Merge branch 'spike/JAL-2040_JAL-2137_phyre2' into features/JAL-2040_JAL-2137_phyre2
[jalview.git] / src / jalview / io / AnnotationFile.java
index 3d42475..eca27a7 100755 (executable)
@@ -1,29 +1,57 @@
 /*
- * Jalview - A Sequence Alignment Editor and Viewer (Version 2.8)
- * Copyright (C) 2012 J Procter, AM Waterhouse, LM Lui, J Engelhardt, G Barton, M Clamp, S Searle
+ * Jalview - A Sequence Alignment Editor and Viewer ($$Version-Rel$$)
+ * Copyright (C) $$Year-Rel$$ The Jalview Authors
  * 
  * 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 
- * as published by the Free Software Foundation, either version 3 of the License, or (at your option) any later version.
+ * 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 
  * 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/>.
+ * You should have received a copy of the GNU General Public License
+ * along with Jalview.  If not, see <http://www.gnu.org/licenses/>.
+ * The Jalview Authors are detailed in the 'AUTHORS' file.
  */
 package jalview.io;
 
-import java.io.*;
-import java.net.*;
-import java.util.*;
-
-import jalview.analysis.*;
-import jalview.datamodel.*;
-import jalview.schemes.*;
+import jalview.analysis.Conservation;
+import jalview.api.AlignViewportI;
+import jalview.datamodel.AlignmentAnnotation;
+import jalview.datamodel.AlignmentI;
+import jalview.datamodel.Annotation;
+import jalview.datamodel.ColumnSelection;
+import jalview.datamodel.GraphLine;
+import jalview.datamodel.HiddenSequences;
+import jalview.datamodel.PDBEntry;
+import jalview.datamodel.PDBEntry.Type;
+import jalview.datamodel.SequenceGroup;
+import jalview.datamodel.SequenceI;
+import jalview.schemes.ColourSchemeI;
+import jalview.schemes.ColourSchemeProperty;
+import jalview.schemes.UserColourScheme;
+import jalview.structure.StructureSelectionManager;
+
+import java.io.BufferedReader;
+import java.io.File;
+import java.io.FileReader;
+import java.io.IOException;
+import java.io.InputStreamReader;
+import java.io.StringReader;
+import java.net.URL;
+import java.util.ArrayList;
+import java.util.BitSet;
+import java.util.Enumeration;
+import java.util.Hashtable;
+import java.util.List;
+import java.util.Map;
+import java.util.StringTokenizer;
+import java.util.Vector;
 
 public class AnnotationFile
 {
@@ -64,18 +92,18 @@ public class AnnotationFile
   }
 
   /**
-   * convenience method for pre-2.4 feature files which have no view, hidden
+   * convenience method for pre-2.9 annotation files which have no view, hidden
    * columns or hidden row keywords.
    * 
    * @param annotations
    * @param list
    * @param properties
-   * @return feature file as a string.
+   * @return annotation file as a string.
    */
   public String printAnnotations(AlignmentAnnotation[] annotations,
           List<SequenceGroup> list, Hashtable properties)
   {
-    return printAnnotations(annotations, list, properties, null);
+    return printAnnotations(annotations, list, properties, null, null, null);
 
   }
 
@@ -116,10 +144,56 @@ public class AnnotationFile
    * @return annotation file
    */
   public String printAnnotations(AlignmentAnnotation[] annotations,
-          List<SequenceGroup> list, Hashtable properties, ViewDef[] views)
+          List<SequenceGroup> list, Hashtable properties,
+          ColumnSelection cs, AlignmentI al, ViewDef view)
   {
-    // TODO: resolve views issue : annotationFile could contain visible region,
-    // or full data + hidden region specifications for a view.
+    if (view != null)
+    {
+      if (view.viewname != null)
+      {
+        text.append("VIEW_DEF\t" + view.viewname + "\n");
+      }
+      if (list == null)
+      {
+        list = view.visibleGroups;
+      }
+      if (cs == null)
+      {
+        cs = view.hiddencols;
+      }
+      if (al == null)
+      {
+        // add hidden rep sequences.
+      }
+    }
+    // first target - store and restore all settings for a view.
+    if (al != null && al.hasSeqrep())
+    {
+      text.append("VIEW_SETREF\t" + al.getSeqrep().getName() + "\n");
+    }
+    if (cs != null && cs.hasHiddenColumns())
+    {
+      text.append("VIEW_HIDECOLS\t");
+      List<int[]> hc = cs.getHiddenColumns();
+      boolean comma = false;
+      for (int[] r : hc)
+      {
+        if (!comma)
+        {
+          comma = true;
+        }
+        else
+        {
+          text.append(",");
+        }
+        text.append(r[0]);
+        text.append("-");
+        text.append(r[1]);
+      }
+      text.append("\n");
+    }
+    // TODO: allow efficient recovery of annotation data shown in several
+    // different views
     if (annotations != null)
     {
       boolean oneColour = true;
@@ -131,7 +205,8 @@ public class AnnotationFile
       StringBuffer colours = new StringBuffer();
       StringBuffer graphLine = new StringBuffer();
       StringBuffer rowprops = new StringBuffer();
-      Hashtable graphGroup = new Hashtable();
+      Hashtable<Integer, String> graphGroup = new Hashtable<Integer, String>();
+      Hashtable<Integer, Object[]> graphGroup_refs = new Hashtable<Integer, Object[]>();
       BitSet graphGroupSeen = new BitSet();
 
       java.awt.Color color;
@@ -140,7 +215,10 @@ public class AnnotationFile
       {
         row = annotations[i];
 
-        if (!row.visible && !row.hasScore() && !(row.graphGroup>-1 && graphGroupSeen.get(row.graphGroup)))
+        if (!row.visible
+                && !row.hasScore()
+                && !(row.graphGroup > -1 && graphGroupSeen
+                        .get(row.graphGroup)))
         {
           continue;
         }
@@ -148,53 +226,12 @@ public class AnnotationFile
         color = null;
         oneColour = true;
 
-        if (row.sequenceRef == null)
-        {
-          if (refSeq != null)
-          {
-            text.append(newline);
-            text.append("SEQUENCE_REF\tALIGNMENT");
-            text.append(newline);
-          }
-
-          refSeq = null;
-        }
-
-        else
-        {
-          if (refSeq == null || refSeq != row.sequenceRef)
-          {
-            refSeq = row.sequenceRef;
-            text.append(newline);
-            text.append("SEQUENCE_REF\t");
-            text.append(refSeq.getName());
-            text.append(newline);
-          }
-        }
+        // mark any sequence references for the row
+        writeSequence_Ref(refSeq, row.sequenceRef);
+        refSeq = row.sequenceRef;
         // mark any group references for the row
-        if (row.groupRef == null)
-        {
-
-          if (refGroup != null)
-          {
-            text.append(newline);
-            text.append("GROUP_REF\tALIGNMENT");
-            text.append(newline);
-          }
-
-          refGroup = null;
-        }
-        else
-        {
-          if (refGroup == null || refGroup != row.groupRef)
-          {
-            refGroup = row.groupRef;
-            text.append(newline);
-            text.append("GROUP_REF\t");
-            text.append(refGroup.getName());
-            text.append(newline);
-          }
-        }
+        writeGroup_Ref(refGroup, row.groupRef);
+        refGroup = row.groupRef;
 
         boolean hasGlyphs = row.hasIcons, hasLabels = row.hasText, hasValues = row.hasScore, hasText = false;
         // lookahead to check what the annotation row object actually contains.
@@ -208,7 +245,7 @@ public class AnnotationFile
                     && row.annotations[j].displayCharacter.length() > 0 && !row.annotations[j].displayCharacter
                     .equals(" "));
             hasGlyphs |= (row.annotations[j].secondaryStructure != 0 && row.annotations[j].secondaryStructure != ' ');
-            hasValues |= (row.annotations[j].value != Float.NaN); // NaNs can't
+            hasValues |= (!Float.isNaN(row.annotations[j].value)); // NaNs can't
             // be
             // rendered..
             hasText |= (row.annotations[j].description != null && row.annotations[j].description
@@ -253,13 +290,15 @@ public class AnnotationFile
           if (row.graphGroup > -1)
           {
             graphGroupSeen.set(row.graphGroup);
-            String key = String.valueOf(row.graphGroup);
+            Integer key = new Integer(row.graphGroup);
             if (graphGroup.containsKey(key))
             {
               graphGroup.put(key, graphGroup.get(key) + "\t" + row.label);
+
             }
             else
             {
+              graphGroup_refs.put(key, new Object[] { refSeq, refGroup });
               graphGroup.put(key, row.label);
             }
           }
@@ -295,13 +334,13 @@ public class AnnotationFile
             }
             if (hasValues)
             {
-              if (row.annotations[j].value != Float.NaN)
+              if (!Float.isNaN(row.annotations[j].value))
               {
                 text.append(comma + row.annotations[j].value);
               }
               else
               {
-                System.err.println("Skipping NaN - not valid value.");
+                // System.err.println("Skipping NaN - not valid value.");
                 text.append(comma + 0f);// row.annotations[j].value);
               }
               comma = ",";
@@ -351,7 +390,9 @@ public class AnnotationFile
         }
 
         if (row.hasScore())
+        {
           text.append("\t" + row.score);
+        }
 
         text.append(newline);
 
@@ -376,21 +417,40 @@ public class AnnotationFile
           rowprops.append(row.centreColLabels);
           rowprops.append(newline);
         }
+        if (graphLine.length() > 0)
+        {
+          text.append(graphLine.toString());
+          graphLine.setLength(0);
+        }
       }
 
       text.append(newline);
 
       text.append(colours.toString());
-      text.append(graphLine.toString());
       if (graphGroup.size() > 0)
       {
-        Enumeration en = graphGroup.elements();
-        while (en.hasMoreElements())
+        SequenceI oldRefSeq = refSeq;
+        SequenceGroup oldRefGroup = refGroup;
+        for (Map.Entry<Integer, String> combine_statement : graphGroup
+                .entrySet())
         {
+          Object[] seqRefAndGroup = graphGroup_refs.get(combine_statement
+                  .getKey());
+
+          writeSequence_Ref(refSeq, (SequenceI) seqRefAndGroup[0]);
+          refSeq = (SequenceI) seqRefAndGroup[0];
+
+          writeGroup_Ref(refGroup, (SequenceGroup) seqRefAndGroup[1]);
+          refGroup = (SequenceGroup) seqRefAndGroup[1];
           text.append("COMBINE\t");
-          text.append(en.nextElement());
+          text.append(combine_statement.getValue());
           text.append(newline);
         }
+        writeSequence_Ref(refSeq, oldRefSeq);
+        refSeq = oldRefSeq;
+
+        writeGroup_Ref(refGroup, oldRefGroup);
+        refGroup = oldRefGroup;
       }
       text.append(rowprops.toString());
     }
@@ -415,12 +475,71 @@ public class AnnotationFile
         text.append(properties.get(key));
       }
       // TODO: output alignment visualization settings here if required
-
+      // iterate through one or more views, defining, marking columns and rows
+      // as visible/hidden, and emmitting view properties.
+      // View specific annotation is
     }
 
     return text.toString();
   }
 
+  private Object writeGroup_Ref(SequenceGroup refGroup,
+          SequenceGroup next_refGroup)
+  {
+    if (next_refGroup == null)
+    {
+
+      if (refGroup != null)
+      {
+        text.append(newline);
+        text.append("GROUP_REF\t");
+        text.append("ALIGNMENT");
+        text.append(newline);
+      }
+      return true;
+    }
+    else
+    {
+      if (refGroup == null || refGroup != next_refGroup)
+      {
+        text.append(newline);
+        text.append("GROUP_REF\t");
+        text.append(next_refGroup.getName());
+        text.append(newline);
+        return true;
+      }
+    }
+    return false;
+  }
+
+  private boolean writeSequence_Ref(SequenceI refSeq, SequenceI next_refSeq)
+  {
+
+    if (next_refSeq == null)
+    {
+      if (refSeq != null)
+      {
+        text.append(newline);
+        text.append("SEQUENCE_REF\t");
+        text.append("ALIGNMENT");
+        text.append(newline);
+        return true;
+      }
+    }
+    else
+    {
+      if (refSeq == null || refSeq != next_refSeq)
+      {
+        text.append(newline);
+        text.append("SEQUENCE_REF\t");
+        text.append(next_refSeq.getName());
+        text.append(newline);
+        return true;
+      }
+    }
+    return false;
+  }
+
   public void printGroups(List<SequenceGroup> list)
   {
     SequenceI seqrep = null;
@@ -545,24 +664,68 @@ public class AnnotationFile
 
   String refSeqId = null;
 
+  public boolean annotateAlignmentView(AlignViewportI viewport,
+          String file, String protocol)
+  {
+    ColumnSelection colSel = viewport.getColumnSelection();
+    if (colSel == null)
+    {
+      colSel = new ColumnSelection();
+    }
+    boolean rslt = readAnnotationFile(viewport.getAlignment(), colSel,
+            file, protocol);
+    if (rslt && (colSel.hasSelectedColumns() || colSel.hasHiddenColumns()))
+    {
+      viewport.setColumnSelection(colSel);
+    }
+
+    return rslt;
+  }
+
   public boolean readAnnotationFile(AlignmentI al, String file,
           String protocol)
   {
+    return readAnnotationFile(al, null, file, protocol);
+  }
+
+  public boolean readAnnotationFile(AlignmentI al, ColumnSelection colSel,
+          String file, String protocol)
+  {
+    baseUri = "";
     BufferedReader in = null;
     try
     {
       if (protocol.equals(AppletFormatAdapter.FILE))
       {
         in = new BufferedReader(new FileReader(file));
+        baseUri = new File(file).getParent();
+        if (baseUri == null)
+        {
+          baseUri = "";
+        }
+        else
+        {
+          baseUri += "/";
+        }
       }
       else if (protocol.equals(AppletFormatAdapter.URL))
       {
         URL url = new URL(file);
         in = new BufferedReader(new InputStreamReader(url.openStream()));
+        String bs = url.toExternalForm();
+        baseUri = bs.substring(0, bs.indexOf(url.getHost())
+                + url.getHost().length());
+        baseUri += url.toURI().getPath();
+        if (baseUri.lastIndexOf("/") > -1)
+        {
+          baseUri = baseUri.substring(0, baseUri.lastIndexOf("/")) + "/";
+        }
       }
       else if (protocol.equals(AppletFormatAdapter.PASTE))
       {
         in = new BufferedReader(new StringReader(file));
+        // TODO - support mimencoded PDBs for a paste.. ?
+        baseUri = "";
       }
       else if (protocol.equals(AppletFormatAdapter.CLASSLOADER))
       {
@@ -570,34 +733,48 @@ public class AnnotationFile
         if (is != null)
         {
           in = new BufferedReader(new java.io.InputStreamReader(is));
+          // TODO: this probably doesn't work for classloader - needs a test
+          baseUri = new File("/" + file).getParent() + "/";
         }
       }
       if (in != null)
       {
-        return parseAnnotationFrom(al, in);
+        return parseAnnotationFrom(al, colSel, in);
       }
 
     } catch (Exception ex)
     {
       ex.printStackTrace();
       System.out.println("Problem reading annotation file: " + ex);
-      if (nlinesread>0) {
-        System.out.println("Last read line "+nlinesread+": '"+lastread+"' (first 80 chars) ...");
+      if (nlinesread > 0)
+      {
+        System.out.println("Last read line " + nlinesread + ": '"
+                + lastread + "' (first 80 chars) ...");
       }
       return false;
     }
     return false;
   }
-  long nlinesread=0;
-  String lastread="";
-  public boolean parseAnnotationFrom(AlignmentI al, BufferedReader in)
-          throws Exception
+
+  long nlinesread = 0;
+
+  String lastread = "";
+
+  /**
+   * used for resolving absolute references to resources relative to
+   * annotationFile location
+   */
+  String baseUri = "";
+
+  private static String GRAPHLINE = "GRAPHLINE", COMBINE = "COMBINE",
+          STRUCTMODEL = "STRUCTMODEL";
+
+  public boolean parseAnnotationFrom(AlignmentI al, ColumnSelection colSel,
+          BufferedReader in) throws Exception
   {
     nlinesread = 0;
-    /**
-     * number of combine statements in this annotation file. Used to create new groups for combined annotation graphs without disturbing existing ones
-     */
-    int combinecount = 0;
+    ArrayList<Object[]> combineAnnotation_calls = new ArrayList<Object[]>();
+    ArrayList<Object[]> deferredAnnotation_calls = new ArrayList<Object[]>();
     boolean modified = false;
     String groupRef = null;
     Hashtable groupRefRows = new Hashtable();
@@ -642,7 +819,8 @@ public class AnnotationFile
       boolean jvAnnotationFile = false;
       while ((line = in.readLine()) != null)
       {
-        nlinesread++;lastread = new String(line);
+        nlinesread++;
+        lastread = new String(line);
         if (line.indexOf("#") == 0)
         {
           continue;
@@ -663,7 +841,8 @@ public class AnnotationFile
 
       while ((line = in.readLine()) != null)
       {
-        nlinesread++;lastread = new String(line);
+        nlinesread++;
+        lastread = new String(line);
         if (line.indexOf("#") == 0
                 || line.indexOf("JALVIEW_ANNOTATION") > -1
                 || line.length() == 0)
@@ -681,9 +860,11 @@ public class AnnotationFile
           continue;
         }
 
-        else if (token.equalsIgnoreCase("COMBINE"))
+        else if (token.equalsIgnoreCase(COMBINE))
         {
-          combineAnnotations(al, combinecount++, st);
+          // keep a record of current state and resolve groupRef at end
+          combineAnnotation_calls
+                  .add(new Object[] { st, refSeq, groupRef });
           modified = true;
           continue;
         }
@@ -693,9 +874,11 @@ public class AnnotationFile
           modified = true;
           continue;
         }
-        else if (token.equalsIgnoreCase("GRAPHLINE"))
+        else if (token.equalsIgnoreCase(GRAPHLINE))
         {
-          addLine(al, st);
+          // resolve at end
+          deferredAnnotation_calls.add(new Object[] { GRAPHLINE, st,
+              refSeq, groupRef });
           modified = true;
           continue;
         }
@@ -755,6 +938,7 @@ public class AnnotationFile
         else if (token.equalsIgnoreCase("SEQUENCE_GROUP"))
         {
           addGroup(al, st);
+          modified = true;
           continue;
         }
 
@@ -777,7 +961,95 @@ public class AnnotationFile
           modified = true;
           continue;
         }
-
+        // else if (token.equalsIgnoreCase("VIEW_DEF"))
+        // {
+        // addOrSetView(al,st);
+        // modified = true;
+        // continue;
+        // }
+        else if (token.equalsIgnoreCase("VIEW_SETREF"))
+        {
+          if (refSeq != null)
+          {
+            al.setSeqrep(refSeq);
+          }
+          modified = true;
+          continue;
+        }
+        else if (token.equalsIgnoreCase("VIEW_HIDECOLS"))
+        {
+          if (st.hasMoreTokens())
+          {
+            if (colSel == null)
+            {
+              colSel = new ColumnSelection();
+            }
+            parseHideCols(colSel, st.nextToken());
+          }
+          modified = true;
+          continue;
+        }
+        else if (token.equalsIgnoreCase("HIDE_INSERTIONS"))
+        {
+          SequenceI sr = refSeq == null ? al.getSeqrep() : refSeq;
+          if (sr == null)
+          {
+            sr = al.getSequenceAt(0);
+          }
+          if (sr != null)
+          {
+            if (colSel == null)
+            {
+              System.err
+                      .println("Cannot process HIDE_INSERTIONS without an alignment view: Ignoring line: "
+                              + line);
+            }
+            else
+            {
+              // consider deferring this till after the file has been parsed ?
+              colSel.hideInsertionsFor(sr);
+            }
+          }
+          modified = true;
+          continue;
+        }
+        else if (token.equalsIgnoreCase(STRUCTMODEL))
+        {
+          boolean failedtoadd = true;
+          // expect
+          // STRUCTMODEL <QUERYID> <TemplateID> <URL to model> <URL to
+          // alignment>
+          if (st.hasMoreTokens()) {
+            refSeq = al.findName(refSeqId = st.nextToken());
+            if (refSeq == null)
+            {
+              System.err.println("Couldn't locate " + refSeqId
+                      + " in the alignment for STRUCTMODEL");
+              refSeqId = null;
+            }
+            else
+            {
+              String tempId = st.nextToken();
+              String urlToModel = st.nextToken();
+              String urlToPairwise = st.hasMoreTokens() ? st.nextToken()
+                      : "";
+              if (add_structmodel(al, refSeq, tempId, urlToModel,
+                      urlToPairwise))
+              {
+                failedtoadd = false;
+              }
+            }
+          }
+          if (failedtoadd)
+          {
+            System.err
+                    .println("Need <QueryId> <TemplateId> <URL to Model> [<URL to pairwise alignment>] as tab separated fields after "
+                            + STRUCTMODEL);
+          } else {
+            modified = true;
+          }
+          continue;
+        }
         // Parse out the annotation row
         graphStyle = AlignmentAnnotation.getGraphValueFromString(token);
         label = st.nextToken();
@@ -795,7 +1067,9 @@ public class AnnotationFile
           {
             description = line;
             if (st.hasMoreTokens())
+            {
               line = st.nextToken();
+            }
           }
 
           if (st.hasMoreTokens())
@@ -898,7 +1172,8 @@ public class AnnotationFile
         // and set modification flag
         modified = true;
       }
-      // Finally, resolve the groupRefs
+      // Resolve the groupRefs
+      Hashtable<String, SequenceGroup> groupRefLookup = new Hashtable<String, SequenceGroup>();
       Enumeration en = groupRefRows.keys();
 
       while (en.hasMoreElements())
@@ -922,6 +1197,7 @@ public class AnnotationFile
             {
               matched = true;
               Vector rowset = (Vector) groupRefRows.get(groupRef);
+              groupRefLookup.put(groupRef, theGroup);
               if (rowset != null && rowset.size() > 0)
               {
                 AlignmentAnnotation alan = null;
@@ -936,10 +1212,178 @@ public class AnnotationFile
         }
         ((Vector) groupRefRows.get(groupRef)).removeAllElements();
       }
+      // process any deferred attribute settings for each context
+      for (Object[] _deferred_args : deferredAnnotation_calls)
+      {
+        if (_deferred_args[0] == GRAPHLINE)
+        {
+          addLine(al,
+                  (StringTokenizer) _deferred_args[1], // st
+                  (SequenceI) _deferred_args[2], // refSeq
+                  (_deferred_args[3] == null) ? null : groupRefLookup
+                          .get(_deferred_args[3]) // the reference
+                                                  // group, or null
+          );
+        }
+      }
+
+      // finally, combine all the annotation rows within each context.
+      /**
+       * number of combine statements in this annotation file. Used to create
+       * new groups for combined annotation graphs without disturbing existing
+       * ones
+       */
+      int combinecount = 0;
+      for (Object[] _combine_args : combineAnnotation_calls)
+      {
+        combineAnnotations(al,
+                ++combinecount,
+                (StringTokenizer) _combine_args[0], // st
+                (SequenceI) _combine_args[1], // refSeq
+                (_combine_args[2] == null) ? null : groupRefLookup
+                        .get(_combine_args[2]) // the reference group,
+                                               // or null
+        );
+      }
     }
     return modified;
   }
 
+  /**
+   * resolve a structural model and generate and add an alignment sequence for
+   * it
+   * 
+   * @param refSeq2
+   * @param tempId
+   * @param urlToModel
+   * @param urlToPairwise
+   * @return true if model and sequence was added
+   */
+  private boolean add_structmodel(AlignmentI al, SequenceI refSeq2, String tempId,
+          String urlToModel, String urlToPairwise)
+  {
+    String warningMessage = null, modelPath = null, modelProt = null, aliPath = null, aliProt = null;
+    boolean added = false;
+    try {
+      // locate tempId. if it exists, will need to merge, otherwise:
+      SequenceI templateSeq = al.findName(tempId);
+      // 1. load urlToModel
+      modelPath = resolveAbsolute(urlToModel);
+      modelProt = AppletFormatAdapter.checkProtocol(modelPath);
+      // need to transfer to local temp file ?
+      PDBEntry modelpe = new PDBEntry(tempId, null, Type.FILE, modelPath);
+      PDBEntry templpe = new PDBEntry(tempId, null, Type.FILE, modelPath);
+      refSeq2.addPDBId(modelpe);
+      aliPath = resolveAbsolute(urlToPairwise);
+      aliProt = AppletFormatAdapter.checkProtocol(aliPath);
+      // 2. load urlToPairwise
+      AlignmentI pwa = new AppletFormatAdapter().readFile(aliPath, aliProt,
+              "FASTA");
+      SequenceI qPw = null, tPw = null;
+      if (pwa != null)
+      {
+        // resolve query/template sequences in provided alignment
+        qPw = pwa.findName(refSeqId);
+        tPw = pwa.findName(tempId);
+      }
+      if (false)
+      // (qPw != null && tPw != null)
+      {
+        // not yet complete
+        // refalQ vvva--addrvvvtttddd
+        // refalT ---aaaa---sss---ddd
+        // profalQ ---v-v-v-a.-.-a---dd--r--vvvtt--td--dd
+        // profalT ---.-.-.-aa-a-a---..--.--sss..--.d--dd
+        // Pragmatic solution here:
+        // Map templpe onto refalT only where refalT and refalQ are both
+        // non-gaps
+
+        // columns for start..end in refSeq2
+        int[] gapMap = refSeq2.gapMap();
+        // insert gaps in tPw
+        int curi = 0, width = refSeq2.getLength();
+        // TBC
+      }
+      else
+      {
+        // assume 1:1 - so synthesise sequences to use to construct mapping
+        StructureFile pdbf = StructureSelectionManager
+                .getStructureSelectionManager().setMapping(false,
+                        new SequenceI[] { refSeq2.getDatasetSequence() },
+                        null, modelPath, modelProt);
+        refSeq2.getDatasetSequence().addPDBId(modelpe);
+        if (templateSeq == null && tPw != null)
+        {
+          tPw.createDatasetSequence();
+          tPw.getDatasetSequence().addPDBId(templpe); // needs to set mapping based on model yet...
+          al.addSequence(tPw);
+          added = true;
+        }
+      }
+    // 3. pad/insert gaps in urlToPairwise according to gaps already present in
+    // refSeq2
+    // 4. add padded tempId sequence to alignment
+    // 4. associate urlToModel with refSeq2 based on position map provided by
+    // urlToPairwise
+    // 5. associate urlToModel with tempId based on position map provided by
+    // urlToPairwise
+    // start a thread to load urlToModel and process/annotate sequences.
+    } catch (IOException x)
+    {
+      warningMessage = x.toString();
+    } finally {
+      if (warningMessage !=null)
+      {
+        System.err.println("Warnings whilst processing STRUCTMODEL: "+warningMessage);
+      }
+      return added;
+    }
+  }
+
+  private String resolveAbsolute(String relURI)
+  {
+    if (relURI.indexOf(":/") > -1 || relURI.startsWith("/")
+            || "".equals(baseUri) || relURI.startsWith(baseUri))
+    {
+      return relURI;
+    }
+    return baseUri + relURI;
+  }
+
+  private void parseHideCols(ColumnSelection colSel, String nextToken)
+  {
+    StringTokenizer inval = new StringTokenizer(nextToken, ",");
+    while (inval.hasMoreTokens())
+    {
+      String range = inval.nextToken().trim();
+      int from, to = range.indexOf("-");
+      if (to == -1)
+      {
+        from = to = Integer.parseInt(range);
+        if (from >= 0)
+        {
+          colSel.hideColumns(from, to);
+        }
+      }
+      else
+      {
+        from = Integer.parseInt(range.substring(0, to));
+        if (to < range.length() - 1)
+        {
+          to = Integer.parseInt(range.substring(to + 1));
+        }
+        else
+        {
+          to = from;
+        }
+        if (from > 0 && to >= from)
+        {
+          colSel.hideColumns(from, to);
+        }
+      }
+    }
+  }
+
   private Object autoAnnotsKey(AlignmentAnnotation annotation,
           SequenceI refSeq, String groupRef)
   {
@@ -1026,8 +1470,8 @@ public class AnnotationFile
         }
       }
       if (hasSymbols
-              && (token.equals("H") || token.equals("E")
-                      || token.equals("S") || token.equals(" ")))
+              && (token.length() == 1 && "()<>[]{}AaBbCcDdEeFfGgHhIiJjKkLlMmNnOoPpQqRrSsTtUuVvWwXxYyZz"
+                      .contains(token)))
       {
         // Either this character represents a helix or sheet
         // or an integer which can be displayed
@@ -1092,30 +1536,35 @@ public class AnnotationFile
     }
   }
 
-  void combineAnnotations(AlignmentI al, int combineCount, StringTokenizer st)
+  void combineAnnotations(AlignmentI al, int combineCount,
+          StringTokenizer st, SequenceI seqRef, SequenceGroup groupRef)
   {
     String group = st.nextToken();
     // First make sure we are not overwriting the graphIndex
-    int graphGroup=0;
+    int graphGroup = 0;
     if (al.getAlignmentAnnotation() != null)
     {
       for (int i = 0; i < al.getAlignmentAnnotation().length; i++)
       {
         AlignmentAnnotation aa = al.getAlignmentAnnotation()[i];
-        if (aa.graphGroup>graphGroup)
+
+        if (aa.graphGroup > graphGroup)
         {
           // try to number graphGroups in order of occurence.
-          graphGroup=aa.graphGroup;
+          graphGroup = aa.graphGroup + 1;
         }
-        if (aa.label.equalsIgnoreCase(group))
+        if (aa.sequenceRef == seqRef && aa.groupRef == groupRef
+                && aa.label.equalsIgnoreCase(group))
         {
-          if (aa.graphGroup>-1)
+          if (aa.graphGroup > -1)
           {
             graphGroup = aa.graphGroup;
-          } else {
-            if (graphGroup >= combineCount)
+          }
+          else
+          {
+            if (graphGroup <= combineCount)
             {
-              graphGroup++;
+              graphGroup = combineCount + 1;
             }
             aa.graphGroup = graphGroup;
           }
@@ -1129,9 +1578,11 @@ public class AnnotationFile
         group = st.nextToken();
         for (int i = 0; i < al.getAlignmentAnnotation().length; i++)
         {
-          if (al.getAlignmentAnnotation()[i].label.equalsIgnoreCase(group))
+          AlignmentAnnotation aa = al.getAlignmentAnnotation()[i];
+          if (aa.sequenceRef == seqRef && aa.groupRef == groupRef
+                  && aa.label.equalsIgnoreCase(group))
           {
-            al.getAlignmentAnnotation()[i].graphGroup = graphGroup;
+            aa.graphGroup = graphGroup;
             break;
           }
         }
@@ -1144,19 +1595,29 @@ public class AnnotationFile
     }
   }
 
-  void addLine(AlignmentI al, StringTokenizer st)
+  void addLine(AlignmentI al, StringTokenizer st, SequenceI seqRef,
+          SequenceGroup groupRef)
   {
     String group = st.nextToken();
     AlignmentAnnotation annotation = null, alannot[] = al
             .getAlignmentAnnotation();
+    float value = new Float(st.nextToken()).floatValue();
+    String label = st.hasMoreTokens() ? st.nextToken() : null;
+    java.awt.Color colour = null;
+    if (st.hasMoreTokens())
+    {
+      UserColourScheme ucs = new UserColourScheme(st.nextToken());
+      colour = ucs.findColour('A');
+    }
     if (alannot != null)
     {
       for (int i = 0; i < alannot.length; i++)
       {
-        if (alannot[i].label.equalsIgnoreCase(group))
+        if (alannot[i].label.equalsIgnoreCase(group)
+                && (seqRef == null || alannot[i].sequenceRef == seqRef)
+                && (groupRef == null || alannot[i].groupRef == groupRef))
         {
-          annotation = alannot[i];
-          break;
+          alannot[i].setThreshold(new GraphLine(value, label, colour));
         }
       }
     }
@@ -1164,16 +1625,6 @@ public class AnnotationFile
     {
       return;
     }
-    float value = new Float(st.nextToken()).floatValue();
-    String label = st.hasMoreTokens() ? st.nextToken() : null;
-    java.awt.Color colour = null;
-    if (st.hasMoreTokens())
-    {
-      UserColourScheme ucs = new UserColourScheme(st.nextToken());
-      colour = ucs.findColour('A');
-    }
-
-    annotation.setThreshold(new GraphLine(value, label, colour));
   }
 
   void addGroup(AlignmentI al, StringTokenizer st)
@@ -1357,9 +1808,9 @@ public class AnnotationFile
         else if (key.equalsIgnoreCase("consThreshold"))
         {
           sg.cs.setConservationInc(Integer.parseInt(value));
-          Conservation c = new Conservation("Group",
-                  ResidueProperties.propHash, 3, sg.getSequences(null),
-                  sg.getStartRes(), sg.getEndRes() + 1);
+          Conservation c = new Conservation("Group", 3,
+                  sg.getSequences(null), sg.getStartRes(),
+                  sg.getEndRes() + 1);
 
           c.calculate();
           c.verdict(false, 25); // TODO: refer to conservation percent threshold
@@ -1479,6 +1930,10 @@ public class AnnotationFile
    */
   public String printCSVAnnotations(AlignmentAnnotation[] annotations)
   {
+    if (annotations == null)
+    {
+      return "";
+    }
     StringBuffer sp = new StringBuffer();
     for (int i = 0; i < annotations.length; i++)
     {
@@ -1503,4 +1958,19 @@ public class AnnotationFile
     }
     return sp.toString();
   }
+
+  public String printAnnotationsForView(AlignViewportI viewport)
+  {
+    return printAnnotations(viewport.isShowAnnotation() ? viewport
+            .getAlignment().getAlignmentAnnotation() : null, viewport
+            .getAlignment().getGroups(), viewport.getAlignment()
+            .getProperties(), viewport.getColumnSelection(),
+            viewport.getAlignment(), null);
+  }
+
+  public String printAnnotationsForAlignment(AlignmentI al)
+  {
+    return printAnnotations(al.getAlignmentAnnotation(), al.getGroups(),
+            al.getProperties(), null, al, null);
+  }
 }