JAL-3899 Refactor sequence de/uniquification.
authorMateusz Warowny <mmzwarowny@dundee.ac.uk>
Wed, 6 Oct 2021 14:23:13 +0000 (16:23 +0200)
committerMateusz Warowny <mmzwarowny@dundee.ac.uk>
Wed, 6 Oct 2021 14:41:34 +0000 (16:41 +0200)
src/jalview/analysis/SeqsetUtils.java
test/jalview/analysis/SeqsetUtilsTest.java

index 4118124..6683e3b 100755 (executable)
@@ -27,13 +27,36 @@ import jalview.datamodel.Sequence;
 import jalview.datamodel.SequenceFeature;
 import jalview.datamodel.SequenceI;
 
+import java.util.ArrayList;
 import java.util.Enumeration;
+import java.util.HashMap;
 import java.util.Hashtable;
+import java.util.Iterator;
 import java.util.List;
+import java.util.Map;
+import java.util.Objects;
+import java.util.Optional;
 import java.util.Vector;
 
 public class SeqsetUtils
 {
+  public static class SequenceInfo {
+    private String name;
+    private int start;
+    private int end;
+    private Optional<String> description = Optional.empty();
+    private Optional<List<SequenceFeature>> features = Optional.empty();
+    private Optional<List<PDBEntry>> pdbId = Optional.empty();
+    private Optional<SequenceI> dataset = Optional.empty();
+    private Optional<HiddenMarkovModel> hmm = Optional.empty();
+    private Optional<AlignmentAnnotation[]> searchScores = Optional.empty();
+
+    private SequenceInfo(String name, int start, int end) {
+      this.name = name;
+      this.start = start;
+      this.end = end;
+    }
+  }
 
   /**
    * Store essential properties of a sequence in a hashtable for later recovery
@@ -43,44 +66,24 @@ public class SeqsetUtils
    *          SequenceI
    * @return Hashtable
    */
-  public static Hashtable SeqCharacterHash(SequenceI seq)
+  public static SequenceInfo SeqCharacterHash(SequenceI seq)
   {
-    Hashtable sqinfo = new Hashtable();
-    sqinfo.put("Name", seq.getName());
-    sqinfo.put("Start", Integer.valueOf(seq.getStart()));
-    sqinfo.put("End", Integer.valueOf(seq.getEnd()));
-    if (seq.getDescription() != null)
-    {
-      sqinfo.put("Description", seq.getDescription());
-    }
-
-    Vector<SequenceFeature> sfeat = new Vector<>();
-    List<SequenceFeature> sfs = seq.getFeatures().getAllFeatures();
-    sfeat.addAll(sfs);
-
-    if (seq.getDatasetSequence() == null)
-    {
-      sqinfo.put("SeqFeatures", sfeat);
-      sqinfo.put("PdbId",
-              (seq.getAllPDBEntries() != null) ? seq.getAllPDBEntries()
-                      : new Vector<PDBEntry>());
-    }
-    else
+    SequenceInfo sqinfo = new SequenceInfo(seq.getName(), seq.getStart(), seq.getEnd());
+    sqinfo.description = Optional.ofNullable(seq.getDescription());
+    sqinfo.dataset = Optional.ofNullable(seq.getDatasetSequence());
+    if (!sqinfo.dataset.isPresent())
     {
-      sqinfo.put("datasetSequence",
-              (seq.getDatasetSequence() != null) ? seq.getDatasetSequence()
-                      : new Sequence("THISISAPLACEHOLDER", ""));
+      ArrayList<SequenceFeature> feats = new ArrayList<>(
+          seq.getFeatures().getAllFeatures());
+      sqinfo.features = Optional.of(feats);
+      sqinfo.pdbId = Optional.of(Objects.requireNonNullElse(
+          seq.getAllPDBEntries(), new ArrayList<>()));
     }
     if (seq.hasHMMProfile())
     {
-      sqinfo.put("HMM", seq.getHMM());
-    }
-
-    if (seq.getAnnotation("Search Scores") != null)
-    {
-      sqinfo.put("Score", seq.getAnnotation("Search Scores"));
+      sqinfo.hmm = Optional.of(seq.getHMM());
     }
-
+    sqinfo.searchScores = Optional.ofNullable(seq.getAnnotation("Search Scores"));
     return sqinfo;
   }
 
@@ -94,76 +97,41 @@ public class SeqsetUtils
    *          Hashtable
    * @return boolean true if name was not updated from sqinfo Name entry
    */
-  public static boolean SeqCharacterUnhash(SequenceI sq, Hashtable sqinfo)
+  public static boolean SeqCharacterUnhash(SequenceI sq, SequenceInfo sqinfo)
   {
-    boolean namePresent = true;
     if (sqinfo == null)
     {
       return false;
     }
-    String oldname = (String) sqinfo.get("Name");
-    Integer start = (Integer) sqinfo.get("Start");
-    Integer end = (Integer) sqinfo.get("End");
-    Vector<SequenceFeature> sfeatures = (Vector<SequenceFeature>) sqinfo
-            .get("SeqFeatures");
-    Vector<PDBEntry> pdbid = (Vector<PDBEntry>) sqinfo.get("PdbId");
-    String description = (String) sqinfo.get("Description");
-    Sequence seqds = (Sequence) sqinfo.get("datasetSequence");
-    HiddenMarkovModel hmm = (HiddenMarkovModel) sqinfo.get("HMM");
-    AlignmentAnnotation[] scores = (AlignmentAnnotation[]) sqinfo
-            .get("Score");
-
-    if (oldname == null)
-    {
-      namePresent = false;
-    }
-    else
+    if (sqinfo.name != null)
     {
-      sq.setName(oldname);
+      sq.setName(sqinfo.name);
     }
-    if (pdbid != null && pdbid.size() > 0)
+    sq.setStart(sqinfo.start);
+    sq.setEnd(sqinfo.end);
+    if (sqinfo.pdbId.isPresent() && !sqinfo.pdbId.get().isEmpty())
+      sq.setPDBId(new Vector<>(sqinfo.pdbId.get()));
+    if (sqinfo.features.isPresent() && !sqinfo.features.get().isEmpty())
+      sq.setSequenceFeatures(sqinfo.features.get());
+    if (sqinfo.description.isPresent())
+      sq.setDescription(sqinfo.description.get());
+    if (sqinfo.dataset.isPresent())
     {
-      sq.setPDBId(pdbid);
+      assert sqinfo.features.isEmpty() :
+        "Setting dataset sequence for a sequence which has sequence features. " +
+          "Dataset sequence features will not be visible.";
+      sq.setDatasetSequence(sqinfo.dataset.get());
     }
-
-    if ((start != null) && (end != null))
-    {
-      sq.setStart(start.intValue());
-      sq.setEnd(end.intValue());
-    }
-
-    if (sfeatures != null && !sfeatures.isEmpty())
-    {
-      sq.setSequenceFeatures(sfeatures);
-    }
-    if (description != null)
-    {
-      sq.setDescription(description);
-    }
-    if ((seqds != null) && !(seqds.getName().equals("THISISAPLACEHOLDER")
-            && seqds.getLength() == 0))
-    {
-      if (sfeatures != null)
-      {
-        System.err.println(
-                "Implementation error: setting dataset sequence for a sequence which has sequence features.\n\tDataset sequence features will not be visible.");
-      }
-      sq.setDatasetSequence(seqds);
-    }
-
-    if (hmm != null)
-    {
-      sq.setHMM(new HiddenMarkovModel(hmm, sq));
-    }
-
-    if (scores != null)
+    if (sqinfo.hmm.isPresent())
+      sq.setHMM(new HiddenMarkovModel(sqinfo.hmm.get(), sq));
+    if (sqinfo.searchScores.isPresent())
     {
-      for (AlignmentAnnotation score : scores)
+      for (AlignmentAnnotation score : sqinfo.searchScores.get())
       {
         sq.addAlignmentAnnotation(score);
       }
     }
-    return namePresent;
+    return sqinfo.name != null;
   }
 
   /**
@@ -176,7 +144,7 @@ public class SeqsetUtils
    */
   public static String unique_name(int i)
   {
-    return new String("Sequence" + i);
+    return String.format("Sequence%d", i);
   }
 
   /**
@@ -193,12 +161,12 @@ public class SeqsetUtils
    * @see deuniquify to recover original names (and properties) for renamed
    *      sequences
    */
-  public static Hashtable uniquify(SequenceI[] sequences,
+  public static Map<String, SequenceInfo> uniquify(SequenceI[] sequences,
           boolean write_names)
   {
     // Generate a safely named sequence set and a hash to recover the sequence
     // names
-    Hashtable map = new Hashtable();
+    HashMap<String, SequenceInfo> map = new HashMap<>();
     // String[] un_names = new String[sequences.length];
 
     for (int i = 0; i < sequences.length; i++)
@@ -226,7 +194,8 @@ public class SeqsetUtils
    *          SequenceI[]
    * @return boolean
    */
-  public static boolean deuniquify(Hashtable map, SequenceI[] sequences)
+  public static boolean deuniquify(Map<String, SequenceInfo> map,
+      SequenceI[] sequences)
   {
     return deuniquify(map, sequences, true);
   }
@@ -245,25 +214,25 @@ public class SeqsetUtils
    *          map.
    * @return boolean
    */
-  public static boolean deuniquify(Hashtable map, SequenceI[] sequences,
-          boolean quiet)
+  public static boolean deuniquify(Map<String, SequenceInfo> map,
+      SequenceI[] sequences, boolean quiet)
   {
     jalview.analysis.SequenceIdMatcher matcher = new SequenceIdMatcher(
             sequences);
     SequenceI msq = null;
-    Enumeration keys = map.keys();
-    Vector unmatched = new Vector();
+    Iterator<String> keys = map.keySet().iterator();
+    Vector<SequenceI> unmatched = new Vector<>();
     for (int i = 0, j = sequences.length; i < j; i++)
     {
       unmatched.addElement(sequences[i]);
     }
-    while (keys.hasMoreElements())
+    while (keys.hasNext())
     {
-      Object key = keys.nextElement();
+      String key = keys.next();
       try {
         if ((msq = matcher.findIdMatch((String) key)) != null)
         {
-          Hashtable sqinfo = (Hashtable) map.get(key);
+          SequenceInfo sqinfo = map.get(key);
           unmatched.removeElement(msq);
           SeqCharacterUnhash(msq, sqinfo);
         }
@@ -285,11 +254,10 @@ public class SeqsetUtils
     if (unmatched.size() > 0 && !quiet)
     {
       System.err.println("Did not find matches for :");
-      for (Enumeration i = unmatched.elements(); i
-              .hasMoreElements(); System.out
-                      .println(((SequenceI) i.nextElement()).getName()))
+      for (Enumeration<SequenceI> i = unmatched.elements();
+          i.hasMoreElements();)
       {
-        ;
+        System.out.println(((SequenceI) i.nextElement()).getName());
       }
       return false;
     }
index 9839ba0..ddb3d2a 100644 (file)
@@ -28,6 +28,7 @@ import jalview.datamodel.SequenceI;
 import jalview.gui.JvOptionPane;
 
 import java.util.Hashtable;
+import java.util.Map;
 
 import org.testng.Assert;
 import org.testng.annotations.BeforeClass;
@@ -65,7 +66,7 @@ public class SeqsetUtilsTest
     SequenceFeature sf1 = new SequenceFeature("f1", "foo", 2, 3, "far");
     SequenceFeature sf2 = new SequenceFeature("f2", "foo", 2, 3, "far");
     ds.getSequenceAt(0).addSequenceFeature(sf1);
-    Hashtable unq = SeqsetUtils.uniquify(sqset, true);
+    Map<String, SeqsetUtils.SequenceInfo> unq = SeqsetUtils.uniquify(sqset, true);
     SequenceI[] sqset2 = new SequenceI[] {
         new Sequence(sqset[0].getName(), sqset[0].getSequenceAsString()),
         new Sequence(sqset[1].getName(), sqset[1].getSequenceAsString()) };