Merge branch 'develop' into update_212_Dec_merge_with_21125_chamges
[jalview.git] / src / jalview / analysis / AlignmentUtils.java
index fdf66d0..6ac59ba 100644 (file)
  */
 package jalview.analysis;
 
-import static jalview.io.gff.GffConstants.CLINICAL_SIGNIFICANCE;
+import java.util.Locale;
 
+import java.util.ArrayList;
+import java.util.Arrays;
+import java.util.Collection;
+import java.util.Collections;
+import java.util.HashMap;
+import java.util.HashSet;
+import java.util.Iterator;
+import java.util.LinkedHashMap;
+import java.util.List;
+import java.util.Map;
+import java.util.Map.Entry;
+import java.util.NoSuchElementException;
+import java.util.Set;
+import java.util.SortedMap;
+import java.util.TreeMap;
+
+import jalview.bin.Console;
 import jalview.commands.RemoveGapColCommand;
 import jalview.datamodel.AlignedCodon;
 import jalview.datamodel.AlignedCodonFrame;
@@ -38,7 +55,6 @@ import jalview.datamodel.SequenceFeature;
 import jalview.datamodel.SequenceGroup;
 import jalview.datamodel.SequenceI;
 import jalview.datamodel.features.SequenceFeatures;
-import jalview.io.gff.Gff3Helper;
 import jalview.io.gff.SequenceOntologyI;
 import jalview.schemes.ResidueProperties;
 import jalview.util.Comparison;
@@ -46,25 +62,6 @@ import jalview.util.DBRefUtils;
 import jalview.util.IntRangeComparator;
 import jalview.util.MapList;
 import jalview.util.MappingUtils;
-import jalview.util.StringUtils;
-
-import java.io.UnsupportedEncodingException;
-import java.net.URLEncoder;
-import java.util.ArrayList;
-import java.util.Arrays;
-import java.util.Collection;
-import java.util.Collections;
-import java.util.HashMap;
-import java.util.HashSet;
-import java.util.Iterator;
-import java.util.LinkedHashMap;
-import java.util.List;
-import java.util.Map;
-import java.util.Map.Entry;
-import java.util.NoSuchElementException;
-import java.util.Set;
-import java.util.SortedMap;
-import java.util.TreeMap;
 
 /**
  * grab bag of useful alignment manipulation operations Expect these to be
@@ -187,10 +184,10 @@ public class AlignmentUtils
       // TODO use Character.toLowerCase to avoid creating String objects?
       char[] upstream = new String(ds
               .getSequence(s.getStart() - 1 - ustream_ds, s.getStart() - 1))
-                      .toLowerCase().toCharArray();
+                      .toLowerCase(Locale.ROOT).toCharArray();
       char[] downstream = new String(
-              ds.getSequence(s_end - 1, s_end + dstream_ds)).toLowerCase()
-                      .toCharArray();
+              ds.getSequence(s_end - 1, s_end + dstream_ds))
+                      .toLowerCase(Locale.ROOT).toCharArray();
       char[] coreseq = s.getSequence();
       char[] nseq = new char[offset + upstream.length + downstream.length
               + coreseq.length];
@@ -468,7 +465,8 @@ public class AlignmentUtils
     if (cdnaLength != mappedLength && cdnaLength > 2)
     {
       String lastCodon = String.valueOf(cdnaSeqChars,
-              cdnaLength - CODON_LENGTH, CODON_LENGTH).toUpperCase();
+              cdnaLength - CODON_LENGTH, CODON_LENGTH)
+              .toUpperCase(Locale.ROOT);
       for (String stop : ResidueProperties.STOP_CODONS)
       {
         if (lastCodon.equals(stop))
@@ -485,7 +483,8 @@ public class AlignmentUtils
      */
     int startOffset = 0;
     if (cdnaLength != mappedLength && cdnaLength > 2
-            && String.valueOf(cdnaSeqChars, 0, CODON_LENGTH).toUpperCase()
+            && String.valueOf(cdnaSeqChars, 0, CODON_LENGTH)
+                    .toUpperCase(Locale.ROOT)
                     .equals(ResidueProperties.START))
     {
       startOffset += CODON_LENGTH;
@@ -979,8 +978,8 @@ public class AlignmentUtils
             mapList = mapList.getInverse();
           }
           final int cdsLength = cdsDss.getLength();
-          int mappedFromLength = MappingUtils.getLength(mapList
-                  .getFromRanges());
+          int mappedFromLength = MappingUtils
+                  .getLength(mapList.getFromRanges());
           int mappedToLength = MappingUtils
                   .getLength(mapList.getToRanges());
           boolean addStopCodon = (cdsLength == mappedFromLength
@@ -1465,28 +1464,31 @@ public class AlignmentUtils
       final List<AlignmentAnnotation> result = new ArrayList<>();
       for (AlignmentAnnotation dsann : datasetAnnotations)
       {
-        /*
-         * Find matching annotations on the alignment. If none is found, then
-         * add this annotation to the list of 'addable' annotations for this
-         * sequence.
-         */
-        final Iterable<AlignmentAnnotation> matchedAlignmentAnnotations = al
-                .findAnnotations(seq, dsann.getCalcId(), dsann.label);
-        if (!matchedAlignmentAnnotations.iterator().hasNext())
+        if (dsann.annotations != null) // ignore non-positional annotation
         {
-          result.add(dsann);
-          if (labelForCalcId != null)
+          /*
+           * Find matching annotations on the alignment. If none is found, then
+           * add this annotation to the list of 'addable' annotations for this
+           * sequence.
+           */
+          final Iterable<AlignmentAnnotation> matchedAlignmentAnnotations = al
+                  .findAnnotations(seq, dsann.getCalcId(), dsann.label);
+          if (!matchedAlignmentAnnotations.iterator().hasNext())
           {
-            labelForCalcId.put(dsann.getCalcId(), dsann.label);
+            result.add(dsann);
+            if (labelForCalcId != null)
+            {
+              labelForCalcId.put(dsann.getCalcId(), dsann.label);
+            }
           }
         }
-      }
-      /*
-       * Save any addable annotations for this sequence
-       */
-      if (!result.isEmpty())
-      {
-        candidates.put(seq, result);
+        /*
+         * Save any addable annotations for this sequence
+         */
+        if (!result.isEmpty())
+        {
+          candidates.put(seq, result);
+        }
       }
     }
   }
@@ -1603,11 +1605,12 @@ public class AlignmentUtils
       return false;
     }
     String name = seq2.getName();
-    final DBRefEntry[] xrefs = seq1.getDBRefs();
+    final List<DBRefEntry> xrefs = seq1.getDBRefs();
     if (xrefs != null)
     {
-      for (DBRefEntry xref : xrefs)
+      for (int ix = 0, nx = xrefs.size(); ix < nx; ix++)
       {
+        DBRefEntry xref = xrefs.get(ix);
         String xrefName = xref.getSource() + "|" + xref.getAccessionId();
         // case-insensitive test, consistent with DBRefEntry.equalRef()
         if (xrefName.equalsIgnoreCase(name))
@@ -1653,8 +1656,8 @@ public class AlignmentUtils
       productSeqs = new HashSet<>();
       for (SequenceI seq : products)
       {
-        productSeqs.add(seq.getDatasetSequence() == null ? seq : seq
-                .getDatasetSequence());
+        productSeqs.add(seq.getDatasetSequence() == null ? seq
+                : seq.getDatasetSequence());
       }
     }
 
@@ -1737,15 +1740,8 @@ public class AlignmentUtils
 
           cdsSeqs.add(cdsSeq);
 
-          if (!dataset.getSequences().contains(cdsSeqDss))
-          {
-            // check if this sequence is a newly created one
-            // so needs adding to the dataset
-            dataset.addSequence(cdsSeqDss);
-          }
-
           /*
-           * add a mapping from CDS to the (unchanged) mapped to range
+           * build the mapping from CDS to protein
            */
           List<int[]> cdsRange = Collections
                   .singletonList(new int[]
@@ -1754,16 +1750,26 @@ public class AlignmentUtils
           MapList cdsToProteinMap = new MapList(cdsRange,
                   mapList.getToRanges(), mapList.getFromRatio(),
                   mapList.getToRatio());
-          AlignedCodonFrame cdsToProteinMapping = new AlignedCodonFrame();
-          cdsToProteinMapping.addMap(cdsSeqDss, proteinProduct,
-                  cdsToProteinMap);
 
-          /*
-           * guard against duplicating the mapping if repeating this action
-           */
-          if (!mappings.contains(cdsToProteinMapping))
+          if (!dataset.getSequences().contains(cdsSeqDss))
           {
-            mappings.add(cdsToProteinMapping);
+            /*
+             * if this sequence is a newly created one, add it to the dataset
+             * and made a CDS to protein mapping (if sequence already exists,
+             * CDS-to-protein mapping _is_ the transcript-to-protein mapping)
+             */
+            dataset.addSequence(cdsSeqDss);
+            AlignedCodonFrame cdsToProteinMapping = new AlignedCodonFrame();
+            cdsToProteinMapping.addMap(cdsSeqDss, proteinProduct,
+                    cdsToProteinMap);
+
+            /*
+             * guard against duplicating the mapping if repeating this action
+             */
+            if (!mappings.contains(cdsToProteinMapping))
+            {
+              mappings.add(cdsToProteinMapping);
+            }
           }
 
           propagateDBRefsToCDS(cdsSeqDss, dnaSeq.getDatasetSequence(),
@@ -1805,22 +1811,24 @@ public class AlignmentUtils
           // need to
           // synthesize an xref.
 
-          for (DBRefEntry primRef : dnaDss.getPrimaryDBRefs())
+          List<DBRefEntry> primrefs = dnaDss.getPrimaryDBRefs();
+          for (int ip = 0, np = primrefs.size(); ip < np; ip++)
           {
+            DBRefEntry primRef = primrefs.get(ip);
             /*
              * create a cross-reference from CDS to the source sequence's
              * primary reference and vice versa
              */
             String source = primRef.getSource();
             String version = primRef.getVersion();
-            DBRefEntry cdsCrossRef = new DBRefEntry(source, source + ":"
-                    + version, primRef.getAccessionId());
-            cdsCrossRef.setMap(new Mapping(dnaDss, new MapList(cdsToDnaMap)));
+            DBRefEntry cdsCrossRef = new DBRefEntry(source,
+                    source + ":" + version, primRef.getAccessionId());
+            cdsCrossRef
+                    .setMap(new Mapping(dnaDss, new MapList(cdsToDnaMap)));
             cdsSeqDss.addDBRef(cdsCrossRef);
 
-            dnaSeq.addDBRef(new DBRefEntry(source, version, cdsSeq
-                    .getName(), new Mapping(cdsSeqDss, dnaToCdsMap)));
-
+            dnaSeq.addDBRef(new DBRefEntry(source, version,
+                    cdsSeq.getName(), new Mapping(cdsSeqDss, dnaToCdsMap)));
             // problem here is that the cross-reference is synthesized -
             // cdsSeq.getName() may be like 'CDS|dnaaccession' or
             // 'CDS|emblcdsacc'
@@ -1829,11 +1837,10 @@ public class AlignmentUtils
             DBRefEntry proteinToCdsRef = new DBRefEntry(source, version,
                     cdsSeq.getName());
             //
-            proteinToCdsRef.setMap(new Mapping(cdsSeqDss, cdsToProteinMap
-                    .getInverse()));
+            proteinToCdsRef.setMap(
+                    new Mapping(cdsSeqDss, cdsToProteinMap.getInverse()));
             proteinProduct.addDBRef(proteinToCdsRef);
           }
-
           /*
            * transfer any features on dna that overlap the CDS
            */
@@ -1843,8 +1850,8 @@ public class AlignmentUtils
       }
     }
 
-    AlignmentI cds = new Alignment(cdsSeqs.toArray(new SequenceI[cdsSeqs
-            .size()]));
+    AlignmentI cds = new Alignment(
+            cdsSeqs.toArray(new SequenceI[cdsSeqs.size()]));
     cds.setDataset(dataset);
 
     return cds;
@@ -1997,45 +2004,31 @@ public class AlignmentUtils
 
     SequenceI newSeq = null;
 
-    final MapList maplist = mapping.getMap();
-    if (maplist.isContiguous() && maplist.isFromForwardStrand())
-    {
-      /*
-       * just a subsequence, keep same dataset sequence
-       */
-      int start = maplist.getFromLowest();
-      int end = maplist.getFromHighest();
-      newSeq = seq.getSubSequence(start - 1, end);
-      newSeq.setName(seqId);
-    }
-    else
-    {
-      /*
-       * construct by splicing mapped from ranges
-       */
-      char[] seqChars = seq.getSequence();
-      List<int[]> fromRanges = maplist.getFromRanges();
-      int cdsWidth = MappingUtils.getLength(fromRanges);
-      char[] newSeqChars = new char[cdsWidth];
+    /*
+     * construct CDS sequence by splicing mapped from ranges
+     */
+    char[] seqChars = seq.getSequence();
+    List<int[]> fromRanges = mapping.getMap().getFromRanges();
+    int cdsWidth = MappingUtils.getLength(fromRanges);
+    char[] newSeqChars = new char[cdsWidth];
 
-      int newPos = 0;
-      for (int[] range : fromRanges)
+    int newPos = 0;
+    for (int[] range : fromRanges)
+    {
+      if (range[0] <= range[1])
       {
-        if (range[0] <= range[1])
-        {
-          // forward strand mapping - just copy the range
-          int length = range[1] - range[0] + 1;
-          System.arraycopy(seqChars, range[0] - 1, newSeqChars, newPos,
-                  length);
-          newPos += length;
-        }
-        else
+        // forward strand mapping - just copy the range
+        int length = range[1] - range[0] + 1;
+        System.arraycopy(seqChars, range[0] - 1, newSeqChars, newPos,
+                length);
+        newPos += length;
+      }
+      else
+      {
+        // reverse strand mapping - copy and complement one by one
+        for (int i = range[0]; i >= range[1]; i--)
         {
-          // reverse strand mapping - copy and complement one by one
-          for (int i = range[0]; i >= range[1]; i--)
-          {
-            newSeqChars[newPos++] = Dna.getComplement(seqChars[i - 1]);
-          }
+          newSeqChars[newPos++] = Dna.getComplement(seqChars[i - 1]);
         }
       }
 
@@ -2069,8 +2062,8 @@ public class AlignmentUtils
           }
           else
           {
-            System.err.println(
-                    "JAL-2154 regression: warning - found (and ignnored a duplicate CDS sequence):"
+            Console.error(
+                    "JAL-2154 regression: warning - found (and ignored) a duplicate CDS sequence:"
                             + mtch.toString());
           }
         }
@@ -2099,13 +2092,15 @@ public class AlignmentUtils
     List<DBRefEntry> direct = new ArrayList<>();
     HashSet<String> directSources = new HashSet<>();
 
-    if (contig.getDBRefs() != null)
+    List<DBRefEntry> refs = contig.getDBRefs();
+    if (refs != null)
     {
-      for (DBRefEntry dbr : contig.getDBRefs())
+      for (int ib = 0, nb = refs.size(); ib < nb; ib++)
       {
-        if (dbr.hasMap() && dbr.getMap().getMap().isTripletMap())
+        DBRefEntry dbr = refs.get(ib);
+        MapList map;
+        if (dbr.hasMap() && (map = dbr.getMap().getMap()).isTripletMap())
         {
-          MapList map = dbr.getMap().getMap();
           // check if map is the CDS mapping
           if (mapping.getMap().equals(map))
           {
@@ -2115,21 +2110,22 @@ public class AlignmentUtils
         }
       }
     }
-    DBRefEntry[] onSource = DBRefUtils.selectRefs(
+    List<DBRefEntry> onSource = DBRefUtils.selectRefs(
             proteinProduct.getDBRefs(),
             directSources.toArray(new String[0]));
     List<DBRefEntry> propagated = new ArrayList<>();
 
     // and generate appropriate mappings
-    for (DBRefEntry cdsref : direct)
+    for (int ic = 0, nc = direct.size(); ic < nc; ic++)
     {
+      DBRefEntry cdsref = direct.get(ic);
+      Mapping m = cdsref.getMap();
       // clone maplist and mapping
       MapList cdsposmap = new MapList(
               Arrays.asList(new int[][]
               { new int[] { cdsSeq.getStart(), cdsSeq.getEnd() } }),
-              cdsref.getMap().getMap().getToRanges(), 3, 1);
-      Mapping cdsmap = new Mapping(cdsref.getMap().getTo(),
-              cdsref.getMap().getMap());
+              m.getMap().getToRanges(), 3, 1);
+      Mapping cdsmap = new Mapping(m.getTo(), m.getMap());
 
       // create dbref
       DBRefEntry newref = new DBRefEntry(cdsref.getSource(),
@@ -2192,9 +2188,9 @@ public class AlignmentUtils
     /*
      * get features, optionally restricted by an ontology term
      */
-    List<SequenceFeature> sfs = select == null ? fromSeq.getFeatures()
-            .getPositionalFeatures() : fromSeq.getFeatures()
-            .getFeaturesByOntology(select);
+    List<SequenceFeature> sfs = select == null
+            ? fromSeq.getFeatures().getPositionalFeatures()
+            : fromSeq.getFeatures().getFeaturesByOntology(select);
 
     int count = 0;
     for (SequenceFeature sf : sfs)
@@ -2339,8 +2335,8 @@ public class AlignmentUtils
   {
     List<int[]> result = new ArrayList<>();
 
-    List<SequenceFeature> sfs = dnaSeq.getFeatures().getFeaturesByOntology(
-            SequenceOntologyI.CDS);
+    List<SequenceFeature> sfs = dnaSeq.getFeatures()
+            .getFeaturesByOntology(SequenceOntologyI.CDS);
     if (sfs.isEmpty())
     {
       return result;
@@ -2352,10 +2348,14 @@ public class AlignmentUtils
       int phase = 0;
       try
       {
-        phase = Integer.parseInt(sf.getPhase());
+        String s = sf.getPhase();
+        if (s != null)
+        {
+          phase = Integer.parseInt(s);
+        }
       } catch (NumberFormatException e)
       {
-        // ignore
+        // leave as zero
       }
       /*
        * phase > 0 on first codon means 5' incomplete - skip to the start
@@ -2408,19 +2408,25 @@ public class AlignmentUtils
     SequenceIdMatcher matcher = new SequenceIdMatcher(seqs);
     if (xrefs != null)
     {
-      for (SequenceI xref : xrefs)
+      // BH 2019.01.25 recoded to remove iterators
+
+      for (int ix = 0, nx = xrefs.length; ix < nx; ix++)
       {
-        DBRefEntry[] dbrefs = xref.getDBRefs();
+        SequenceI xref = xrefs[ix];
+        List<DBRefEntry> dbrefs = xref.getDBRefs();
         if (dbrefs != null)
         {
-          for (DBRefEntry dbref : dbrefs)
+          for (int ir = 0, nir = dbrefs.size(); ir < nir; ir++)
           {
-            if (dbref.getMap() == null || dbref.getMap().getTo() == null
-                    || dbref.getMap().getTo().isProtein() != isProtein)
+            DBRefEntry dbref = dbrefs.get(ir);
+            Mapping map = dbref.getMap();
+            SequenceI mto;
+            if (map == null || (mto = map.getTo()) == null
+                    || mto.isProtein() != isProtein)
             {
               continue;
             }
-            SequenceI mappedTo = dbref.getMap().getTo();
+            SequenceI mappedTo = mto;
             SequenceI match = matcher.findIdMatch(mappedTo);
             if (match == null)
             {
@@ -2521,10 +2527,10 @@ public class AlignmentUtils
    * true; else returns false
    * 
    * @param unaligned
-   *                    - sequences to be aligned based on aligned
+   *          - sequences to be aligned based on aligned
    * @param aligned
-   *                    - 'guide' alignment containing sequences derived from same
-   *                    dataset as unaligned
+   *          - 'guide' alignment containing sequences derived from same dataset
+   *          as unaligned
    * @return
    */
   static boolean alignAsSameSequences(AlignmentI unaligned,
@@ -2560,8 +2566,7 @@ public class AlignmentUtils
       {
         return false;
       }
-      SequenceI alignedSeq = alignedDatasets.get(ds)
-              .get(0);
+      SequenceI alignedSeq = alignedDatasets.get(ds).get(0);
       int startCol = alignedSeq.findIndex(seq.getStart()); // 1..
       leftmost = Math.min(leftmost, startCol);
     }
@@ -2576,6 +2581,13 @@ public class AlignmentUtils
     {
       List<SequenceI> alignedSequences = alignedDatasets
               .get(seq.getDatasetSequence());
+      if (alignedSequences.isEmpty())
+      {
+        /*
+         * defensive check - shouldn't happen! (JAL-3536)
+         */
+        continue;
+      }
       SequenceI alignedSeq = alignedSequences.get(0);
 
       /*