JAL-1620 version bump and release notes
[jalview.git] / src / jalview / structure / StructureSelectionManager.java
index c0ab6f9..e9aa575 100644 (file)
 /*
- * Jalview - A Sequence Alignment Editor and Viewer
- * Copyright (C) 2007 AM Waterhouse, J Procter, G Barton, M Clamp, S Searle
- *
- * This program 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 2
+ * Jalview - A Sequence Alignment Editor and Viewer (Version 2.8.2b1)
+ * Copyright (C) 2014 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.
- *
- * This program 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.
- *
+ *  
+ * 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 this program; if not, write to the Free Software
- * Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA  02110-1301, USA
+ * along with Jalview.  If not, see <http://www.gnu.org/licenses/>.
+ * The Jalview Authors are detailed in the 'AUTHORS' file.
  */
 package jalview.structure;
 
-import java.io.*;
-import java.util.*;
+import jalview.analysis.AlignSeq;
+import jalview.api.StructureSelectionManagerProvider;
+import jalview.datamodel.AlignedCodonFrame;
+import jalview.datamodel.AlignmentAnnotation;
+import jalview.datamodel.Annotation;
+import jalview.datamodel.PDBEntry;
+import jalview.datamodel.SearchResults;
+import jalview.datamodel.SequenceI;
+import jalview.io.AppletFormatAdapter;
+import jalview.util.MessageManager;
 
-import MCview.*;
-import jalview.analysis.*;
-import jalview.datamodel.*;
+import java.io.PrintStream;
+import java.util.Enumeration;
+import java.util.HashMap;
+import java.util.IdentityHashMap;
+import java.util.Vector;
+
+import MCview.Atom;
+import MCview.PDBChain;
 
 public class StructureSelectionManager
 {
-  static StructureSelectionManager instance;
+  static IdentityHashMap<StructureSelectionManagerProvider, StructureSelectionManager> instances;
+
   StructureMapping[] mappings;
-  Hashtable mappingData = new Hashtable();
 
-  public static StructureSelectionManager getStructureSelectionManager()
+  private boolean processSecondaryStructure = false,
+          secStructServices = false, addTempFacAnnot = false;
+
+  /**
+   * @return true if will try to use external services for processing secondary
+   *         structure
+   */
+  public boolean isSecStructServices()
   {
-    if (instance == null)
+    return secStructServices;
+  }
+
+  /**
+   * control use of external services for processing secondary structure
+   * 
+   * @param secStructServices
+   */
+  public void setSecStructServices(boolean secStructServices)
+  {
+    this.secStructServices = secStructServices;
+  }
+
+  /**
+   * flag controlling addition of any kind of structural annotation
+   * 
+   * @return true if temperature factor annotation will be added
+   */
+  public boolean isAddTempFacAnnot()
+  {
+    return addTempFacAnnot;
+  }
+
+  /**
+   * set flag controlling addition of structural annotation
+   * 
+   * @param addTempFacAnnot
+   */
+  public void setAddTempFacAnnot(boolean addTempFacAnnot)
+  {
+    this.addTempFacAnnot = addTempFacAnnot;
+  }
+
+  /**
+   * 
+   * @return if true, the structure manager will attempt to add secondary
+   *         structure lines for unannotated sequences
+   */
+
+  public boolean isProcessSecondaryStructure()
+  {
+    return processSecondaryStructure;
+  }
+
+  /**
+   * Control whether structure manager will try to annotate mapped sequences
+   * with secondary structure from PDB data.
+   * 
+   * @param enable
+   */
+  public void setProcessSecondaryStructure(boolean enable)
+  {
+    processSecondaryStructure = enable;
+  }
+
+  /**
+   * debug function - write all mappings to stdout
+   */
+  public void reportMapping()
+  {
+    if (mappings == null)
+    {
+      System.err.println("reportMapping: No PDB/Sequence mappings.");
+    }
+    else
     {
-      instance = new StructureSelectionManager();
+      System.err.println("reportMapping: There are " + mappings.length
+              + " mappings.");
+      for (int m = 0; m < mappings.length; m++)
+      {
+        System.err.println("mapping " + m + " : " + mappings[m].pdbfile);
+      }
     }
+  }
+
+  /**
+   * map between the PDB IDs (or structure identifiers) used by Jalview and the
+   * absolute filenames for PDB data that corresponds to it
+   */
+  HashMap<String, String> pdbIdFileName = new HashMap<String, String>(),
+          pdbFileNameId = new HashMap<String, String>();
 
+  public void registerPDBFile(String idForFile, String absoluteFile)
+  {
+    pdbIdFileName.put(idForFile, absoluteFile);
+    pdbFileNameId.put(absoluteFile, idForFile);
+  }
+
+  public String findIdForPDBFile(String idOrFile)
+  {
+    String id = pdbFileNameId.get(idOrFile);
+    return id;
+  }
+
+  public String findFileForPDBId(String idOrFile)
+  {
+    String id = pdbIdFileName.get(idOrFile);
+    return id;
+  }
+
+  public boolean isPDBFileRegistered(String idOrFile)
+  {
+    return pdbFileNameId.containsKey(idOrFile)
+            || pdbIdFileName.containsKey(idOrFile);
+  }
+
+  private static StructureSelectionManager nullProvider = null;
+
+  public static StructureSelectionManager getStructureSelectionManager(
+          StructureSelectionManagerProvider context)
+  {
+    if (context == null)
+    {
+      if (nullProvider == null)
+      {
+        if (instances != null)
+        {
+          throw new Error(MessageManager.getString("error.implementation_error_structure_selection_manager_null"),
+                  new NullPointerException(MessageManager.getString("exception.ssm_context_is_null")));
+        }
+        else
+        {
+          nullProvider = new StructureSelectionManager();
+        }
+        return nullProvider;
+      }
+    }
+    if (instances == null)
+    {
+      instances = new java.util.IdentityHashMap<StructureSelectionManagerProvider, StructureSelectionManager>();
+    }
+    StructureSelectionManager instance = instances.get(context);
+    if (instance == null)
+    {
+      if (nullProvider != null)
+      {
+        instance = nullProvider;
+      }
+      else
+      {
+        instance = new StructureSelectionManager();
+      }
+      instances.put(context, instance);
+    }
     return instance;
   }
 
+  /**
+   * flag controlling whether SeqMappings are relayed from received sequence
+   * mouse over events to other sequences
+   */
+  boolean relaySeqMappings = true;
+
+  /**
+   * Enable or disable relay of seqMapping events to other sequences. You might
+   * want to do this if there are many sequence mappings and the host computer
+   * is slow
+   * 
+   * @param relay
+   */
+  public void setRelaySeqMappings(boolean relay)
+  {
+    relaySeqMappings = relay;
+  }
+
+  /**
+   * get the state of the relay seqMappings flag.
+   * 
+   * @return true if sequence mouse overs are being relayed to other mapped
+   *         sequences
+   */
+  public boolean isRelaySeqMappingsEnabled()
+  {
+    return relaySeqMappings;
+  }
+
   Vector listeners = new Vector();
+
+  /**
+   * register a listener for alignment sequence mouseover events
+   * 
+   * @param svl
+   */
   public void addStructureViewerListener(Object svl)
   {
     if (!listeners.contains(svl))
@@ -65,74 +261,177 @@ public class StructureSelectionManager
     return null;
   }
 
-  /*
-     There will be better ways of doing this in the future, for now we'll use
-     the tried and tested MCview pdb mapping
+  /**
+   * Import structure data and register a structure mapping for broadcasting
+   * colouring, mouseovers and selection events (convenience wrapper).
+   * 
+   * @param sequence
+   *          - one or more sequences to be mapped to pdbFile
+   * @param targetChains
+   *          - optional chain specification for mapping each sequence to pdb
+   *          (may be nill, individual elements may be nill)
+   * @param pdbFile
+   *          - structure data resource
+   * @param protocol
+   *          - how to resolve data from resource
+   * @return null or the structure data parsed as a pdb file
    */
   synchronized public MCview.PDBfile setMapping(SequenceI[] sequence,
-                           String pdbFile,
-                           String protocol)
+          String[] targetChains, String pdbFile, String protocol)
   {
+    return setMapping(true, sequence, targetChains, pdbFile, protocol);
+  }
+
+  /**
+   * create sequence structure mappings between each sequence and the given
+   * pdbFile (retrieved via the given protocol).
+   * 
+   * @param forStructureView
+   *          when true, record the mapping for use in mouseOvers
+   * 
+   * @param sequence
+   *          - one or more sequences to be mapped to pdbFile
+   * @param targetChains
+   *          - optional chain specification for mapping each sequence to pdb
+   *          (may be nill, individual elements may be nill)
+   * @param pdbFile
+   *          - structure data resource
+   * @param protocol
+   *          - how to resolve data from resource
+   * @return null or the structure data parsed as a pdb file
+   */
+  synchronized public MCview.PDBfile setMapping(boolean forStructureView,
+          SequenceI[] sequence,
+          String[] targetChains, String pdbFile, String protocol)
+  {
+    /*
+     * There will be better ways of doing this in the future, for now we'll use
+     * the tried and tested MCview pdb mapping
+     */
     MCview.PDBfile pdb = null;
-    try
+    boolean parseSecStr = processSecondaryStructure;
+    if (isPDBFileRegistered(pdbFile))
     {
-      pdb = new MCview.PDBfile(pdbFile, protocol);
+      for (SequenceI sq : sequence)
+      {
+        SequenceI ds = sq;
+        while (ds.getDatasetSequence() != null)
+        {
+          ds = ds.getDatasetSequence();
+        }
+        ;
+        if (ds.getAnnotation() != null)
+        {
+          for (AlignmentAnnotation ala : ds.getAnnotation())
+          {
+            // false if any annotation present from this structure
+            // JBPNote this fails for jmol/chimera view because the *file* is
+            // passed, not the structure data ID -
+            if (MCview.PDBfile.isCalcIdForFile(ala,
+                    findIdForPDBFile(pdbFile)))
+            {
+              parseSecStr = false;
+            }
+          }
+        }
+      }
     }
-    catch (Exception ex)
+    try
+    {
+      pdb = new MCview.PDBfile(addTempFacAnnot, parseSecStr,
+              secStructServices, pdbFile, protocol);
+      if (pdb.id != null && pdb.id.trim().length() > 0
+              && AppletFormatAdapter.FILE.equals(protocol))
+      {
+        registerPDBFile(pdb.id.trim(), pdbFile);
+      }
+    } catch (Exception ex)
     {
       ex.printStackTrace();
       return null;
     }
 
+    String targetChain;
     for (int s = 0; s < sequence.length; s++)
     {
-      String targetChain = "";
-
-      if (sequence[s].getName().indexOf("|") > -1)
+      boolean infChain = true;
+      if (targetChains != null && targetChains[s] != null)
+      {
+        infChain = false;
+        targetChain = targetChains[s];
+      }
+      else if (sequence[s].getName().indexOf("|") > -1)
       {
         targetChain = sequence[s].getName().substring(
-            sequence[s].getName().lastIndexOf("|") + 1);
+                sequence[s].getName().lastIndexOf("|") + 1);
+        if (targetChain.length() > 1)
+        {
+          if (targetChain.trim().length() == 0)
+          {
+            targetChain = " ";
+          }
+          else
+          {
+            // not a valid chain identifier
+            targetChain = "";
+          }
+        }
+      }
+      else
+      {
+        targetChain = "";
       }
 
       int max = -10;
       AlignSeq maxAlignseq = null;
       String maxChainId = " ";
       PDBChain maxChain = null;
-
+      boolean first = true;
       for (int i = 0; i < pdb.chains.size(); i++)
       {
+        PDBChain chain = (pdb.chains.elementAt(i));
+        if (targetChain.length() > 0 && !targetChain.equals(chain.id)
+                && !infChain)
+        {
+          continue; // don't try to map chains don't match.
+        }
+        // TODO: correctly determine sequence type for mixed na/peptide
+        // structures
         AlignSeq as = new AlignSeq(sequence[s],
-                                   ( (PDBChain) pdb.chains.elementAt(i)).
-                                   sequence,
-                                   AlignSeq.PEP);
+                pdb.chains.elementAt(i).sequence,
+                pdb.chains.elementAt(i).isNa ? AlignSeq.DNA
+                        : AlignSeq.PEP);
         as.calcScoreMatrix();
         as.traceAlignment();
-        PDBChain chain = ( (PDBChain) pdb.chains.elementAt(i));
 
-        if (as.maxscore > max
-            || (as.maxscore == max && chain.id.equals(targetChain)))
+        if (first || as.maxscore > max
+                || (as.maxscore == max && chain.id.equals(targetChain)))
         {
+          first = false;
           maxChain = chain;
           max = as.maxscore;
           maxAlignseq = as;
           maxChainId = chain.id;
         }
       }
-
+      if (maxChain == null)
+      {
+        continue;
+      }
       final StringBuffer mappingDetails = new StringBuffer();
-      mappingDetails.append("\n\nPDB Sequence is :\nSequence = " +
-                            maxChain.sequence.getSequenceAsString());
-      mappingDetails.append("\nNo of residues = " +
-                            maxChain.residues.
-                            size() +
-                            "\n\n");
+      mappingDetails.append("\n\nPDB Sequence is :\nSequence = "
+              + maxChain.sequence.getSequenceAsString());
+      mappingDetails.append("\nNo of residues = "
+              + maxChain.residues.size() + "\n\n");
       PrintStream ps = new PrintStream(System.out)
       {
+        @Override
         public void print(String x)
         {
           mappingDetails.append(x);
         }
 
+        @Override
         public void println()
         {
           mappingDetails.append("\n");
@@ -141,85 +440,118 @@ public class StructureSelectionManager
 
       maxAlignseq.printAlignment(ps);
 
-      mappingDetails.append("\nPDB start/end " + maxAlignseq.seq2start + " " +
-                            maxAlignseq.seq2end);
+      mappingDetails.append("\nPDB start/end " + maxAlignseq.seq2start
+              + " " + maxAlignseq.seq2end);
       mappingDetails.append("\nSEQ start/end "
-                            + (maxAlignseq.seq1start + sequence[s].getStart() - 1) +
-                            " "
-                            + (maxAlignseq.seq1end + sequence[s].getEnd() - 1));
+              + (maxAlignseq.seq1start + sequence[s].getStart() - 1) + " "
+              + (maxAlignseq.seq1end + sequence[s].getEnd() - 1));
 
       maxChain.makeExactMapping(maxAlignseq, sequence[s]);
-
+      jalview.datamodel.Mapping sqmpping = maxAlignseq
+              .getMappingFromS1(false);
+      jalview.datamodel.Mapping omap = new jalview.datamodel.Mapping(
+              sqmpping.getMap().getInverse());
       maxChain.transferRESNUMFeatures(sequence[s], null);
 
-      int[][] mapping = new int[sequence[s].getEnd() + 2][2];
+      // allocate enough slots to store the mapping from positions in
+      // sequence[s] to the associated chain
+      int[][] mapping = new int[sequence[s].findPosition(sequence[s]
+              .getLength()) + 2][2];
       int resNum = -10000;
       int index = 0;
 
-
       do
       {
         Atom tmp = (Atom) maxChain.atoms.elementAt(index);
         if (resNum != tmp.resNumber && tmp.alignmentMapping != -1)
         {
           resNum = tmp.resNumber;
-          mapping[tmp.alignmentMapping+1][0] = tmp.resNumber;
-          mapping[tmp.alignmentMapping+1][1] = tmp.atomIndex;
+          mapping[tmp.alignmentMapping + 1][0] = tmp.resNumber;
+          mapping[tmp.alignmentMapping + 1][1] = tmp.atomIndex;
         }
 
         index++;
-      }
-      while(index < maxChain.atoms.size());
+      } while (index < maxChain.atoms.size());
 
-      if (mappings == null)
+      if (protocol.equals(jalview.io.AppletFormatAdapter.PASTE))
       {
-        mappings = new StructureMapping[1];
+        pdbFile = "INLINE" + pdb.id;
       }
-      else
+      StructureMapping newMapping = new StructureMapping(sequence[s],
+              pdbFile, pdb.id, maxChainId, mapping,
+              mappingDetails.toString());
+      if (forStructureView)
       {
-        StructureMapping[] tmp = new StructureMapping[mappings.length + 1];
-        System.arraycopy(mappings, 0, tmp, 0, mappings.length);
-        mappings = tmp;
-      }
 
-      if(protocol.equals(jalview.io.AppletFormatAdapter.PASTE))
-        pdbFile = "INLINE"+pdb.id;
+        if (mappings == null)
+        {
+          mappings = new StructureMapping[1];
+        }
+        else
+        {
+          StructureMapping[] tmp = new StructureMapping[mappings.length + 1];
+          System.arraycopy(mappings, 0, tmp, 0, mappings.length);
+          mappings = tmp;
+        }
 
-      mappings[mappings.length - 1]
-          = new StructureMapping(sequence[s], pdbFile, pdb.id, maxChainId,
-                                 mapping, mappingDetails.toString());
+        mappings[mappings.length - 1] = newMapping;
+      }
+      maxChain.transferResidueAnnotation(newMapping, sqmpping);
     }
-    /////////
+    // ///////
 
     return pdb;
   }
 
-  public void removeStructureViewerListener(Object svl, String pdbfile)
+  public void removeStructureViewerListener(Object svl, String[] pdbfiles)
   {
     listeners.removeElement(svl);
+    if (svl instanceof SequenceListener)
+    {
+      for (int i = 0; i < listeners.size(); i++)
+      {
+        if (listeners.elementAt(i) instanceof StructureListener)
+        {
+          ((StructureListener) listeners.elementAt(i))
+                  .releaseReferences(svl);
+        }
+      }
+    }
 
-    boolean removeMapping = true;
-
+    if (pdbfiles == null)
+    {
+      return;
+    }
+    String[] handlepdbs;
+    Vector pdbs = new Vector();
+    for (int i = 0; i < pdbfiles.length; pdbs.addElement(pdbfiles[i++]))
+    {
+      ;
+    }
     StructureListener sl;
     for (int i = 0; i < listeners.size(); i++)
     {
       if (listeners.elementAt(i) instanceof StructureListener)
       {
         sl = (StructureListener) listeners.elementAt(i);
-        if (sl.getPdbFile().equals(pdbfile))
+        handlepdbs = sl.getPdbFile();
+        for (int j = 0; j < handlepdbs.length; j++)
         {
-          removeMapping = false;
-          break;
+          if (pdbs.contains(handlepdbs[j]))
+          {
+            pdbs.removeElement(handlepdbs[j]);
+          }
         }
+
       }
     }
 
-    if (removeMapping && mappings!=null)
+    if (pdbs.size() > 0 && mappings != null)
     {
       Vector tmp = new Vector();
       for (int i = 0; i < mappings.length; i++)
       {
-        if (!mappings[i].pdbfile.equals(pdbfile))
+        if (!pdbs.contains(mappings[i].pdbfile))
         {
           tmp.addElement(mappings[i]);
         }
@@ -232,126 +564,250 @@ public class StructureSelectionManager
 
   public void mouseOverStructure(int pdbResNum, String chain, String pdbfile)
   {
-    SequenceListener sl;
+    if (listeners == null)
+    {
+      // old or prematurely sent event
+      return;
+    }
+    boolean hasSequenceListeners = handlingVamsasMo || seqmappings != null;
+    SearchResults results = null;
+    SequenceI lastseq = null;
+    int lastipos = -1, indexpos;
     for (int i = 0; i < listeners.size(); i++)
     {
       if (listeners.elementAt(i) instanceof SequenceListener)
       {
-        sl = (SequenceListener) listeners.elementAt(i);
-
-        for (int j = 0; j < mappings.length; j++)
+        if (results == null)
         {
-          if (mappings[j].pdbfile.equals(pdbfile) &&
-              mappings[j].pdbchain.equals(chain))
+          results = new SearchResults();
+        }
+        if (mappings != null)
+        {
+          for (int j = 0; j < mappings.length; j++)
           {
-            sl.highlightSequence(mappings[j].sequence,
-                                 mappings[j].getSeqPos(pdbResNum));
+            if (mappings[j].pdbfile.equals(pdbfile)
+                    && mappings[j].pdbchain.equals(chain))
+            {
+              indexpos = mappings[j].getSeqPos(pdbResNum);
+              if (lastipos != indexpos && lastseq != mappings[j].sequence)
+              {
+                results.addResult(mappings[j].sequence, indexpos, indexpos);
+                lastipos = indexpos;
+                lastseq = mappings[j].sequence;
+                // construct highlighted sequence list
+                if (seqmappings != null)
+                {
+
+                  Enumeration e = seqmappings.elements();
+                  while (e.hasMoreElements())
+
+                  {
+                    ((AlignedCodonFrame) e.nextElement()).markMappedRegion(
+                            mappings[j].sequence, indexpos, results);
+                  }
+                }
+              }
+
+            }
           }
         }
-
-        sl.highlightSequence(null, pdbResNum);
+      }
+    }
+    if (results != null)
+    {
+      for (int i = 0; i < listeners.size(); i++)
+      {
+        Object li = listeners.elementAt(i);
+        if (li instanceof SequenceListener)
+        {
+          ((SequenceListener) li).highlightSequence(results);
+        }
       }
     }
   }
 
-  public void mouseOverSequence(SequenceI seq, int index)
+  Vector seqmappings = null; // should be a simpler list of mapped seuqence
+
+  /**
+   * highlight regions associated with a position (indexpos) in seq
+   * 
+   * @param seq
+   *          the sequeence that the mouse over occured on
+   * @param indexpos
+   *          the absolute position being mouseovered in seq (0 to seq.length())
+   * @param index
+   *          the sequence position (if -1, seq.findPosition is called to
+   *          resolve the residue number)
+   */
+  public void mouseOverSequence(SequenceI seq, int indexpos, int index,
+          VamsasSource source)
   {
+    boolean hasSequenceListeners = handlingVamsasMo || seqmappings != null;
+    SearchResults results = null;
+    if (index == -1)
+    {
+      index = seq.findPosition(indexpos);
+    }
     StructureListener sl;
     int atomNo = 0;
     for (int i = 0; i < listeners.size(); i++)
     {
-      if (listeners.elementAt(i) instanceof StructureListener)
+      Object listener = listeners.elementAt(i);
+      if (listener == source)
       {
-        sl = (StructureListener) listeners.elementAt(i);
-
+        continue;
+      }
+      if (listener instanceof StructureListener)
+      {
+        sl = (StructureListener) listener;
+        if (mappings == null)
+        {
+          continue;
+        }
         for (int j = 0; j < mappings.length; j++)
         {
-          if (mappings[j].sequence == seq)
+          if (mappings[j].sequence == seq
+                  || mappings[j].sequence == seq.getDatasetSequence())
           {
             atomNo = mappings[j].getAtomNum(index);
 
             if (atomNo > 0)
             {
-              sl.highlightAtom(atomNo,
-                               mappings[j].getPDBResNum(index),
-                               mappings[j].pdbchain,
-                               mappings[j].pdbfile);
+              sl.highlightAtom(atomNo, mappings[j].getPDBResNum(index),
+                      mappings[j].pdbchain, mappings[j].pdbfile);
             }
           }
         }
       }
-    }
-  }
-
-  public Annotation[] colourSequenceFromStructure(SequenceI seq, String pdbid)
-  {
-    Annotation [] annotations = new Annotation[seq.getLength()];
-
-    StructureListener sl;
-    int atomNo = 0;
-    for (int i = 0; i < listeners.size(); i++)
-    {
-      if (listeners.elementAt(i) instanceof StructureListener)
+      else
       {
-        sl = (StructureListener) listeners.elementAt(i);
-
-        for (int j = 0; j < mappings.length; j++)
+        if (relaySeqMappings && hasSequenceListeners
+                && listener instanceof SequenceListener)
         {
+          // DEBUG
+          // System.err.println("relay Seq " + seq.getDisplayId(false) + " " +
+          // index);
 
-          if (mappings[j].sequence == seq
-              && mappings[j].getPdbId().equals(pdbid)
-              && mappings[j].pdbfile.equals(sl.getPdbFile()))
+          if (results == null)
           {
-            System.out.println(pdbid+" "+mappings[j].getPdbId()
-                +" "+mappings[j].pdbfile);
-
-            java.awt.Color col;
-            for(int index=0; index<seq.getLength(); index++)
+            results = new SearchResults();
+            if (index >= seq.getStart() && index <= seq.getEnd())
             {
-              if(jalview.util.Comparison.isGap(seq.getCharAt(index)))
-                continue;
+              // construct highlighted sequence list
 
-              atomNo = mappings[j].getAtomNum(seq.findPosition(index));
-              col = java.awt.Color.white;
-              if (atomNo > 0)
+              if (seqmappings != null)
               {
-                col = sl.getColour(atomNo,
-                                 mappings[j].getPDBResNum(index),
-                                 mappings[j].pdbchain,
-                                 mappings[j].pdbfile);
+                Enumeration e = seqmappings.elements();
+                while (e.hasMoreElements())
 
-            //    System.out.println(atomNo+" "+mappings[j].getPDBResNum(index)
-            //                     +" "+index+" "+col);
+                {
+                  ((AlignedCodonFrame) e.nextElement()).markMappedRegion(
+                          seq, index, results);
+                }
+              }
+              // hasSequenceListeners = results.getSize() > 0;
+              if (handlingVamsasMo)
+              {
+                // maybe have to resolve seq to a dataset seqeunce...
+                // add in additional direct sequence and/or dataset sequence
+                // highlighting
+                results.addResult(seq, index, index);
               }
-
-              annotations[index] = new Annotation("X",null,' ',0,col);
             }
-            return annotations;
           }
+          if (hasSequenceListeners)
+          {
+            ((SequenceListener) listener).highlightSequence(results);
+          }
+        }
+        else if (listener instanceof VamsasListener && !handlingVamsasMo)
+        {
+          // DEBUG
+          // System.err.println("Vamsas from Seq " + seq.getDisplayId(false) + "
+          // " +
+          // index);
+          // pass the mouse over and absolute position onto the
+          // VamsasListener(s)
+          ((VamsasListener) listener).mouseOver(seq, indexpos, source);
+        }
+        else if (listener instanceof SecondaryStructureListener)
+        {
+          ((SecondaryStructureListener) listener).mouseOverSequence(seq,
+                  indexpos);
         }
       }
     }
-
-    return annotations;
   }
 
+  /**
+   * true if a mouse over event from an external (ie Vamsas) source is being
+   * handled
+   */
+  boolean handlingVamsasMo = false;
 
-  public void structureSelectionChanged()
+  long lastmsg = 0;
+
+  /**
+   * as mouseOverSequence but only route event to SequenceListeners
+   * 
+   * @param sequenceI
+   * @param position
+   *          in an alignment sequence
+   */
+  public void mouseOverVamsasSequence(SequenceI sequenceI, int position,
+          VamsasSource source)
   {
-    StructureListener svl;
-    for (int i = 0; i < listeners.size(); i++)
+    handlingVamsasMo = true;
+    long msg = sequenceI.hashCode() * (1 + position);
+    if (lastmsg != msg)
     {
-      svl = (StructureListener) listeners.elementAt(i);
+      lastmsg = msg;
+      mouseOverSequence(sequenceI, position, -1, source);
     }
+    handlingVamsasMo = false;
+  }
+
+  public Annotation[] colourSequenceFromStructure(SequenceI seq,
+          String pdbid)
+  {
+    return null;
+    // THIS WILL NOT BE AVAILABLE IN JALVIEW 2.3,
+    // UNTIL THE COLOUR BY ANNOTATION IS REWORKED
+    /*
+     * Annotation [] annotations = new Annotation[seq.getLength()];
+     * 
+     * StructureListener sl; int atomNo = 0; for (int i = 0; i <
+     * listeners.size(); i++) { if (listeners.elementAt(i) instanceof
+     * StructureListener) { sl = (StructureListener) listeners.elementAt(i);
+     * 
+     * for (int j = 0; j < mappings.length; j++) {
+     * 
+     * if (mappings[j].sequence == seq && mappings[j].getPdbId().equals(pdbid)
+     * && mappings[j].pdbfile.equals(sl.getPdbFile())) {
+     * System.out.println(pdbid+" "+mappings[j].getPdbId() +"
+     * "+mappings[j].pdbfile);
+     * 
+     * java.awt.Color col; for(int index=0; index<seq.getLength(); index++) {
+     * if(jalview.util.Comparison.isGap(seq.getCharAt(index))) continue;
+     * 
+     * atomNo = mappings[j].getAtomNum(seq.findPosition(index)); col =
+     * java.awt.Color.white; if (atomNo > 0) { col = sl.getColour(atomNo,
+     * mappings[j].getPDBResNum(index), mappings[j].pdbchain,
+     * mappings[j].pdbfile); }
+     * 
+     * annotations[index] = new Annotation("X",null,' ',0,col); } return
+     * annotations; } } } }
+     * 
+     * return annotations;
+     */
+  }
+
+  public void structureSelectionChanged()
+  {
   }
 
   public void sequenceSelectionChanged()
   {
-    StructureListener svl;
-    for (int i = 0; i < listeners.size(); i++)
-    {
-      svl = (StructureListener) listeners.elementAt(i);
-    }
   }
 
   public void sequenceColoursChanged(Object source)
@@ -370,14 +826,16 @@ public class StructureSelectionManager
   public StructureMapping[] getMapping(String pdbfile)
   {
     Vector tmp = new Vector();
-    for (int i = 0; i < mappings.length; i++)
+    if (mappings != null)
     {
-      if (mappings[i].pdbfile.equals(pdbfile))
+      for (int i = 0; i < mappings.length; i++)
       {
-        tmp.addElement(mappings[i]);
+        if (mappings[i].pdbfile.equals(pdbfile))
+        {
+          tmp.addElement(mappings[i]);
+        }
       }
     }
-
     StructureMapping[] ret = new StructureMapping[tmp.size()];
     for (int i = 0; i < tmp.size(); i++)
     {
@@ -400,4 +858,201 @@ public class StructureSelectionManager
 
     return sb.toString();
   }
+
+  private int[] seqmappingrefs = null; // refcount for seqmappings elements
+
+  private synchronized void modifySeqMappingList(boolean add,
+          AlignedCodonFrame[] codonFrames)
+  {
+    if (!add && (seqmappings == null || seqmappings.size() == 0))
+    {
+      return;
+    }
+    if (seqmappings == null)
+    {
+      seqmappings = new Vector();
+    }
+    if (codonFrames != null && codonFrames.length > 0)
+    {
+      for (int cf = 0; cf < codonFrames.length; cf++)
+      {
+        if (seqmappings.contains(codonFrames[cf]))
+        {
+          if (add)
+          {
+            seqmappingrefs[seqmappings.indexOf(codonFrames[cf])]++;
+          }
+          else
+          {
+            if (--seqmappingrefs[seqmappings.indexOf(codonFrames[cf])] <= 0)
+            {
+              int pos = seqmappings.indexOf(codonFrames[cf]);
+              int[] nr = new int[seqmappingrefs.length - 1];
+              if (pos > 0)
+              {
+                System.arraycopy(seqmappingrefs, 0, nr, 0, pos);
+              }
+              if (pos < seqmappingrefs.length - 1)
+              {
+                System.arraycopy(seqmappingrefs, pos + 1, nr, 0,
+                        seqmappingrefs.length - pos - 2);
+              }
+            }
+          }
+        }
+        else
+        {
+          if (add)
+          {
+            seqmappings.addElement(codonFrames[cf]);
+
+            int[] nsr = new int[(seqmappingrefs == null) ? 1
+                    : seqmappingrefs.length + 1];
+            if (seqmappingrefs != null && seqmappingrefs.length > 0)
+            {
+              System.arraycopy(seqmappingrefs, 0, nsr, 0,
+                      seqmappingrefs.length);
+            }
+            nsr[(seqmappingrefs == null) ? 0 : seqmappingrefs.length] = 1;
+            seqmappingrefs = nsr;
+          }
+        }
+      }
+    }
+  }
+
+  public void removeMappings(AlignedCodonFrame[] codonFrames)
+  {
+    modifySeqMappingList(false, codonFrames);
+  }
+
+  public void addMappings(AlignedCodonFrame[] codonFrames)
+  {
+    modifySeqMappingList(true, codonFrames);
+  }
+
+  Vector<SelectionListener> sel_listeners = new Vector<SelectionListener>();
+
+  public void addSelectionListener(SelectionListener selecter)
+  {
+    if (!sel_listeners.contains(selecter))
+    {
+      sel_listeners.addElement(selecter);
+    }
+  }
+
+  public void removeSelectionListener(SelectionListener toremove)
+  {
+    if (sel_listeners.contains(toremove))
+    {
+      sel_listeners.removeElement(toremove);
+    }
+  }
+
+  public synchronized void sendSelection(
+          jalview.datamodel.SequenceGroup selection,
+          jalview.datamodel.ColumnSelection colsel, SelectionSource source)
+  {
+    if (sel_listeners != null && sel_listeners.size() > 0)
+    {
+      Enumeration listeners = sel_listeners.elements();
+      while (listeners.hasMoreElements())
+      {
+        SelectionListener slis = ((SelectionListener) listeners
+                .nextElement());
+        if (slis != source)
+        {
+          slis.selection(selection, colsel, source);
+        }
+        ;
+      }
+    }
+  }
+
+  Vector<AlignmentViewPanelListener> view_listeners = new Vector<AlignmentViewPanelListener>();
+
+  public synchronized void sendViewPosition(
+          jalview.api.AlignmentViewPanel source, int startRes, int endRes,
+          int startSeq, int endSeq)
+  {
+
+    if (view_listeners != null && view_listeners.size() > 0)
+    {
+      Enumeration<AlignmentViewPanelListener> listeners = view_listeners
+              .elements();
+      while (listeners.hasMoreElements())
+      {
+        AlignmentViewPanelListener slis = listeners.nextElement();
+        if (slis != source)
+        {
+          slis.viewPosition(startRes, endRes, startSeq, endSeq, source);
+        }
+        ;
+      }
+    }
+  }
+
+  public void finalize() throws Throwable
+  {
+    if (listeners != null)
+    {
+      listeners.clear();
+      listeners = null;
+    }
+    if (pdbIdFileName != null)
+    {
+      pdbIdFileName.clear();
+      pdbIdFileName = null;
+    }
+    if (sel_listeners != null)
+    {
+      sel_listeners.clear();
+      sel_listeners = null;
+    }
+    if (view_listeners != null)
+    {
+      view_listeners.clear();
+      view_listeners = null;
+    }
+    mappings = null;
+    seqmappingrefs = null;
+  }
+
+  /**
+   * release all references associated with this manager provider
+   * 
+   * @param jalviewLite
+   */
+  public static void release(StructureSelectionManagerProvider jalviewLite)
+  {
+    // synchronized (instances)
+    {
+      if (instances == null)
+      {
+        return;
+      }
+      StructureSelectionManager mnger = (instances.get(jalviewLite));
+      if (mnger != null)
+      {
+        instances.remove(jalviewLite);
+        try
+        {
+          mnger.finalize();
+        } catch (Throwable x)
+        {
+        }
+        ;
+      }
+    }
+  }
+
+  public void registerPDBEntry(PDBEntry pdbentry)
+  {
+    if (pdbentry.getFile() != null
+            && pdbentry.getFile().trim().length() > 0)
+    {
+      registerPDBFile(pdbentry.getId(), pdbentry.getFile());
+    }
+  }
+
 }