JAL-3365 expand range of allowed DSSP secondary structure symbols in Stockholm files
[jalview.git] / test / jalview / io / StockholmFileTest.java
index d0561b0..b1995ab 100644 (file)
  */
 package jalview.io;
 
+import static org.testng.Assert.assertTrue;
 import static org.testng.AssertJUnit.assertEquals;
 import static org.testng.AssertJUnit.assertNotNull;
 import static org.testng.AssertJUnit.assertTrue;
 import static org.testng.AssertJUnit.fail;
 
-import jalview.datamodel.AlignmentAnnotation;
-import jalview.datamodel.AlignmentI;
-import jalview.datamodel.Annotation;
-import jalview.datamodel.SequenceFeature;
-import jalview.datamodel.SequenceI;
-
 import java.io.File;
+import java.util.Arrays;
 import java.util.BitSet;
 import java.util.HashMap;
+import java.util.List;
 import java.util.Map;
+import java.util.regex.Matcher;
+import java.util.regex.Pattern;
 
+import org.testng.Assert;
+import org.testng.annotations.BeforeClass;
 import org.testng.annotations.Test;
 
+import jalview.datamodel.Alignment;
+import jalview.datamodel.AlignmentAnnotation;
+import jalview.datamodel.AlignmentI;
+import jalview.datamodel.Annotation;
+import jalview.datamodel.DBRefEntry;
+import jalview.datamodel.Sequence;
+import jalview.datamodel.SequenceFeature;
+import jalview.datamodel.SequenceI;
+import jalview.gui.JvOptionPane;
+import jalview.util.DBRefUtils;
+
 public class StockholmFileTest
 {
 
+  @BeforeClass(alwaysRun = true)
+  public void setUpJvOptionPane()
+  {
+    JvOptionPane.setInteractiveMode(false);
+    JvOptionPane.setMockResponse(JvOptionPane.CANCEL_OPTION);
+  }
+
   static String PfamFile = "examples/PF00111_seed.stk",
-          RfamFile = "examples/RF00031_folded.stk";
+          RfamFile = "examples/RF00031_folded.stk",
+          RnaSSTestFile = "examples/rna_ss_test.stk";
 
   @Test(groups = { "Functional" })
   public void pfamFileIO() throws Exception
   {
-    testFileIOwithFormat(new File(PfamFile), FileFormat.Stockholm, -1, 0);
+    testFileIOwithFormat(new File(PfamFile), FileFormat.Stockholm, -1, 0,
+            false, false, false);
   }
 
   @Test(groups = { "Functional" })
@@ -72,7 +93,48 @@ public class StockholmFileTest
   @Test(groups = { "Functional" })
   public void rfamFileIO() throws Exception
   {
-    testFileIOwithFormat(new File(RfamFile), FileFormat.Stockholm, 2, 1);
+    testFileIOwithFormat(new File(RfamFile), FileFormat.Stockholm, 2, 1,
+            false, false, false);
+  }
+
+  /**
+   * JAL-3529 - verify uniprot refs for sequences are output for sequences
+   * retrieved via Pfam
+   */
+  @Test(groups = { "Functional" })
+  public void dbrefOutput() throws Exception
+  {
+    // sequences retrieved in a Pfam domain alignment also have a PFAM database
+    // reference
+    SequenceI sq = new Sequence("FER2_SPIOL", "AASSDDDFFF");
+    sq.addDBRef(new DBRefEntry("UNIPROT", "1", "P00224"));
+    sq.addDBRef(new DBRefEntry("PFAM", "1", "P00224.1"));
+    sq.addDBRef(new DBRefEntry("PFAM", "1", "PF00111"));
+    AppletFormatAdapter af = new AppletFormatAdapter();
+    String toStockholm = af.formatSequences(FileFormat.Stockholm,
+            new Alignment(new SequenceI[]
+            { sq }), false);
+    System.out.println(toStockholm);
+    // bleh - java.util.Regex sucks
+    assertTrue(
+            Pattern.compile(
+                    "^#=GS\\s+FER2_SPIOL(/\\d+-\\d+)?\\s+AC\\s+P00224$",
+                    Pattern.MULTILINE).matcher(toStockholm).find(),
+            "Couldn't locate UNIPROT Accession in generated Stockholm file.");
+    AlignmentI fromStockholm = af.readFile(toStockholm,
+            DataSourceType.PASTE, FileFormat.Stockholm);
+    SequenceI importedSeq = fromStockholm.getSequenceAt(0);
+    assertTrue(importedSeq.getDBRefs().size() == 1,
+            "Expected just one database reference to be added to sequence.");
+    assertTrue(
+            importedSeq.getDBRefs().get(0).getAccessionId()
+                    .indexOf(" ") == -1,
+            "Spaces were found in accession ID.");
+    List<DBRefEntry> dbrefs = DBRefUtils.searchRefs(importedSeq.getDBRefs(),
+            "P00224");
+    assertTrue(dbrefs.size() == 1,
+            "Couldn't find Uniprot DBRef on re-imported sequence.");
+
   }
 
   /**
@@ -84,10 +146,14 @@ public class StockholmFileTest
    * @param ioformat
    *          - label for IO class used to write and read back in the data from
    *          f
+   * @param ignoreFeatures
+   * @param ignoreRowVisibility
+   * @param allowNullAnnotations
    */
 
   public static void testFileIOwithFormat(File f, FileFormatI ioformat,
-          int naliannot, int nminseqann)
+          int naliannot, int nminseqann, boolean ignoreFeatures,
+          boolean ignoreRowVisibility, boolean allowNullAnnotations)
   {
     System.out.println("Reading file: " + f);
     String ff = f.getPath();
@@ -106,8 +172,8 @@ public class StockholmFileTest
         al.getSequenceAt(i).createDatasetSequence();
       }
       String outputfile = rf.formatSequences(ioformat, al, true);
-      System.out.println("Output file in '" + ioformat + "':\n"
-              + outputfile + "\n<<EOF\n");
+      System.out.println("Output file in '" + ioformat + "':\n" + outputfile
+              + "\n<<EOF\n");
       // test for consistency in io
       AlignmentI al_input = new AppletFormatAdapter().readFile(outputfile,
               DataSourceType.PASTE, ioformat);
@@ -121,7 +187,8 @@ public class StockholmFileTest
               "Identify routine could not recognise output generated by '"
                       + ioformat + "' writer",
               ioformat.equals(identifyoutput));
-      testAlignmentEquivalence(al, al_input, false);
+      testAlignmentEquivalence(al, al_input, ignoreFeatures,
+              ignoreRowVisibility, allowNullAnnotations);
       int numaliannot = 0, numsqswithali = 0;
       for (AlignmentAnnotation ala : al_input.getAlignmentAnnotation())
       {
@@ -142,7 +209,8 @@ public class StockholmFileTest
 
       assertTrue(
               "Number of sequence associated annotations wasn't at least "
-                      + nminseqann, numsqswithali >= nminseqann);
+                      + nminseqann,
+              numsqswithali >= nminseqann);
 
     } catch (Exception e)
     {
@@ -165,26 +233,60 @@ public class StockholmFileTest
   public static void testAlignmentEquivalence(AlignmentI al,
           AlignmentI al_input, boolean ignoreFeatures)
   {
+    testAlignmentEquivalence(al, al_input, ignoreFeatures, false, false);
+  }
+
+  /**
+   * assert alignment equivalence - uses special comparators for RNA structure
+   * annotation rows.
+   * 
+   * @param al
+   *          'original'
+   * @param al_input
+   *          'secondary' or generated alignment from some datapreserving
+   *          transformation
+   * @param ignoreFeatures
+   *          when true, differences in sequence feature annotation are ignored
+   * 
+   * @param ignoreRowVisibility
+   *          when true, do not fail if there are differences in the visibility
+   *          of annotation rows
+   * @param allowNullAnnotation
+   *          when true, positions in alignment annotation that are null will be
+   *          considered equal to positions containing annotation where
+   *          Annotation.isWhitespace() returns true.
+   * 
+   */
+  public static void testAlignmentEquivalence(AlignmentI al,
+          AlignmentI al_input, boolean ignoreFeatures,
+          boolean ignoreRowVisibility, boolean allowNullAnnotation)
+  {
     assertNotNull("Original alignment was null", al);
     assertNotNull("Generated alignment was null", al_input);
 
-    assertTrue("Alignment dimension mismatch: original: " + al.getHeight()
-            + "x" + al.getWidth() + ", generated: " + al_input.getHeight()
-            + "x" + al_input.getWidth(),
+    assertTrue(
+            "Alignment dimension mismatch: original: " + al.getHeight()
+                    + "x" + al.getWidth() + ", generated: "
+                    + al_input.getHeight() + "x" + al_input.getWidth(),
             al.getHeight() == al_input.getHeight()
                     && al.getWidth() == al_input.getWidth());
 
     // check Alignment annotation
     AlignmentAnnotation[] aa_new = al_input.getAlignmentAnnotation();
     AlignmentAnnotation[] aa_original = al.getAlignmentAnnotation();
+    boolean expectProteinSS = !al.isNucleotide();
+    assertTrue(
+            "Alignments not both "
+                    + (al.isNucleotide() ? "nucleotide" : "protein"),
+            al_input.isNucleotide() == al.isNucleotide());
 
     // note - at moment we do not distinguish between alignment without any
     // annotation rows and alignment with no annotation row vector
     // we might want to revise this in future
     int aa_new_size = (aa_new == null ? 0 : aa_new.length);
     int aa_original_size = (aa_original == null ? 0 : aa_original.length);
-    Map<Integer, BitSet> orig_groups = new HashMap<Integer, BitSet>();
-    Map<Integer, BitSet> new_groups = new HashMap<Integer, BitSet>();
+    Map<Integer, BitSet> orig_groups = new HashMap<>();
+    Map<Integer, BitSet> new_groups = new HashMap<>();
 
     if (aa_new != null && aa_original != null)
     {
@@ -192,18 +294,29 @@ public class StockholmFileTest
       {
         if (aa_new.length > i)
         {
-          assertTrue("Different alignment annotation at position " + i,
-                  equalss(aa_original[i], aa_new[i]));
+          assertEqualSecondaryStructure(
+                  "Different alignment annotation at position " + i,
+                  aa_original[i], aa_new[i], allowNullAnnotation);
+          if (aa_original[i].hasIcons)
+          {
+            assertTrue(
+                    "Secondary structure expected to be "
+                            + (expectProteinSS ? "protein" : "nucleotide"),
+                    expectProteinSS == !aa_original[i].isRNA());
+          }
           // compare graphGroup or graph properties - needed to verify JAL-1299
           assertEquals("Graph type not identical.", aa_original[i].graph,
                   aa_new[i].graph);
-          assertEquals("Visibility not identical.", aa_original[i].visible,
-                  aa_new[i].visible);
+          if (!ignoreRowVisibility)
+          {
+            assertEquals("Visibility not identical.",
+                    aa_original[i].visible, aa_new[i].visible);
+          }
           assertEquals("Threshold line not identical.",
                   aa_original[i].threshold, aa_new[i].threshold);
           // graphGroup may differ, but pattern should be the same
-          Integer o_ggrp = new Integer(aa_original[i].graphGroup + 2);
-          Integer n_ggrp = new Integer(aa_new[i].graphGroup + 2);
+          Integer o_ggrp = Integer.valueOf(aa_original[i].graphGroup + 2);
+          Integer n_ggrp = Integer.valueOf(aa_new[i].graphGroup + 2);
           BitSet orig_g = orig_groups.get(o_ggrp);
           BitSet new_g = new_groups.get(n_ggrp);
           if (orig_g == null)
@@ -233,9 +346,11 @@ public class StockholmFileTest
     // check sequences, annotation and features
     SequenceI[] seq_original = new SequenceI[al.getSequencesArray().length];
     seq_original = al.getSequencesArray();
-    SequenceI[] seq_new = new SequenceI[al_input.getSequencesArray().length];
+    SequenceI[] seq_new = new SequenceI[al_input
+            .getSequencesArray().length];
     seq_new = al_input.getSequencesArray();
-    SequenceFeature[] sequenceFeatures_original, sequenceFeatures_new;
+    List<SequenceFeature> sequenceFeatures_original;
+    List<SequenceFeature> sequenceFeatures_new;
     AlignmentAnnotation annot_original, annot_new;
     //
     for (int i = 0; i < al.getSequencesArray().length; i++)
@@ -243,8 +358,8 @@ public class StockholmFileTest
       String name = seq_original[i].getName();
       int start = seq_original[i].getStart();
       int end = seq_original[i].getEnd();
-      System.out.println("Check sequence: " + name + "/" + start + "-"
-              + end);
+      System.out
+              .println("Check sequence: " + name + "/" + start + "-" + end);
 
       // search equal sequence
       for (int in = 0; in < al_input.getSequencesArray().length; in++)
@@ -262,47 +377,48 @@ public class StockholmFileTest
                   "Sequence Features were not equivalent"
                           + (ignoreFeatures ? " ignoring." : ""),
                   ignoreFeatures
-                          || (seq_original[i].getSequenceFeatures() == null && seq_new[in]
-                                  .getSequenceFeatures() == null)
-                          || (seq_original[i].getSequenceFeatures() != null && seq_new[in]
-                                  .getSequenceFeatures() != null));
+                          || (seq_original[i].getSequenceFeatures() == null
+                                  && seq_new[in]
+                                          .getSequenceFeatures() == null)
+                          || (seq_original[i].getSequenceFeatures() != null
+                                  && seq_new[in]
+                                          .getSequenceFeatures() != null));
           // compare sequence features
           if (seq_original[i].getSequenceFeatures() != null
                   && seq_new[in].getSequenceFeatures() != null)
           {
             System.out.println("There are feature!!!");
-            sequenceFeatures_original = new SequenceFeature[seq_original[i]
-                    .getSequenceFeatures().length];
             sequenceFeatures_original = seq_original[i]
                     .getSequenceFeatures();
-            sequenceFeatures_new = new SequenceFeature[seq_new[in]
-                    .getSequenceFeatures().length];
             sequenceFeatures_new = seq_new[in].getSequenceFeatures();
 
             assertEquals("different number of features",
-                    seq_original[i].getSequenceFeatures().length,
-                    seq_new[in].getSequenceFeatures().length);
+                    seq_original[i].getSequenceFeatures().size(),
+                    seq_new[in].getSequenceFeatures().size());
 
-            for (int feat = 0; feat < seq_original[i].getSequenceFeatures().length; feat++)
+            for (int feat = 0; feat < seq_original[i].getSequenceFeatures()
+                    .size(); feat++)
             {
               assertEquals("Different features",
-                      sequenceFeatures_original[feat],
-                      sequenceFeatures_new[feat]);
+                      sequenceFeatures_original.get(feat),
+                      sequenceFeatures_new.get(feat));
             }
           }
           // compare alignment annotation
           if (al.getSequenceAt(i).getAnnotation() != null
                   && al_input.getSequenceAt(in).getAnnotation() != null)
           {
-            for (int j = 0; j < al.getSequenceAt(i).getAnnotation().length; j++)
+            for (int j = 0; j < al.getSequenceAt(i)
+                    .getAnnotation().length; j++)
             {
-              if (al.getSequenceAt(i).getAnnotation()[j] != null
-                      && al_input.getSequenceAt(in).getAnnotation()[j] != null)
+              if (al.getSequenceAt(i).getAnnotation()[j] != null && al_input
+                      .getSequenceAt(in).getAnnotation()[j] != null)
               {
                 annot_original = al.getSequenceAt(i).getAnnotation()[j];
                 annot_new = al_input.getSequenceAt(in).getAnnotation()[j];
-                assertTrue("Different annotation elements",
-                        equalss(annot_original, annot_new));
+                assertEqualSecondaryStructure(
+                        "Different annotation elements", annot_original,
+                        annot_new, allowNullAnnotation);
               }
             }
           }
@@ -324,39 +440,86 @@ public class StockholmFileTest
     }
   }
 
-  /*
-   * compare annotations
+  /**
+   * compare two annotation rows, with special support for secondary structure
+   * comparison. With RNA, only the value and the secondaryStructure symbols are
+   * compared, displayCharacter and description are ignored. Annotations where
+   * Annotation.isWhitespace() is true are always considered equal.
+   * 
+   * @param message
+   *          - not actually used yet..
+   * @param annot_or
+   *          - the original annotation
+   * @param annot_new
+   *          - the one compared to the original annotation
+   * @param allowNullEquivalence
+   *          when true, positions in alignment annotation that are null will be
+   *          considered equal to non-null positions for which
+   *          Annotation.isWhitespace() is true.
    */
-  private static boolean equalss(AlignmentAnnotation annot_or,
-          AlignmentAnnotation annot_new)
+  private static void assertEqualSecondaryStructure(String message,
+          AlignmentAnnotation annot_or, AlignmentAnnotation annot_new,
+          boolean allowNullEqivalence)
   {
+    // TODO: test to cover this assert behaves correctly for all allowed
+    // variations of secondary structure annotation row equivalence
     if (annot_or.annotations.length != annot_new.annotations.length)
     {
-      System.err.println("Different lengths for annotation row elements: "
+      fail("Different lengths for annotation row elements: "
               + annot_or.annotations.length + "!="
               + annot_new.annotations.length);
-      return false;
     }
+    boolean isRna = annot_or.isRNA();
+    assertTrue(
+            "Expected " + (isRna ? " valid RNA " : " no RNA ")
+                    + " secondary structure in the row.",
+            isRna == annot_new.isRNA());
     for (int i = 0; i < annot_or.annotations.length; i++)
     {
-      Annotation an_or = annot_or.annotations[i], an_new = annot_new.annotations[i];
+      Annotation an_or = annot_or.annotations[i],
+              an_new = annot_new.annotations[i];
       if (an_or != null && an_new != null)
       {
-        if (!an_or.displayCharacter.trim().equals(
-                an_new.displayCharacter.trim())
-                || !("" + an_or.secondaryStructure).trim().equals(
-                        ("" + an_new.secondaryStructure).trim())
-                || (an_or.description != an_new.description && !((an_or.description == null && an_new.description
-                        .trim().length() == 0)
-                        || (an_new.description == null && an_or.description
-                                .trim().length() == 0) || an_or.description
-                        .trim().equals(an_new.description.trim()))))
+
+        if (isRna)
         {
-          System.err.println("Annotation Element Mismatch\nElement " + i
-                  + " in original: " + annot_or.annotations[i].toString()
-                  + "\nElement " + i + " in new: "
-                  + annot_new.annotations[i].toString());
-          return false;
+          if (an_or.secondaryStructure != an_new.secondaryStructure
+                  || ((Float.isNaN(an_or.value) != Float
+                          .isNaN(an_new.value))
+                          || an_or.value != an_new.value))
+          {
+            fail("Different RNA secondary structure at column " + i
+                    + " expected: [" + annot_or.annotations[i].toString()
+                    + "] but got: [" + annot_new.annotations[i].toString()
+                    + "]");
+          }
+        }
+        else
+        {
+          // not RNA secondary structure, so expect all elements to match...
+          if ((an_or.isWhitespace() != an_new.isWhitespace())
+                  || !an_or.displayCharacter.trim()
+                          .equals(an_new.displayCharacter.trim())
+                  || !("" + an_or.secondaryStructure).trim()
+                          .equals(("" + an_new.secondaryStructure).trim())
+                  || (an_or.description != an_new.description
+                          && !((an_or.description == null
+                                  && an_new.description.trim()
+                                          .length() == 0)
+                                  || (an_new.description == null
+                                          && an_or.description.trim()
+                                                  .length() == 0)
+                                  || an_or.description.trim().equals(
+                                          an_new.description.trim())))
+                  || !((Float.isNaN(an_or.value)
+                          && Float.isNaN(an_new.value))
+                          || an_or.value == an_new.value))
+          {
+            fail("Annotation Element Mismatch\nElement " + i
+                    + " in original: " + annot_or.annotations[i].toString()
+                    + "\nElement " + i + " in new: "
+                    + annot_new.annotations[i].toString());
+          }
         }
       }
       else if (annot_or.annotations[i] == null
@@ -366,19 +529,395 @@ public class StockholmFileTest
       }
       else
       {
-        System.err.println("Annotation Element Mismatch\nElement "
-                + i
-                + " in original: "
-                + (annot_or.annotations[i] == null ? "is null"
-                        : annot_or.annotations[i].toString())
-                + "\nElement "
-                + i
-                + " in new: "
-                + (annot_new.annotations[i] == null ? "is null"
-                        : annot_new.annotations[i].toString()));
-        return false;
+        if (allowNullEqivalence)
+        {
+          if (an_or != null && an_or.isWhitespace())
+
+          {
+            continue;
+          }
+          if (an_new != null && an_new.isWhitespace())
+          {
+            continue;
+          }
+        }
+        // need also to test for null in one, non-SS annotation in other...
+        fail("Annotation Element Mismatch\nElement " + i + " in original: "
+                + (an_or == null ? "is null" : an_or.toString())
+                + "\nElement " + i + " in new: "
+                + (an_new == null ? "is null" : an_new.toString()));
+      }
+    }
+  }
+
+  /**
+   * @see assertEqualSecondaryStructure - test if two secondary structure
+   *      annotations are not equal
+   * @param message
+   * @param an_orig
+   * @param an_new
+   * @param allowNullEquivalence
+   */
+  public static void assertNotEqualSecondaryStructure(String message,
+          AlignmentAnnotation an_orig, AlignmentAnnotation an_new,
+          boolean allowNullEquivalence)
+  {
+    boolean thrown = false;
+    try
+    {
+      assertEqualSecondaryStructure("", an_orig, an_new,
+              allowNullEquivalence);
+    } catch (AssertionError af)
+    {
+      thrown = true;
+    }
+    if (!thrown)
+    {
+      fail("Expected difference for [" + an_orig + "] and [" + an_new
+              + "]");
+    }
+  }
+
+  private AlignmentAnnotation makeAnnot(Annotation ae)
+  {
+    return new AlignmentAnnotation("label", "description",
+            new Annotation[]
+            { ae });
+  }
+
+  @Test(groups = { "Functional" })
+  public void testAnnotationEquivalence()
+  {
+    AlignmentAnnotation one = makeAnnot(new Annotation("", "", ' ', 1));
+    AlignmentAnnotation anotherOne = makeAnnot(
+            new Annotation("", "", ' ', 1));
+    AlignmentAnnotation sheet = makeAnnot(new Annotation("", "", 'E', 0f));
+    AlignmentAnnotation anotherSheet = makeAnnot(
+            new Annotation("", "", 'E', 0f));
+    AlignmentAnnotation sheetWithLabel = makeAnnot(
+            new Annotation("1", "", 'E', 0f));
+    AlignmentAnnotation anotherSheetWithLabel = makeAnnot(
+            new Annotation("1", "", 'E', 0f));
+    AlignmentAnnotation rnaNoDC = makeAnnot(
+            new Annotation("", "", '<', 0f));
+    AlignmentAnnotation anotherRnaNoDC = makeAnnot(
+            new Annotation("", "", '<', 0f));
+    AlignmentAnnotation rnaWithDC = makeAnnot(
+            new Annotation("B", "", '<', 0f));
+    AlignmentAnnotation anotherRnaWithDC = makeAnnot(
+            new Annotation("B", "", '<', 0f));
+
+    // check self equivalence
+    for (boolean allowNull : new boolean[] { true, false })
+    {
+      assertEqualSecondaryStructure("Should be equal", one, anotherOne,
+              allowNull);
+      assertEqualSecondaryStructure("Should be equal", sheet, anotherSheet,
+              allowNull);
+      assertEqualSecondaryStructure("Should be equal", sheetWithLabel,
+              anotherSheetWithLabel, allowNull);
+      assertEqualSecondaryStructure("Should be equal", rnaNoDC,
+              anotherRnaNoDC, allowNull);
+      assertEqualSecondaryStructure("Should be equal", rnaWithDC,
+              anotherRnaWithDC, allowNull);
+      // display character doesn't matter for RNA structure (for 2.10.2)
+      assertEqualSecondaryStructure("Should be equal", rnaWithDC, rnaNoDC,
+              allowNull);
+      assertEqualSecondaryStructure("Should be equal", rnaNoDC, rnaWithDC,
+              allowNull);
+    }
+
+    // verify others are different
+    List<AlignmentAnnotation> aaSet = Arrays.asList(one, sheet,
+            sheetWithLabel, rnaWithDC);
+    for (int p = 0; p < aaSet.size(); p++)
+    {
+      for (int q = 0; q < aaSet.size(); q++)
+      {
+        if (p != q)
+        {
+          assertNotEqualSecondaryStructure("Should be different",
+                  aaSet.get(p), aaSet.get(q), false);
+        }
+        else
+        {
+          assertEqualSecondaryStructure("Should be same", aaSet.get(p),
+                  aaSet.get(q), false);
+          assertEqualSecondaryStructure("Should be same", aaSet.get(p),
+                  aaSet.get(q), true);
+          assertNotEqualSecondaryStructure(
+                  "Should be different to empty anot", aaSet.get(p),
+                  makeAnnot(Annotation.EMPTY_ANNOTATION), false);
+          assertNotEqualSecondaryStructure(
+                  "Should be different to empty annot",
+                  makeAnnot(Annotation.EMPTY_ANNOTATION), aaSet.get(q),
+                  true);
+          assertNotEqualSecondaryStructure("Should be different to null",
+                  aaSet.get(p), makeAnnot(null), false);
+          assertNotEqualSecondaryStructure("Should be different to null",
+                  makeAnnot(null), aaSet.get(q), true);
+        }
       }
     }
-    return true;
+
+    // test null
+
+  }
+
+  String aliFile = ">Dm\nAAACCCUUUUACACACGGGAAAGGG";
+
+  String annFile = "JALVIEW_ANNOTATION\n# Created: Thu May 04 11:16:52 BST 2017\n\n"
+          + "SEQUENCE_REF\tDm\nNO_GRAPH\tsecondary structure\tsecondary structure\t"
+          + "(|(|(|(|, .|, .|, .|, .|)|)|)|)|\t0.0\nROWPROPERTIES\t"
+          + "secondary structure\tscaletofit=true\tshowalllabs=true\tcentrelabs=false";
+
+  String annFileCurlyWuss = "JALVIEW_ANNOTATION\n# Created: Thu May 04 11:16:52 BST 2017\n\n"
+          + "SEQUENCE_REF\tDm\nNO_GRAPH\tsecondary structure\tsecondary structure\t"
+          + "(|(|(|(||{|{||{|{||)|)|)|)||}|}|}|}|\t0.0\nROWPROPERTIES\t"
+          + "secondary structure\tscaletofit=true\tshowalllabs=true\tcentrelabs=false";
+
+  String annFileFullWuss = "JALVIEW_ANNOTATION\n# Created: Thu May 04 11:16:52 BST 2017\n\n"
+          + "SEQUENCE_REF\tDm\nNO_GRAPH\tsecondary structure\tsecondary structure\t"
+          + "(|(|(|(||{|{||[|[||)|)|)|)||}|}|]|]|\t0.0\nROWPROPERTIES\t"
+          + "secondary structure\tscaletofit=true\tshowalllabs=true\tcentrelabs=false";
+
+  @Test(groups = { "Functional" })
+  public void secondaryStructureForRNASequence() throws Exception
+  {
+    roundTripSSForRNA(aliFile, annFile);
+  }
+
+  @Test(groups = { "Functional" })
+  public void curlyWUSSsecondaryStructureForRNASequence() throws Exception
+  {
+    roundTripSSForRNA(aliFile, annFileCurlyWuss);
+  }
+
+  @Test(groups = { "Functional" })
+  public void fullWUSSsecondaryStructureForRNASequence() throws Exception
+  {
+    roundTripSSForRNA(aliFile, annFileFullWuss);
+  }
+
+  @Test(groups = { "Functional" })
+  public void detectWussBrackets()
+  {
+    for (char ch : new char[] { '{', '}', '[', ']', '(', ')', '<', '>' })
+    {
+      Assert.assertTrue(StockholmFile.RNASS_BRACKETS.indexOf(ch) >= 0,
+              "Didn't recognise '" + ch + "' as a WUSS bracket");
+    }
+    for (char ch : new char[] { '@', '!', '*', ' ', '-', '.' })
+    {
+      Assert.assertFalse(StockholmFile.RNASS_BRACKETS.indexOf(ch) >= 0,
+              "Shouldn't recognise '" + ch + "' as a WUSS bracket");
+    }
+  }
+
+  private static void roundTripSSForRNA(String aliFile, String annFile)
+          throws Exception
+  {
+    AlignmentI al = new AppletFormatAdapter().readFile(aliFile,
+            DataSourceType.PASTE, jalview.io.FileFormat.Fasta);
+    AnnotationFile aaf = new AnnotationFile();
+    aaf.readAnnotationFile(al, annFile, DataSourceType.PASTE);
+    al.getAlignmentAnnotation()[0].visible = true;
+
+    // TODO: create a better 'save as <format>' pattern
+    StockholmFile sf = new StockholmFile(al);
+
+    String stockholmFile = sf.print(al.getSequencesArray(), true);
+
+    AlignmentI newAl = new AppletFormatAdapter().readFile(stockholmFile,
+            DataSourceType.PASTE, jalview.io.FileFormat.Stockholm);
+    // AlignmentUtils.showOrHideSequenceAnnotations(newAl.getViewport()
+    // .getAlignment(), Arrays.asList("Secondary Structure"), newAl
+    // .getViewport().getAlignment().getSequences(), true, true);
+    testAlignmentEquivalence(al, newAl, true, true, true);
+
+  }
+
+  // this is the single sequence alignment and the SS annotations equivalent to
+  // the ones in file RnaSSTestFile
+  String aliFileRnaSS = ">Test.sequence/1-14\n" + "GUACAAAAAAAAAA";
+
+  String annFileRnaSSAlphaChars = "JALVIEW_ANNOTATION\n"
+          + "# Created: Thu Aug 02 14:54:57 BST 2018\n" + "\n"
+          + "NO_GRAPH\tSecondary Structure\tSecondary Structure\t<,<|(,(|E,E|H,H|B,B|h,h|e,e|b,b|(,(|E,E|),)|e,e|),)|>,>|\t2.0\n"
+          + "\n"
+          + "ROWPROPERTIES\tSecondary Structure\tscaletofit=true\tshowalllabs=true\tcentrelabs=false\n"
+          + "\n" + "\n" + "ALIGNMENT\tID=RNA.SS.TEST\tTP=RNA;";
+
+  String wrongAnnFileRnaSSAlphaChars = "JALVIEW_ANNOTATION\n"
+          + "# Created: Thu Aug 02 14:54:57 BST 2018\n" + "\n"
+          + "NO_GRAPH\tSecondary Structure\tSecondary Structure\t<,<|(,(|H,H|E,E|B,B|h,h|e,e|b,b|(,(|E,E|),)|e,e|),)|>,>|\t2.0\n"
+          + "\n"
+          + "ROWPROPERTIES\tSecondary Structure\tscaletofit=true\tshowalllabs=true\tcentrelabs=false\n"
+          + "\n" + "\n" + "ALIGNMENT\tID=RNA.SS.TEST\tTP=RNA;";
+
+  @Test(groups = { "Functional" })
+  public void stockholmFileRnaSSAlphaChars() throws Exception
+  {
+    AppletFormatAdapter af = new AppletFormatAdapter();
+    AlignmentI al = af.readFile(RnaSSTestFile, DataSourceType.FILE,
+            jalview.io.FileFormat.Stockholm);
+    Iterable<AlignmentAnnotation> aai = al.findAnnotations(null, null,
+            "Secondary Structure");
+    AlignmentAnnotation aa = aai.iterator().next();
+    Assert.assertTrue(aa.isRNA(),
+            "'" + RnaSSTestFile + "' not recognised as RNA SS");
+    Assert.assertTrue(aa.isValidStruc(),
+            "'" + RnaSSTestFile + "' not recognised as valid structure");
+    Annotation[] as = aa.annotations;
+    char[] As = new char[as.length];
+    for (int i = 0; i < as.length; i++)
+    {
+      As[i] = as[i].secondaryStructure;
+    }
+    char[] shouldBe = { '<', '(', 'E', 'H', 'B', 'h', 'e', 'b', '(', 'E',
+        ')', 'e', ')', '>' };
+    Assert.assertTrue(Arrays.equals(As, shouldBe), "Annotation is "
+            + new String(As) + " but should be " + new String(shouldBe));
+
+    // this should result in the same RNA SS Annotations
+    AlignmentI newAl = new AppletFormatAdapter().readFile(aliFileRnaSS,
+            DataSourceType.PASTE, jalview.io.FileFormat.Fasta);
+    AnnotationFile aaf = new AnnotationFile();
+    aaf.readAnnotationFile(newAl, annFileRnaSSAlphaChars,
+            DataSourceType.PASTE);
+
+    Assert.assertTrue(
+            testRnaSSAnnotationsEquivalent(al.getAlignmentAnnotation()[0],
+                    newAl.getAlignmentAnnotation()[0]),
+            "RNA SS Annotations SHOULD be pair-wise equivalent (but apparently aren't): \n"
+                    + "RNA SS A 1:" + al.getAlignmentAnnotation()[0] + "\n"
+                    + "RNA SS A 2:" + newAl.getAlignmentAnnotation()[0]);
+
+    // this should NOT result in the same RNA SS Annotations
+    newAl = new AppletFormatAdapter().readFile(aliFileRnaSS,
+            DataSourceType.PASTE, jalview.io.FileFormat.Fasta);
+    aaf = new AnnotationFile();
+    aaf.readAnnotationFile(newAl, wrongAnnFileRnaSSAlphaChars,
+            DataSourceType.PASTE);
+
+    boolean mismatch = testRnaSSAnnotationsEquivalent(
+            al.getAlignmentAnnotation()[0],
+            newAl.getAlignmentAnnotation()[0]);
+    Assert.assertFalse(mismatch,
+            "RNA SS Annotations SHOULD NOT be pair-wise equivalent (but apparently are): \n"
+                    + "RNA SS A 1:" + al.getAlignmentAnnotation()[0] + "\n"
+                    + "RNA SS A 2:" + newAl.getAlignmentAnnotation()[0]);
+  }
+
+  private static boolean testRnaSSAnnotationsEquivalent(
+          AlignmentAnnotation a1, AlignmentAnnotation a2)
+  {
+    return a1.rnaSecondaryStructureEquivalent(a2);
+  }
+
+  String annFileRnaSSWithSpaceChars = "JALVIEW_ANNOTATION\n"
+          + "# Created: Thu Aug 02 14:54:57 BST 2018\n" + "\n"
+          + "NO_GRAPH\tSecondary Structure\tSecondary Structure\t<,<|.,.|H,H| , |B,B|h,h| , |b,b|(,(|E,E|.,.|e,e|),)|>,>|\t2.0\n"
+          + "\n"
+          + "ROWPROPERTIES\tSecondary Structure\tscaletofit=true\tshowalllabs=true\tcentrelabs=false\n"
+          + "\n" + "\n" + "ALIGNMENT\tID=RNA.SS.TEST\tTP=RNA;";
+
+  String annFileRnaSSWithoutSpaceChars = "JALVIEW_ANNOTATION\n"
+          + "# Created: Thu Aug 02 14:54:57 BST 2018\n" + "\n"
+          + "NO_GRAPH\tSecondary Structure\tSecondary Structure\t<,<|.,.|H,H|.,.|B,B|h,h|.,.|b,b|(,(|E,E|.,.|e,e|),)|>,>|\t2.0\n"
+          + "\n"
+          + "ROWPROPERTIES\tSecondary Structure\tscaletofit=true\tshowalllabs=true\tcentrelabs=false\n"
+          + "\n" + "\n" + "ALIGNMENT\tID=RNA.SS.TEST\tTP=RNA;";
+
+  String wrongAnnFileRnaSSWithoutSpaceChars = "JALVIEW_ANNOTATION\n"
+          + "# Created: Thu Aug 02 14:54:57 BST 2018\n" + "\n"
+          + "NO_GRAPH\tSecondary Structure\tSecondary Structure\t<,<|.,.|H,H|Z,Z|B,B|h,h|z,z|b,b|(,(|E,E|.,.|e,e|),)|>,>|\t2.0\n"
+          + "\n"
+          + "ROWPROPERTIES\tSecondary Structure\tscaletofit=true\tshowalllabs=true\tcentrelabs=false\n"
+          + "\n" + "\n" + "ALIGNMENT\tID=RNA.SS.TEST\tTP=RNA;";
+
+  @Test(groups = { "Functional" })
+  public void stockholmFileRnaSSSpaceChars() throws Exception
+  {
+    AlignmentI alWithSpaces = new AppletFormatAdapter().readFile(
+            aliFileRnaSS, DataSourceType.PASTE,
+            jalview.io.FileFormat.Fasta);
+    AnnotationFile afWithSpaces = new AnnotationFile();
+    afWithSpaces.readAnnotationFile(alWithSpaces,
+            annFileRnaSSWithSpaceChars, DataSourceType.PASTE);
+
+    Iterable<AlignmentAnnotation> aaiWithSpaces = alWithSpaces
+            .findAnnotations(null, null, "Secondary Structure");
+    AlignmentAnnotation aaWithSpaces = aaiWithSpaces.iterator().next();
+    Assert.assertTrue(aaWithSpaces.isRNA(),
+            "'" + aaWithSpaces + "' not recognised as RNA SS");
+    Assert.assertTrue(aaWithSpaces.isValidStruc(),
+            "'" + aaWithSpaces + "' not recognised as valid structure");
+    Annotation[] annWithSpaces = aaWithSpaces.annotations;
+    char[] As = new char[annWithSpaces.length];
+    for (int i = 0; i < annWithSpaces.length; i++)
+    {
+      As[i] = annWithSpaces[i].secondaryStructure;
+    }
+    // check all spaces and dots are spaces in the internal representation
+    char[] shouldBe = { '<', ' ', 'H', ' ', 'B', 'h', ' ', 'b', '(', 'E',
+        ' ', 'e', ')', '>' };
+    Assert.assertTrue(Arrays.equals(As, shouldBe), "Annotation is "
+            + new String(As) + " but should be " + new String(shouldBe));
+
+    // this should result in the same RNA SS Annotations
+    AlignmentI alWithoutSpaces = new AppletFormatAdapter().readFile(
+            aliFileRnaSS, DataSourceType.PASTE,
+            jalview.io.FileFormat.Fasta);
+    AnnotationFile afWithoutSpaces = new AnnotationFile();
+    afWithoutSpaces.readAnnotationFile(alWithoutSpaces,
+            annFileRnaSSWithoutSpaceChars, DataSourceType.PASTE);
+
+    Assert.assertTrue(
+            testRnaSSAnnotationsEquivalent(
+                    alWithSpaces.getAlignmentAnnotation()[0],
+                    alWithoutSpaces.getAlignmentAnnotation()[0]),
+            "RNA SS Annotations SHOULD be pair-wise equivalent (but apparently aren't): \n"
+                    + "RNA SS A 1:"
+                    + alWithSpaces.getAlignmentAnnotation()[0]
+                            .getRnaSecondaryStructure()
+                    + "\n" + "RNA SS A 2:"
+                    + alWithoutSpaces.getAlignmentAnnotation()[0]
+                            .getRnaSecondaryStructure());
+
+    // this should NOT result in the same RNA SS Annotations
+    AlignmentI wrongAlWithoutSpaces = new AppletFormatAdapter().readFile(
+            aliFileRnaSS, DataSourceType.PASTE,
+            jalview.io.FileFormat.Fasta);
+    AnnotationFile wrongAfWithoutSpaces = new AnnotationFile();
+    wrongAfWithoutSpaces.readAnnotationFile(wrongAlWithoutSpaces,
+            wrongAnnFileRnaSSWithoutSpaceChars, DataSourceType.PASTE);
+
+    Assert.assertFalse(
+            testRnaSSAnnotationsEquivalent(
+                    alWithSpaces.getAlignmentAnnotation()[0],
+                    wrongAlWithoutSpaces.getAlignmentAnnotation()[0]),
+            "RNA SS Annotations SHOULD NOT be pair-wise equivalent (but apparently are): \n"
+                    + "RNA SS A 1:"
+                    + alWithSpaces.getAlignmentAnnotation()[0]
+                            .getRnaSecondaryStructure()
+                    + "\n" + "RNA SS A 2:"
+                    + wrongAlWithoutSpaces.getAlignmentAnnotation()[0]
+                            .getRnaSecondaryStructure());
+
+    // check no spaces in the output
+    // TODO: create a better 'save as <format>' pattern
+    alWithSpaces.getAlignmentAnnotation()[0].visible = true;
+    StockholmFile sf = new StockholmFile(alWithSpaces);
+
+    String stockholmFile = sf.print(alWithSpaces.getSequencesArray(), true);
+    Pattern noSpacesInRnaSSAnnotation = Pattern
+            .compile("\\n#=GC SS_cons\\s+\\S{14}\\n");
+    Matcher m = noSpacesInRnaSSAnnotation.matcher(stockholmFile);
+    boolean matches = m.find();
+    Assert.assertTrue(matches,
+            "StockholmFile output does not contain expected output (may contain spaces):\n"
+                    + stockholmFile);
+
   }
 }