JAL-1381 JAL-2110 efficiency TODO
[jalview.git] / src / jalview / analysis / AlignmentUtils.java
index 35aa91d..37f225c 100644 (file)
@@ -885,7 +885,8 @@ public class AlignmentUtils
     int alignedCount = 0;
     for (SequenceI dnaSeq : dna.getSequences())
     {
-      if (alignCdsSequenceAsProtein(dnaSeq, protein, mappings))
+      if (alignCdsSequenceAsProtein(dnaSeq, protein, mappings,
+              dna.getGapCharacter()))
       {
         alignedCount++;
       }
@@ -894,31 +895,124 @@ public class AlignmentUtils
   }
 
   /**
-   * Helper method to align (if possible) the dna sequence (cds only) to match
-   * the alignment of a mapped protein sequence
+   * Helper method to align (if possible) the dna sequence to match the
+   * alignment of a mapped protein sequence. This is currently limited to
+   * handling coding sequence only.
    * 
-   * @param dnaSeq
+   * @param cdsSeq
    * @param protein
    * @param mappings
+   * @param gapChar
    * @return
    */
-  static boolean alignCdsSequenceAsProtein(SequenceI dnaSeq,
-          AlignmentI protein, List<AlignedCodonFrame> mappings)
+  static boolean alignCdsSequenceAsProtein(SequenceI cdsSeq,
+          AlignmentI protein, List<AlignedCodonFrame> mappings, char gapChar)
   {
+    SequenceI cdsDss = cdsSeq.getDatasetSequence();
+    if (cdsDss == null)
+    {
+      System.err
+              .println("alignCdsSequenceAsProtein needs aligned sequence!");
+      return false;
+    }
+    
     List<AlignedCodonFrame> dnaMappings = MappingUtils
-            .findMappingsForSequence(dnaSeq, mappings);
+            .findMappingsForSequence(cdsSeq, mappings);
     for (AlignedCodonFrame mapping : dnaMappings)
     {
-      SequenceI peptide = mapping.findAlignedSequence(dnaSeq, protein);
+      SequenceI peptide = mapping.findAlignedSequence(cdsSeq, protein);
+      int peptideLength = peptide.getLength();
       if (peptide != null)
       {
-        Mapping map = mapping.getMappingBetween(dnaSeq, peptide);
+        Mapping map = mapping.getMappingBetween(cdsSeq, peptide);
         if (map != null)
         {
+          MapList mapList = map.getMap();
+          if (map.getTo() == peptide.getDatasetSequence())
+          {
+            mapList = mapList.getInverse();
+          }
+          int cdsLength = cdsDss.getLength();
+          int mappedFromLength = MappingUtils.getLength(mapList
+                  .getFromRanges());
+          int mappedToLength = MappingUtils
+                  .getLength(mapList.getToRanges());
+          boolean addStopCodon = (cdsLength == mappedFromLength * 3 + 3)
+                  || (peptide.getDatasetSequence().getLength() == mappedFromLength - 1);
+          if (cdsLength != mappedToLength && !addStopCodon)
+          {
+            System.err
+                    .println(String
+                            .format("Can't align cds as protein (length mismatch %d/%d): %s",
+                                    cdsLength, mappedToLength,
+                                    cdsSeq.getName()));
+          }
+
           /*
-           * traverse peptide adding gaps or codons to new cds sequence
+           * pre-fill the aligned cds sequence with gaps
            */
-          MapList mapList = map.getMap();
+          char[] alignedCds = new char[peptideLength * 3
+                  + (addStopCodon ? 3 : 0)];
+          Arrays.fill(alignedCds, gapChar);
+
+          /*
+           * walk over the aligned peptide sequence and insert mapped 
+           * codons for residues in the aligned cds sequence 
+           */
+          char[] alignedPeptide = peptide.getSequence();
+          char[] nucleotides = cdsDss.getSequence();
+          int copiedBases = 0;
+          int cdsStart = cdsDss.getStart();
+          int proteinPos = peptide.getStart() - 1;
+          int cdsCol = 0;
+          for (char residue : alignedPeptide)
+          {
+            if (Comparison.isGap(residue))
+            {
+              cdsCol += 3;
+            }
+            else
+            {
+              proteinPos++;
+              int[] codon = mapList.locateInTo(proteinPos, proteinPos);
+              if (codon == null)
+              {
+                // e.g. incomplete start codon, X in peptide
+                cdsCol += 3;
+              }
+              else
+              {
+                for (int j = codon[0]; j <= codon[1]; j++)
+                {
+                  char mappedBase = nucleotides[j - cdsStart];
+                  alignedCds[cdsCol++] = mappedBase;
+                  copiedBases++;
+                }
+              }
+            }
+          }
+
+          /*
+           * append stop codon if not mapped from protein,
+           * closing it up to the end of the mapped sequence
+           */
+          if (copiedBases == nucleotides.length - 3)
+          {
+            for (int i = alignedCds.length - 1; i >= 0; i--)
+            {
+              if (!Comparison.isGap(alignedCds[i]))
+              {
+                cdsCol = i + 1; // gap just after end of sequence
+                break;
+              }
+            }
+            for (int i = nucleotides.length - 3; i < nucleotides.length; i++)
+            {
+              alignedCds[cdsCol++] = nucleotides[i];
+            }
+          }
+          cdsSeq.setSequence(new String(alignedCds));
+          return true;
         }
       }
     }
@@ -2441,6 +2535,17 @@ public class AlignmentUtils
    */
   public static int alignAs(AlignmentI unaligned, AlignmentI aligned)
   {
+    /*
+     * easy case - aligning a copy of aligned sequences
+     */
+    if (alignAsSameSequences(unaligned, aligned))
+    {
+      return unaligned.getHeight();
+    }
+
+    /*
+     * fancy case - aligning via mappings between sequences
+     */
     List<SequenceI> unmapped = new ArrayList<SequenceI>();
     Map<Integer, Map<SequenceI, Character>> columnMap = buildMappedColumnsMap(
             unaligned, aligned, unmapped);
@@ -2453,7 +2558,8 @@ public class AlignmentUtils
       if (!unmapped.contains(seq))
       {
         char[] newSeq = new char[width];
-        Arrays.fill(newSeq, gap);
+        Arrays.fill(newSeq, gap); // JBPComment - doubt this is faster than the
+                                  // Integer iteration below
         int newCol = 0;
         int lastCol = 0;
 
@@ -2485,6 +2591,7 @@ public class AlignmentUtils
           System.arraycopy(newSeq, 0, tmp, 0, lastCol + 1);
           newSeq = tmp;
         }
+        // TODO: optimise SequenceI to avoid char[]->String->char[]
         seq.setSequence(String.valueOf(newSeq));
         realignedCount++;
       }
@@ -2493,6 +2600,56 @@ public class AlignmentUtils
   }
 
   /**
+   * If unaligned and aligned sequences share the same dataset sequences, then
+   * simply copies the aligned sequences to the unaligned sequences and returns
+   * true; else returns false
+   * 
+   * @param unaligned
+   * @param aligned
+   * @return
+   */
+  static boolean alignAsSameSequences(AlignmentI unaligned,
+          AlignmentI aligned)
+  {
+    if (aligned.getDataset() == null || unaligned.getDataset() == null)
+    {
+      return false; // should only pass alignments with datasets here
+    }
+
+    Map<SequenceI, SequenceI> alignedDatasets = new HashMap<SequenceI, SequenceI>();
+    for (SequenceI seq : aligned.getSequences())
+    {
+      alignedDatasets.put(seq.getDatasetSequence(), seq);
+    }
+
+    /*
+     * first pass - check whether all sequences to be aligned share a dataset
+     * sequence with an aligned sequence
+     */
+    for (SequenceI seq : unaligned.getSequences())
+    {
+      if (!alignedDatasets.containsKey(seq.getDatasetSequence()))
+      {
+        return false;
+      }
+    }
+
+    /*
+     * second pass - copy aligned sequences
+     */
+    for (SequenceI seq : unaligned.getSequences())
+    {
+      SequenceI alignedSequence = alignedDatasets.get(seq
+              .getDatasetSequence());
+      // TODO: getSequenceAsString() will be deprecated in the future
+      // TODO: need to leave to SequenceI implementor to update gaps
+      seq.setSequence(alignedSequence.getSequenceAsString());
+    }
+
+    return true;
+  }
+
+  /**
    * Returns a map whose key is alignment column number (base 1), and whose
    * values are a map of sequence characters in that column.
    *