JAL-3116 Uniprot XML unmarshalled using JAXB not Castor
[jalview.git] / src / jalview / datamodel / xdb / embl / EmblEntry.java
index a2354ed..bbe6a20 100644 (file)
@@ -48,9 +48,7 @@ import java.util.regex.Pattern;
  * Data model for one entry returned from an EMBL query, as marshalled by a
  * Castor binding file
  * 
- * For example:
- * http://www.ebi.ac.uk/Tools/dbfetch/dbfetch?db=ena_sequence&id=J03321
- * &format=emblxml
+ * For example: http://www.ebi.ac.uk/ena/data/view/J03321&display=xml
  * 
  * @see embl_mapping.xml
  */
@@ -187,17 +185,21 @@ public class EmblEntry
    */
   public SequenceI getSequence(String sourceDb, List<SequenceI> peptides)
   {
-    SequenceI dna = new Sequence(sourceDb + "|" + accession,
-            sequence.getSequence());
+    SequenceI dna = makeSequence(sourceDb);
+    if (dna == null)
+    {
+      return null;
+    }
     dna.setDescription(description);
-    DBRefEntry retrievedref = new DBRefEntry(sourceDb,
-            getSequenceVersion(), accession);
+    DBRefEntry retrievedref = new DBRefEntry(sourceDb, getSequenceVersion(),
+            accession);
     dna.addDBRef(retrievedref);
     // add map to indicate the sequence is a valid coordinate frame for the
     // dbref
-    retrievedref.setMap(new Mapping(null, new int[] { 1, dna.getLength() },
-            new int[] { 1, dna.getLength() }, 1, 1));
-
+    retrievedref
+            .setMap(new Mapping(null, new int[]
+            { 1, dna.getLength() }, new int[] { 1, dna.getLength() }, 1,
+                    1));
 
     /*
      * transform EMBL Database refs to canonical form
@@ -235,6 +237,23 @@ public class EmblEntry
   }
 
   /**
+   * @param sourceDb
+   * @return
+   */
+  SequenceI makeSequence(String sourceDb)
+  {
+    if (sequence == null)
+    {
+      System.err.println(
+              "No sequence was returned for ENA accession " + accession);
+      return null;
+    }
+    SequenceI dna = new Sequence(sourceDb + "|" + accession,
+            sequence.getSequence());
+    return dna;
+  }
+
+  /**
    * Extracts coding region and product from a CDS feature and properly decorate
    * it with annotations.
    * 
@@ -250,7 +269,8 @@ public class EmblEntry
    *          helper to match xrefs in already retrieved sequences
    */
   void parseCodingFeature(EmblFeature feature, String sourceDb,
-          SequenceI dna, List<SequenceI> peptides, SequenceIdMatcher matcher)
+          SequenceI dna, List<SequenceI> peptides,
+          SequenceIdMatcher matcher)
   {
     boolean isEmblCdna = sourceDb.equals(DBRefSource.EMBLCDS);
 
@@ -259,7 +279,7 @@ public class EmblEntry
     String translation = null;
     String proteinName = "";
     String proteinId = null;
-    Map<String, String> vals = new Hashtable<String, String>();
+    Map<String, String> vals = new Hashtable<>();
 
     /*
      * codon_start 1/2/3 in EMBL corresponds to phase 0/1/2 in CDS
@@ -279,7 +299,8 @@ public class EmblEntry
         if (qname.equals("translation"))
         {
           // remove all spaces (precompiled String.replaceAll(" ", ""))
-          translation = SPACE_PATTERN.matcher(q.getValues()[0]).replaceAll("");
+          translation = SPACE_PATTERN.matcher(q.getValues()[0])
+                  .replaceAll("");
         }
         else if (qname.equals("protein_id"))
         {
@@ -292,8 +313,8 @@ public class EmblEntry
             codonStart = Integer.parseInt(q.getValues()[0].trim());
           } catch (NumberFormatException e)
           {
-            System.err.println("Invalid codon_start in XML for "
-                    + accession + ": " + e.getMessage());
+            System.err.println("Invalid codon_start in XML for " + accession
+                    + ": " + e.getMessage());
           }
         }
         else if (qname.equals("product"))
@@ -322,15 +343,18 @@ public class EmblEntry
     Mapping dnaToProteinMapping = null;
     if (translation != null && proteinName != null && proteinId != null)
     {
+      int translationLength = translation.length();
+
       /*
        * look for product in peptides list, if not found, add it
        */
       product = matcher.findIdMatch(proteinId);
       if (product == null)
       {
-        product = new Sequence(proteinId, translation, 1, translation.length());
-        product.setDescription(((proteinName.length() == 0) ? "Protein Product from "
-                + sourceDb
+        product = new Sequence(proteinId, translation, 1,
+                translationLength);
+        product.setDescription(((proteinName.length() == 0)
+                ? "Protein Product from " + sourceDb
                 : proteinName));
         peptides.add(product);
         matcher.add(product);
@@ -340,30 +364,34 @@ public class EmblEntry
       // sequence
       if (exons == null || exons.length == 0)
       {
-        System.err
-                .println("Implementation Notice: EMBLCDS records not properly supported yet - Making up the CDNA region of this sequence... may be incorrect ("
+        /*
+         * workaround until we handle dna location for CDS sequence
+         * e.g. location="X53828.1:60..1058" correctly
+         */
+        System.err.println(
+                "Implementation Notice: EMBLCDS records not properly supported yet - Making up the CDNA region of this sequence... may be incorrect ("
                         + sourceDb + ":" + getAccession() + ")");
-        if (translation.length() * 3 == (1 - codonStart + dna.getSequence().length))
+        int dnaLength = dna.getLength();
+        if (translationLength * 3 == (1 - codonStart + dnaLength))
         {
-          System.err
-                  .println("Not allowing for additional stop codon at end of cDNA fragment... !");
-          // this might occur for CDS sequences where no features are
-          // marked.
+          System.err.println(
+                  "Not allowing for additional stop codon at end of cDNA fragment... !");
+          // this might occur for CDS sequences where no features are marked
           exons = new int[] { dna.getStart() + (codonStart - 1),
               dna.getEnd() };
-          dnaToProteinMapping = new Mapping(product, exons, new int[] { 1,
-              translation.length() },
-                  3, 1);
+          dnaToProteinMapping = new Mapping(product, exons,
+                  new int[]
+                  { 1, translationLength }, 3, 1);
         }
-        if ((translation.length() + 1) * 3 == (1 - codonStart + dna.getSequence().length))
+        if ((translationLength + 1) * 3 == (1 - codonStart + dnaLength))
         {
-          System.err
-                  .println("Allowing for additional stop codon at end of cDNA fragment... will probably cause an error in VAMSAs!");
+          System.err.println(
+                  "Allowing for additional stop codon at end of cDNA fragment... will probably cause an error in VAMSAs!");
           exons = new int[] { dna.getStart() + (codonStart - 1),
               dna.getEnd() - 3 };
-          dnaToProteinMapping = new Mapping(product, exons, new int[] { 1,
-              translation.length() },
-                  3, 1);
+          dnaToProteinMapping = new Mapping(product, exons,
+                  new int[]
+                  { 1, translationLength }, 3, 1);
         }
       }
       else
@@ -382,31 +410,43 @@ public class EmblEntry
         else
         {
           // final product length truncation check
-          int[] cdsRanges = adjustForProteinLength(translation.length(), exons);
-          dnaToProteinMapping = new Mapping(product, cdsRanges, new int[] { 1,
-              translation.length() }, 3, 1);
+          int[] cdsRanges = adjustForProteinLength(translationLength,
+                  exons);
+          dnaToProteinMapping = new Mapping(product, cdsRanges,
+                  new int[]
+                  { 1, translationLength }, 3, 1);
           if (product != null)
           {
             /*
-             * make xrefs from protein to EMBLCDS and EMBLCDSPROTEIN
+             * make xref with mapping from protein to EMBL dna
              */
-            DBRefEntry proteinToEmblCdsRef = new DBRefEntry();
-            proteinToEmblCdsRef.setAccessionId(proteinId);
-            proteinToEmblCdsRef.setSource(DBRefSource.EMBLCDS);
-            proteinToEmblCdsRef.setVersion(getSequenceVersion()); // same as
-                                                                  // parent EMBL
-            // version.
-            MapList mp = new MapList(new int[] { 1, translation.length() },
-                    new int[] { 1 + (codonStart - 1),
-                        (codonStart - 1) + 3 * translation.length() }, 1, 3);
-            proteinToEmblCdsRef.setMap(new Mapping(mp));
+            DBRefEntry proteinToEmblRef = new DBRefEntry(DBRefSource.EMBL,
+                    getSequenceVersion(), proteinId,
+                    new Mapping(dnaToProteinMapping.getMap().getInverse()));
+            product.addDBRef(proteinToEmblRef);
+
+            /*
+             * make xref from protein to EMBLCDS; we assume here that the 
+             * CDS sequence version is same as dna sequence (?!)
+             */
+            MapList proteinToCdsMapList = new MapList(
+                    new int[]
+                    { 1, translationLength },
+                    new int[]
+                    { 1 + (codonStart - 1),
+                        (codonStart - 1) + 3 * translationLength },
+                    1, 3);
+            DBRefEntry proteinToEmblCdsRef = new DBRefEntry(
+                    DBRefSource.EMBLCDS, getSequenceVersion(), proteinId,
+                    new Mapping(proteinToCdsMapList));
             product.addDBRef(proteinToEmblCdsRef);
+
+            /*
+             * make 'direct' xref from protein to EMBLCDSPROTEIN
+             */
             proteinToEmblProteinRef = new DBRefEntry(proteinToEmblCdsRef);
-            MapList mp2 = new MapList(
-                    new int[] { 1, translation.length() }, new int[] { 1,
-                        translation.length() }, 1, 1);
-            proteinToEmblProteinRef.setMap(new Mapping(mp2));
             proteinToEmblProteinRef.setSource(DBRefSource.EMBLCDSProduct);
+            proteinToEmblProteinRef.setMap(null);
             product.addDBRef(proteinToEmblProteinRef);
           }
         }
@@ -415,13 +455,27 @@ public class EmblEntry
       /*
        * add cds features to dna sequence
        */
-      for (int xint = 0; exons != null && xint < exons.length; xint += 2)
+      String cds = feature.getName(); // "CDS"
+      for (int xint = 0; exons != null && xint < exons.length - 1; xint += 2)
       {
-        SequenceFeature sf = makeCdsFeature(exons, xint, proteinName, proteinId, vals,
-                codonStart);
-        sf.setType(feature.getName()); // "CDS"
+        int exonStart = exons[xint];
+        int exonEnd = exons[xint + 1];
+        int begin = Math.min(exonStart, exonEnd);
+        int end = Math.max(exonStart, exonEnd);
+        int exonNumber = xint / 2 + 1;
+        String desc = String.format("Exon %d for protein '%s' EMBLCDS:%s",
+                exonNumber, proteinName, proteinId);
+
+        SequenceFeature sf = makeCdsFeature(cds, desc, begin, end,
+                sourceDb, vals);
+
         sf.setEnaLocation(feature.getLocation());
-        sf.setFeatureGroup(sourceDb);
+        boolean forwardStrand = exonStart <= exonEnd;
+        sf.setStrand(forwardStrand ? "+" : "-");
+        sf.setPhase(String.valueOf(codonStart - 1));
+        sf.setValue(FeatureProperties.EXONPOS, exonNumber);
+        sf.setValue(FeatureProperties.EXONPRODUCT, proteinName);
+
         dna.addSequenceFeature(sf);
       }
     }
@@ -440,13 +494,14 @@ public class EmblEntry
          */
         String source = DBRefUtils.getCanonicalName(ref.getSource());
         ref.setSource(source);
-        DBRefEntry proteinToDnaRef = new DBRefEntry(ref.getSource(), ref.getVersion(), ref
-                .getAccessionId());
+        DBRefEntry proteinDbRef = new DBRefEntry(ref.getSource(),
+                ref.getVersion(), ref.getAccessionId());
         if (source.equals(DBRefSource.UNIPROT))
         {
           String proteinSeqName = DBRefSource.UNIPROT + "|"
                   + ref.getAccessionId();
-          if (dnaToProteinMapping != null && dnaToProteinMapping.getTo() != null)
+          if (dnaToProteinMapping != null
+                  && dnaToProteinMapping.getTo() != null)
           {
             if (mappingUsed)
             {
@@ -472,7 +527,8 @@ public class EmblEntry
               peptides.add(proteinSeq);
             }
             dnaToProteinMapping.setTo(proteinSeq);
-            proteinSeq.addDBRef(proteinToDnaRef);
+            dnaToProteinMapping.setMappedFromId(proteinId);
+            proteinSeq.addDBRef(proteinDbRef);
             ref.setMap(dnaToProteinMapping);
           }
           hasUniprotDbref = true;
@@ -482,14 +538,14 @@ public class EmblEntry
           /*
            * copy feature dbref to our protein product
            */
-          DBRefEntry pref = proteinToDnaRef;
+          DBRefEntry pref = proteinDbRef;
           pref.setMap(null); // reference is direct
           product.addDBRef(pref);
           // Add converse mapping reference
           if (dnaToProteinMapping != null)
           {
-            Mapping pmap = new Mapping(dna, dnaToProteinMapping.getMap()
-                    .getInverse());
+            Mapping pmap = new Mapping(dna,
+                    dnaToProteinMapping.getMap().getInverse());
             pref = new DBRefEntry(sourceDb, getSequenceVersion(),
                     this.getAccession());
             pref.setMap(pmap);
@@ -502,21 +558,19 @@ public class EmblEntry
         dna.addDBRef(ref);
       }
     }
+
     /*
      * if we have a product (translation) but no explicit Uniprot dbref
-     * (example: EMBL AAFI02000057 protein_id EAL65544.1
-     * construct mappings to an assumed EMBLCDSPROTEIN accession
+     * (example: EMBL AAFI02000057 protein_id EAL65544.1)
+     * then construct mappings to an assumed EMBLCDSPROTEIN accession
      */
     if (!hasUniprotDbref && product != null)
     {
       if (proteinToEmblProteinRef == null)
       {
-        proteinToEmblProteinRef = new DBRefEntry();
-        proteinToEmblProteinRef.setAccessionId(proteinId);
-        proteinToEmblProteinRef.setSource(DBRefSource.EMBLCDSProduct);
-        proteinToEmblProteinRef.setVersion(getSequenceVersion());
-        proteinToEmblProteinRef.setMap(new Mapping(product,
-                dnaToProteinMapping.getMap().getInverse()));
+        // assuming CDSPROTEIN sequence version = dna version (?!)
+        proteinToEmblProteinRef = new DBRefEntry(DBRefSource.EMBLCDSProduct,
+                getSequenceVersion(), proteinId);
       }
       product.addDBRef(proteinToEmblProteinRef);
 
@@ -524,8 +578,10 @@ public class EmblEntry
               && dnaToProteinMapping.getTo() != null)
       {
         DBRefEntry dnaToEmblProteinRef = new DBRefEntry(
-                proteinToEmblProteinRef);
+                DBRefSource.EMBLCDSProduct, getSequenceVersion(),
+                proteinId);
         dnaToEmblProteinRef.setMap(dnaToProteinMapping);
+        dnaToProteinMapping.setMappedFromId(proteinId);
         dna.addDBRef(dnaToEmblProteinRef);
       }
     }
@@ -534,33 +590,24 @@ public class EmblEntry
   /**
    * Helper method to construct a SequenceFeature for one cds range
    * 
-   * @param exons
-   *          array of cds [start, end, ...] positions
-   * @param exonStartIndex
-   *          offset into the exons array
-   * @param proteinName
-   * @param proteinAccessionId
+   * @param type
+   *          feature type ("CDS")
+   * @param desc
+   *          description
+   * @param begin
+   *          start position
+   * @param end
+   *          end position
+   * @param group
+   *          feature group
    * @param vals
    *          map of 'miscellaneous values' for feature
-   * @param codonStart
-   *          codon start position for CDS (1/2/3, normally 1)
    * @return
    */
-  protected SequenceFeature makeCdsFeature(int[] exons, int exonStartIndex,
-          String proteinName, String proteinAccessionId,
-          Map<String, String> vals, int codonStart)
-  {
-    int exonNumber = exonStartIndex / 2 + 1;
-    SequenceFeature sf = new SequenceFeature();
-    sf.setBegin(Math.min(exons[exonStartIndex], exons[exonStartIndex + 1]));
-    sf.setEnd(Math.max(exons[exonStartIndex], exons[exonStartIndex + 1]));
-    sf.setDescription(String.format("Exon %d for protein '%s' EMBLCDS:%s",
-            exonNumber, proteinName, proteinAccessionId));
-    sf.setPhase(String.valueOf(codonStart - 1));
-    sf.setStrand(exons[exonStartIndex] <= exons[exonStartIndex + 1] ? "+"
-            : "-");
-    sf.setValue(FeatureProperties.EXONPOS, exonNumber);
-    sf.setValue(FeatureProperties.EXONPRODUCT, proteinName);
+  protected SequenceFeature makeCdsFeature(String type, String desc,
+          int begin, int end, String group, Map<String, String> vals)
+  {
+    SequenceFeature sf = new SequenceFeature(type, desc, begin, end, group);
     if (!vals.isEmpty())
     {
       StringBuilder sb = new StringBuilder();
@@ -600,9 +647,9 @@ public class EmblEntry
       return listToArray(ranges);
     } catch (ParseException e)
     {
-      Cache.log.warn(String.format(
-              "Not parsing inexact CDS location %s in ENA %s",
-              feature.location, this.accession));
+      Cache.log.warn(
+              String.format("Not parsing inexact CDS location %s in ENA %s",
+                      feature.location, this.accession));
       return new int[] {};
     }
   }