JAL-3365 expand range of allowed DSSP secondary structure symbols in Stockholm files
[jalview.git] / test / jalview / io / StockholmFileTest.java
index 9fdd7b9..b1995ab 100644 (file)
@@ -26,17 +26,6 @@ import static org.testng.AssertJUnit.assertNotNull;
 import static org.testng.AssertJUnit.assertTrue;
 import static org.testng.AssertJUnit.fail;
 
-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;
-
 import java.io.File;
 import java.util.Arrays;
 import java.util.BitSet;
@@ -50,6 +39,17 @@ 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
 {
 
@@ -119,16 +119,16 @@ public class StockholmFileTest
     assertTrue(
             Pattern.compile(
                     "^#=GS\\s+FER2_SPIOL(/\\d+-\\d+)?\\s+AC\\s+P00224$",
-                    Pattern.MULTILINE).matcher(toStockholm)
-                    .find(),
+                    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().length == 1,
+    assertTrue(importedSeq.getDBRefs().size() == 1,
             "Expected just one database reference to be added to sequence.");
     assertTrue(
-            importedSeq.getDBRefs()[0].getAccessionId().indexOf(" ") == -1,
+            importedSeq.getDBRefs().get(0).getAccessionId()
+                    .indexOf(" ") == -1,
             "Spaces were found in accession ID.");
     List<DBRefEntry> dbrefs = DBRefUtils.searchRefs(importedSeq.getDBRefs(),
             "P00224");
@@ -142,11 +142,10 @@ public class StockholmFileTest
    * with no dataloss
    * 
    * @param f
-   *                               - source datafile (IdentifyFile.identify()
-   *                               should work with it)
+   *          - source datafile (IdentifyFile.identify() should work with it)
    * @param ioformat
-   *                               - label for IO class used to write and read
-   *                               back in the data from f
+   *          - label for IO class used to write and read back in the data from
+   *          f
    * @param ignoreFeatures
    * @param ignoreRowVisibility
    * @param allowNullAnnotations
@@ -173,8 +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);
@@ -210,7 +209,8 @@ public class StockholmFileTest
 
       assertTrue(
               "Number of sequence associated annotations wasn't at least "
-                      + nminseqann, numsqswithali >= nminseqann);
+                      + nminseqann,
+              numsqswithali >= nminseqann);
 
     } catch (Exception e)
     {
@@ -264,15 +264,21 @@ public class StockholmFileTest
     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
@@ -291,14 +297,20 @@ public class StockholmFileTest
           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);
           if (!ignoreRowVisibility)
           {
             assertEquals("Visibility not identical.",
-                    aa_original[i].visible,
-                  aa_new[i].visible);
+                    aa_original[i].visible, aa_new[i].visible);
           }
           assertEquals("Threshold line not identical.",
                   aa_original[i].threshold, aa_new[i].threshold);
@@ -334,7 +346,8 @@ 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();
     List<SequenceFeature> sequenceFeatures_original;
     List<SequenceFeature> sequenceFeatures_new;
@@ -345,8 +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++)
@@ -364,10 +377,12 @@ 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)
@@ -377,9 +392,9 @@ public class StockholmFileTest
                     .getSequenceFeatures();
             sequenceFeatures_new = seq_new[in].getSequenceFeatures();
 
-            assertEquals("different number of features", seq_original[i]
-                    .getSequenceFeatures().size(), seq_new[in]
-                    .getSequenceFeatures().size());
+            assertEquals("different number of features",
+                    seq_original[i].getSequenceFeatures().size(),
+                    seq_new[in].getSequenceFeatures().size());
 
             for (int feat = 0; feat < seq_original[i].getSequenceFeatures()
                     .size(); feat++)
@@ -393,10 +408,11 @@ public class StockholmFileTest
           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];
@@ -454,12 +470,14 @@ public class StockholmFileTest
               + annot_new.annotations.length);
     }
     boolean isRna = annot_or.isRNA();
-    assertTrue("Expected " + (isRna ? " valid RNA " : " no RNA ")
-            + " secondary structure in the row.",
+    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)
       {
 
@@ -467,7 +485,8 @@ public class StockholmFileTest
         {
           if (an_or.secondaryStructure != an_new.secondaryStructure
                   || ((Float.isNaN(an_or.value) != Float
-                          .isNaN(an_new.value)) || an_or.value != an_new.value))
+                          .isNaN(an_new.value))
+                          || an_or.value != an_new.value))
           {
             fail("Different RNA secondary structure at column " + i
                     + " expected: [" + annot_or.annotations[i].toString()
@@ -479,17 +498,22 @@ public class StockholmFileTest
         {
           // 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))
+                  || !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()
@@ -549,34 +573,40 @@ public class StockholmFileTest
     }
     if (!thrown)
     {
-      fail("Expected difference for [" + an_orig + "] and [" + an_new + "]");
+      fail("Expected difference for [" + an_orig + "] and [" + an_new
+              + "]");
     }
   }
+
   private AlignmentAnnotation makeAnnot(Annotation ae)
   {
-    return new AlignmentAnnotation("label", "description", new Annotation[]
-    { ae });
+    return new AlignmentAnnotation("label", "description",
+            new Annotation[]
+            { ae });
   }
 
-  @Test(groups={"Functional"})
+  @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));
-    
+    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 })
     {
@@ -607,7 +637,7 @@ public class StockholmFileTest
         if (p != q)
         {
           assertNotEqualSecondaryStructure("Should be different",
-                    aaSet.get(p), aaSet.get(q), false);
+                  aaSet.get(p), aaSet.get(q), false);
         }
         else
         {
@@ -635,6 +665,7 @@ public class StockholmFileTest
   }
 
   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"
@@ -644,6 +675,7 @@ public class StockholmFileTest
           + "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"
@@ -681,6 +713,7 @@ public class StockholmFileTest
               "Shouldn't recognise '" + ch + "' as a WUSS bracket");
     }
   }
+
   private static void roundTripSSForRNA(String aliFile, String annFile)
           throws Exception
   {
@@ -706,20 +739,22 @@ public class StockholmFileTest
 
   // 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 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
   {
@@ -741,14 +776,11 @@ public class StockholmFileTest
     }
     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));
+    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,
+    AlignmentI newAl = new AppletFormatAdapter().readFile(aliFileRnaSS,
             DataSourceType.PASTE, jalview.io.FileFormat.Fasta);
     AnnotationFile aaf = new AnnotationFile();
     aaf.readAnnotationFile(newAl, annFileRnaSSAlphaChars,
@@ -762,14 +794,14 @@ public class StockholmFileTest
                     + "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);
+    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],
+    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"
@@ -778,8 +810,7 @@ public class StockholmFileTest
   }
 
   private static boolean testRnaSSAnnotationsEquivalent(
-          AlignmentAnnotation a1,
-          AlignmentAnnotation a2)
+          AlignmentAnnotation a1, AlignmentAnnotation a2)
   {
     return a1.rnaSecondaryStructureEquivalent(a2);
   }
@@ -790,6 +821,7 @@ public class StockholmFileTest
           + "\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"
@@ -839,8 +871,7 @@ public class StockholmFileTest
             jalview.io.FileFormat.Fasta);
     AnnotationFile afWithoutSpaces = new AnnotationFile();
     afWithoutSpaces.readAnnotationFile(alWithoutSpaces,
-            annFileRnaSSWithoutSpaceChars,
-            DataSourceType.PASTE);
+            annFileRnaSSWithoutSpaceChars, DataSourceType.PASTE);
 
     Assert.assertTrue(
             testRnaSSAnnotationsEquivalent(
@@ -860,8 +891,7 @@ public class StockholmFileTest
             jalview.io.FileFormat.Fasta);
     AnnotationFile wrongAfWithoutSpaces = new AnnotationFile();
     wrongAfWithoutSpaces.readAnnotationFile(wrongAlWithoutSpaces,
-            wrongAnnFileRnaSSWithoutSpaceChars,
-            DataSourceType.PASTE);
+            wrongAnnFileRnaSSWithoutSpaceChars, DataSourceType.PASTE);
 
     Assert.assertFalse(
             testRnaSSAnnotationsEquivalent(