JAL-2049 revised computePeptideVariants to transfer id, clinical_sig
[jalview.git] / test / jalview / analysis / AlignmentUtilsTests.java
index 810ef5f..d811bef 100644 (file)
@@ -26,6 +26,7 @@ import static org.testng.AssertJUnit.assertNull;
 import static org.testng.AssertJUnit.assertSame;
 import static org.testng.AssertJUnit.assertTrue;
 
+import jalview.analysis.AlignmentUtils.DnaVariant;
 import jalview.datamodel.AlignedCodonFrame;
 import jalview.datamodel.Alignment;
 import jalview.datamodel.AlignmentAnnotation;
@@ -1733,56 +1734,62 @@ public class AlignmentUtilsTests
     /*
      * first with no variants on dna
      */
-    LinkedHashMap<Integer, List<String[][]>> variantsMap = AlignmentUtils
+    LinkedHashMap<Integer, List<DnaVariant>[]> variantsMap = AlignmentUtils
             .buildDnaVariantsMap(dna, map);
     assertTrue(variantsMap.isEmpty());
 
     /*
      * single allele codon 1, on base 1
      */
-    SequenceFeature sf = new SequenceFeature("sequence_variant", "", 1, 1,
+    SequenceFeature sf1 = new SequenceFeature("sequence_variant", "", 1, 1,
             0f, null);
-    sf.setValue("alleles", "T");
-    sf.setValue("ID", "sequence_variant:rs758803211");
-    dna.addSequenceFeature(sf);
+    sf1.setValue("alleles", "T");
+    sf1.setValue("ID", "sequence_variant:rs758803211");
+    dna.addSequenceFeature(sf1);
 
     /*
      * two alleles codon 2, on bases 2 and 3 (distinct variants)
      */
-    sf = new SequenceFeature("sequence_variant", "", 5, 5, 0f, null);
-    sf.setValue("alleles", "T");
-    sf.setValue("ID", "sequence_variant:rs758803212");
-    dna.addSequenceFeature(sf);
-    sf = new SequenceFeature("sequence_variant", "", 6, 6, 0f, null);
-    sf.setValue("alleles", "G");
-    sf.setValue("ID", "sequence_variant:rs758803213");
-    dna.addSequenceFeature(sf);
+    SequenceFeature sf2 = new SequenceFeature("sequence_variant", "", 5, 5,
+            0f, null);
+    sf2.setValue("alleles", "T");
+    sf2.setValue("ID", "sequence_variant:rs758803212");
+    dna.addSequenceFeature(sf2);
+    SequenceFeature sf3 = new SequenceFeature("sequence_variant", "", 6, 6,
+            0f, null);
+    sf3.setValue("alleles", "G");
+    sf3.setValue("ID", "sequence_variant:rs758803213");
+    dna.addSequenceFeature(sf3);
 
     /*
      * two alleles codon 3, both on base 2 (one variant)
      */
-    sf = new SequenceFeature("sequence_variant", "", 8, 8, 0f, null);
-    sf.setValue("alleles", "C, G");
-    sf.setValue("ID", "sequence_variant:rs758803214");
-    dna.addSequenceFeature(sf);
+    SequenceFeature sf4 = new SequenceFeature("sequence_variant", "", 8, 8,
+            0f, null);
+    sf4.setValue("alleles", "C, G");
+    sf4.setValue("ID", "sequence_variant:rs758803214");
+    dna.addSequenceFeature(sf4);
 
     // no alleles on codon 4
 
     /*
      * alleles on codon 5 on all 3 bases (distinct variants)
      */
-    sf = new SequenceFeature("sequence_variant", "", 13, 13, 0f, null);
-    sf.setValue("alleles", "C, G"); // (C duplicates given base value)
-    sf.setValue("ID", "sequence_variant:rs758803215");
-    dna.addSequenceFeature(sf);
-    sf = new SequenceFeature("sequence_variant", "", 14, 14, 0f, null);
-    sf.setValue("alleles", "g, a"); // should force to upper-case
-    sf.setValue("ID", "sequence_variant:rs758803216");
-    dna.addSequenceFeature(sf);
-    sf = new SequenceFeature("sequence_variant", "", 15, 15, 0f, null);
-    sf.setValue("alleles", "A, T");
-    sf.setValue("ID", "sequence_variant:rs758803217");
-    dna.addSequenceFeature(sf);
+    SequenceFeature sf5 = new SequenceFeature("sequence_variant", "", 13,
+            13, 0f, null);
+    sf5.setValue("alleles", "C, G"); // (C duplicates given base value)
+    sf5.setValue("ID", "sequence_variant:rs758803215");
+    dna.addSequenceFeature(sf5);
+    SequenceFeature sf6 = new SequenceFeature("sequence_variant", "", 14,
+            14, 0f, null);
+    sf6.setValue("alleles", "g, a"); // should force to upper-case
+    sf6.setValue("ID", "sequence_variant:rs758803216");
+    dna.addSequenceFeature(sf6);
+    SequenceFeature sf7 = new SequenceFeature("sequence_variant", "", 15,
+            15, 0f, null);
+    sf7.setValue("alleles", "A, T");
+    sf7.setValue("ID", "sequence_variant:rs758803217");
+    dna.addSequenceFeature(sf7);
 
     /*
      * build map - expect variants on positions 1, 2, 3, 5
@@ -1791,39 +1798,68 @@ public class AlignmentUtilsTests
     assertEquals(4, variantsMap.size());
 
     /*
-     * one variant on protein position 1
-     */
-    assertEquals(1, variantsMap.get(1).size());
-    assertTrue(Arrays.deepEquals(new String[][] { { "A", "T" }, { "T" },
-        { "G" } }, variantsMap.get(1).get(0)));
-
-    /*
-     * two variants on protein position 2
-     */
-    assertEquals(2, variantsMap.get(2).size());
-    assertTrue(Arrays.deepEquals(new String[][] { { "A" }, { "A", "T" },
-        { "A" } }, variantsMap.get(2).get(0)));
-    assertTrue(Arrays.deepEquals(new String[][] { { "A" }, { "A" },
-        { "A", "G" } }, variantsMap.get(2).get(1)));
-
-    /*
-     * one variant on protein position 3
-     */
-    assertEquals(1, variantsMap.get(3).size());
-    assertTrue(Arrays.deepEquals(new String[][] { { "T" },
-        { "T", "C", "G" }, { "T" } }, variantsMap.get(3).get(0)));
+     * protein residue 1: variant on codon (ATG) base 1, not on 2 or 3
+     */
+    List<DnaVariant>[] pep1Variants = variantsMap.get(1);
+    assertEquals(3, pep1Variants.length);
+    assertEquals(1, pep1Variants[0].size());
+    assertEquals("A", pep1Variants[0].get(0).base); // codon[1] base
+    assertSame(sf1, pep1Variants[0].get(0).variant); // codon[1] variant
+    assertEquals(1, pep1Variants[1].size());
+    assertEquals("T", pep1Variants[1].get(0).base); // codon[2] base
+    assertNull(pep1Variants[1].get(0).variant); // no variant here
+    assertEquals(1, pep1Variants[2].size());
+    assertEquals("G", pep1Variants[2].get(0).base); // codon[3] base
+    assertNull(pep1Variants[2].get(0).variant); // no variant here
+
+    /*
+     * protein residue 2: variants on codon (AAA) bases 2 and 3
+     */
+    List<DnaVariant>[] pep2Variants = variantsMap.get(2);
+    assertEquals(3, pep2Variants.length);
+    assertEquals(1, pep2Variants[0].size());
+    // codon[1] base recorded while processing variant on codon[2]
+    assertEquals("A", pep2Variants[0].get(0).base);
+    assertNull(pep2Variants[0].get(0).variant); // no variant here
+    // codon[2] base and variant:
+    assertEquals(1, pep2Variants[1].size());
+    assertEquals("A", pep2Variants[1].get(0).base);
+    assertSame(sf2, pep2Variants[1].get(0).variant);
+    // codon[3] base was recorded when processing codon[2] variant
+    // and then the variant for codon[3] added to it
+    assertEquals(1, pep2Variants[2].size());
+    assertEquals("A", pep2Variants[2].get(0).base);
+    assertSame(sf3, pep2Variants[2].get(0).variant);
+
+    /*
+     * protein residue 3: variants on codon (TTT) base 2 only
+     */
+    List<DnaVariant>[] pep3Variants = variantsMap.get(3);
+    assertEquals(3, pep3Variants.length);
+    assertEquals(1, pep3Variants[0].size());
+    assertEquals("T", pep3Variants[0].get(0).base); // codon[1] base
+    assertNull(pep3Variants[0].get(0).variant); // no variant here
+    assertEquals(1, pep3Variants[1].size());
+    assertEquals("T", pep3Variants[1].get(0).base); // codon[2] base
+    assertSame(sf4, pep3Variants[1].get(0).variant); // codon[2] variant
+    assertEquals(1, pep3Variants[2].size());
+    assertEquals("T", pep3Variants[2].get(0).base); // codon[3] base
+    assertNull(pep3Variants[2].get(0).variant); // no variant here
 
     /*
      * three variants on protein position 5
-     * duplicated bases are not removed here, handled in computePeptideVariants
-     */
-    assertEquals(3, variantsMap.get(5).size());
-    assertTrue(Arrays.deepEquals(new String[][] { { "C", "C", "G" },
-        { "C" }, { "C" } }, variantsMap.get(5).get(0)));
-    assertTrue(Arrays.deepEquals(new String[][] { { "C" },
-        { "C", "G", "A" }, { "C" } }, variantsMap.get(5).get(1)));
-    assertTrue(Arrays.deepEquals(new String[][] { { "C" }, { "C" },
-        { "C", "A", "T" } }, variantsMap.get(5).get(2)));
+     */
+    List<DnaVariant>[] pep5Variants = variantsMap.get(5);
+    assertEquals(3, pep5Variants.length);
+    assertEquals(1, pep5Variants[0].size());
+    assertEquals("C", pep5Variants[0].get(0).base); // codon[1] base
+    assertSame(sf5, pep5Variants[0].get(0).variant); // codon[1] variant
+    assertEquals(1, pep5Variants[1].size());
+    assertEquals("C", pep5Variants[1].get(0).base); // codon[2] base
+    assertSame(sf6, pep5Variants[1].get(0).variant); // codon[2] variant
+    assertEquals(1, pep5Variants[2].size());
+    assertEquals("C", pep5Variants[2].get(0).base); // codon[3] base
+    assertSame(sf7, pep5Variants[2].get(0).variant); // codon[3] variant
   }
 
   /**
@@ -1833,67 +1869,154 @@ public class AlignmentUtilsTests
   @Test(groups = "Functional")
   public void testComputePeptideVariants()
   {
-    String[][] codonVariants = new String[][] { { "A" }, { "G" }, { "T" } };
-  
     /*
-     * AGT codes for S - this is not included in the variants returned
+     * scenario: AAATTTCCC codes for KFP, with variants
+     *           GAA -> E
+     *           CAA -> Q
+     *           AAG synonymous
+     *           AAT -> N
+     *              TTC synonymous
+     *                 CAC,CGC -> H,R (as one variant)
      */
-    List<String> variants = AlignmentUtils.computePeptideVariants(codonVariants, "S");
-    assertEquals("[]", variants.toString());
-  
-    // S is reported if it differs from the current value (A):
-    variants = AlignmentUtils.computePeptideVariants(codonVariants, "A");
-    assertEquals("[S]", variants.toString());
-  
-    /*
-     * synonymous variant is not reported
-     */
-    codonVariants = new String[][] { { "A" }, { "G" }, { "C", "T" } };
-    // AGC and AGT both code for S
-    variants = AlignmentUtils.computePeptideVariants(codonVariants, "s");
-    assertEquals("[]", variants.toString());
-  
+    SequenceI peptide = new Sequence("pep/10-12", "KFP");
+
     /*
-     * equivalent variants are only reported once
+     * two distinct variants for codon 1 position 1
+     * second one has clinical significance
      */
-    codonVariants = new String[][] { { "C" }, { "T" },
-        { "A", "C", "G", "T" } };
-    // CTA CTC CTG CTT all code for L
-    variants = AlignmentUtils.computePeptideVariants(codonVariants, "S");
-    assertEquals("[L]", variants.toString());
-  
+    SequenceFeature sf1 = new SequenceFeature("sequence_variant", "", 1, 1,
+            0f, null);
+    sf1.setValue("alleles", "A,G"); // GAA -> E
+    sf1.setValue("ID", "var1.125A>G");
+    SequenceFeature sf2 = new SequenceFeature("sequence_variant", "", 1, 1,
+            0f, null);
+    sf2.setValue("alleles", "A,C"); // CAA -> Q
+    sf2.setValue("ID", "var2");
+    sf2.setValue("clinical_significance", "Dodgy");
+    SequenceFeature sf3 = new SequenceFeature("sequence_variant", "", 3, 3,
+            0f, null);
+    sf3.setValue("alleles", "A,G"); // synonymous
+    sf3.setValue("ID", "var3");
+    sf3.setValue("clinical_significance", "None");
+    SequenceFeature sf4 = new SequenceFeature("sequence_variant", "", 3, 3,
+            0f, null);
+    sf4.setValue("alleles", "A,T"); // AAT -> N
+    sf4.setValue("ID", "sequence_variant:var4"); // prefix gets stripped off
+    sf4.setValue("clinical_significance", "Benign");
+    SequenceFeature sf5 = new SequenceFeature("sequence_variant", "", 6, 6,
+            0f, null);
+    sf5.setValue("alleles", "T,C"); // synonymous
+    sf5.setValue("ID", "var5");
+    sf5.setValue("clinical_significance", "Bad");
+    SequenceFeature sf6 = new SequenceFeature("sequence_variant", "", 8, 8,
+            0f, null);
+    sf6.setValue("alleles", "C,A,G"); // CAC,CGC -> H,R
+    sf6.setValue("ID", "var6");
+    sf6.setValue("clinical_significance", "Good");
+
+    List<DnaVariant> codon1Variants = new ArrayList<DnaVariant>();
+    List<DnaVariant> codon2Variants = new ArrayList<DnaVariant>();
+    List<DnaVariant> codon3Variants = new ArrayList<DnaVariant>();
+    List<DnaVariant> codonVariants[] = new ArrayList[3];
+    codonVariants[0] = codon1Variants;
+    codonVariants[1] = codon2Variants;
+    codonVariants[2] = codon3Variants;
+
     /*
-     * vary codons 1 and 2; variant products are sorted and non-redundant
+     * compute variants for protein position 1
      */
-    codonVariants = new String[][] { { "a", "C" }, { "g", "T" }, { "A" } };
-    // aga ata cga cta code for R, I, R, L
-    variants = AlignmentUtils.computePeptideVariants(codonVariants, "S");
-    assertEquals("[I, L, R]", variants.toString());
-  
+    codon1Variants.add(new DnaVariant("A", sf1));
+    codon1Variants.add(new DnaVariant("A", sf2));
+    codon2Variants.add(new DnaVariant("A"));
+    codon2Variants.add(new DnaVariant("A"));
+    codon3Variants.add(new DnaVariant("A", sf3));
+    codon3Variants.add(new DnaVariant("A", sf4));
+    AlignmentUtils.computePeptideVariants(peptide, 1, codonVariants);
+
     /*
-     * vary codons 2 and 3
+     * compute variants for protein position 2
      */
-    codonVariants = new String[][] { { "a" }, { "g", "T" }, { "A", "c" } };
-    // aga agc ata atc code for R, S, I, I
-    variants = AlignmentUtils.computePeptideVariants(codonVariants, "S");
-    assertEquals("[I, R]", variants.toString());
-  
+    codon1Variants.clear();
+    codon2Variants.clear();
+    codon3Variants.clear();
+    codon1Variants.add(new DnaVariant("T"));
+    codon2Variants.add(new DnaVariant("T"));
+    codon3Variants.add(new DnaVariant("T", sf5));
+    AlignmentUtils.computePeptideVariants(peptide, 2, codonVariants);
+
     /*
-     * vary codons 1 and 3
+     * compute variants for protein position 3
      */
-    codonVariants = new String[][] { { "a", "t" }, { "a" }, { "t", "g" } };
-    // aat aag tat tag code for N, K, Y, STOP - STOP sorted to end
-    variants = AlignmentUtils.computePeptideVariants(codonVariants, "S");
-    assertEquals("[K, N, Y, STOP]", variants.toString());
-  
+    codon1Variants.clear();
+    codon2Variants.clear();
+    codon3Variants.clear();
+    codon1Variants.add(new DnaVariant("C"));
+    codon2Variants.add(new DnaVariant("C", sf6));
+    codon3Variants.add(new DnaVariant("C"));
+    AlignmentUtils.computePeptideVariants(peptide, 3, codonVariants);
+
     /*
-     * vary codons 1, 2 and 3
+     * verify added sequence features for
+     * var1 K -> E
+     * var2 K -> Q
+     * var4 K -> N
+     * var6 P -> H
+     * var6 P -> R
      */
-    codonVariants = new String[][] { { "a", "t" }, { "G", "C" },
-        { "t", "g" } };
-    // agt agg act acg tgt tgg tct tcg code for S, R, T, T, C, W, S, S
-    variants = AlignmentUtils.computePeptideVariants(codonVariants, "S");
-    assertEquals("[C, R, T, W]", variants.toString());
+    SequenceFeature[] sfs = peptide.getSequenceFeatures();
+    assertEquals(5, sfs.length);
+    SequenceFeature sf = sfs[0];
+    assertEquals(1, sf.getBegin());
+    assertEquals(1, sf.getEnd());
+    assertEquals("K->E", sf.getDescription());
+    assertEquals("var1.125A>G", sf.getValue("ID"));
+    assertNull(sf.getValue("clinical_significance"));
+    assertEquals(1, sf.links.size());
+    // link to variation is urlencoded
+    assertEquals(
+            "K->E var1.125A>G|http://www.ensembl.org/Homo_sapiens/Variation/Summary?v=var1.125A%3EG",
+            sf.links.get(0));
+    sf = sfs[1];
+    assertEquals(1, sf.getBegin());
+    assertEquals(1, sf.getEnd());
+    assertEquals("K->Q", sf.getDescription());
+    assertEquals("var2", sf.getValue("ID"));
+    assertEquals("Dodgy", sf.getValue("clinical_significance"));
+    assertEquals(1, sf.links.size());
+    assertEquals(
+            "K->Q var2|http://www.ensembl.org/Homo_sapiens/Variation/Summary?v=var2",
+            sf.links.get(0));
+    sf = sfs[2];
+    assertEquals(1, sf.getBegin());
+    assertEquals(1, sf.getEnd());
+    assertEquals("K->N", sf.getDescription());
+    assertEquals("var4", sf.getValue("ID"));
+    assertEquals("Benign", sf.getValue("clinical_significance"));
+    assertEquals(1, sf.links.size());
+    assertEquals(
+            "K->N var4|http://www.ensembl.org/Homo_sapiens/Variation/Summary?v=var4",
+            sf.links.get(0));
+    sf = sfs[3];
+    assertEquals(3, sf.getBegin());
+    assertEquals(3, sf.getEnd());
+    assertEquals("P->H", sf.getDescription());
+    assertEquals("var6", sf.getValue("ID"));
+    assertEquals("Good", sf.getValue("clinical_significance"));
+    assertEquals(1, sf.links.size());
+    assertEquals(
+            "P->H var6|http://www.ensembl.org/Homo_sapiens/Variation/Summary?v=var6",
+            sf.links.get(0));
+    // var5 generates two distinct protein variant features
+    sf = sfs[4];
+    assertEquals(3, sf.getBegin());
+    assertEquals(3, sf.getEnd());
+    assertEquals("P->R", sf.getDescription());
+    assertEquals("var6", sf.getValue("ID"));
+    assertEquals("Good", sf.getValue("clinical_significance"));
+    assertEquals(1, sf.links.size());
+    assertEquals(
+            "P->R var6|http://www.ensembl.org/Homo_sapiens/Variation/Summary?v=var6",
+            sf.links.get(0));
   }
 
   /**