/* * Jalview - A Sequence Alignment Editor and Viewer ($$Version-Rel$$) * Copyright (C) $$Year-Rel$$ The Jalview Authors * * This file is part of Jalview. * * Jalview is free software: you can redistribute it and/or * modify it under the terms of the GNU General Public License * as published by the Free Software Foundation, either version 3 * of the License, or (at your option) any later version. * * Jalview is distributed in the hope that it will be useful, but * WITHOUT ANY WARRANTY; without even the implied warranty * of MERCHANTABILITY or FITNESS FOR A PARTICULAR * PURPOSE. See the GNU General Public License for more details. * * You should have received a copy of the GNU General Public License * along with Jalview. If not, see . * The Jalview Authors are detailed in the 'AUTHORS' file. */ package jalview.datamodel; import static org.testng.AssertJUnit.assertEquals; import static org.testng.AssertJUnit.assertFalse; import static org.testng.AssertJUnit.assertNotNull; import static org.testng.AssertJUnit.assertNull; import static org.testng.AssertJUnit.assertSame; import static org.testng.AssertJUnit.assertTrue; import static org.testng.internal.junit.ArrayAsserts.assertArrayEquals; import jalview.datamodel.PDBEntry.Type; import jalview.util.MapList; import java.io.File; import java.util.ArrayList; import java.util.Arrays; import java.util.List; import java.util.Vector; import org.testng.Assert; import org.testng.annotations.BeforeMethod; import org.testng.annotations.Test; public class SequenceTest { Sequence seq; @BeforeMethod(alwaysRun = true) public void setUp() { seq = new Sequence("FER1", "AKPNGVL"); } @Test(groups = { "Functional" }) public void testInsertGapsAndGapmaps() { SequenceI aseq = seq.deriveSequence(); aseq.insertCharAt(2, 3, '-'); aseq.insertCharAt(6, 3, '-'); assertEquals("Gap insertions not correct", "AK---P---NGVL", aseq.getSequenceAsString()); List gapInt = aseq.getInsertions(); assertEquals("Gap interval 1 start wrong", 2, gapInt.get(0)[0]); assertEquals("Gap interval 1 end wrong", 4, gapInt.get(0)[1]); assertEquals("Gap interval 2 start wrong", 6, gapInt.get(1)[0]); assertEquals("Gap interval 2 end wrong", 8, gapInt.get(1)[1]); } @Test(groups = ("Functional")) public void testIsProtein() { // test Protein assertTrue(new Sequence("prot", "ASDFASDFASDF").isProtein()); // test DNA assertFalse(new Sequence("prot", "ACGTACGTACGT").isProtein()); // test RNA SequenceI sq = new Sequence("prot", "ACGUACGUACGU"); assertFalse(sq.isProtein()); // change sequence, should trigger an update of cached result sq.setSequence("ASDFASDFADSF"); assertTrue(sq.isProtein()); /* * in situ change of sequence doesn't change hashcode :-O * (sequence should not expose internal implementation) */ for (int i = 0; i < sq.getSequence().length; i++) { sq.getSequence()[i] = "acgtu".charAt(i % 5); } assertTrue(sq.isProtein()); // but it isn't } @Test(groups = { "Functional" }) public void testGetAnnotation() { // initial state returns null not an empty array assertNull(seq.getAnnotation()); AlignmentAnnotation ann = addAnnotation("label1", "desc1", "calcId1", 1f); AlignmentAnnotation[] anns = seq.getAnnotation(); assertEquals(1, anns.length); assertSame(ann, anns[0]); // removing all annotations reverts array to null seq.removeAlignmentAnnotation(ann); assertNull(seq.getAnnotation()); } @Test(groups = { "Functional" }) public void testGetAnnotation_forLabel() { AlignmentAnnotation ann1 = addAnnotation("label1", "desc1", "calcId1", 1f); addAnnotation("label2", "desc2", "calcId2", 1f); AlignmentAnnotation ann3 = addAnnotation("label1", "desc3", "calcId3", 1f); AlignmentAnnotation[] anns = seq.getAnnotation("label1"); assertEquals(2, anns.length); assertSame(ann1, anns[0]); assertSame(ann3, anns[1]); } private AlignmentAnnotation addAnnotation(String label, String description, String calcId, float value) { final AlignmentAnnotation annotation = new AlignmentAnnotation(label, description, value); annotation.setCalcId(calcId); seq.addAlignmentAnnotation(annotation); return annotation; } @Test(groups = { "Functional" }) public void testGetAlignmentAnnotations_forCalcIdAndLabel() { addAnnotation("label1", "desc1", "calcId1", 1f); AlignmentAnnotation ann2 = addAnnotation("label2", "desc2", "calcId2", 1f); addAnnotation("label2", "desc3", "calcId3", 1f); AlignmentAnnotation ann4 = addAnnotation("label2", "desc3", "calcId2", 1f); addAnnotation("label5", "desc3", null, 1f); addAnnotation(null, "desc3", "calcId3", 1f); List anns = seq.getAlignmentAnnotations("calcId2", "label2"); assertEquals(2, anns.size()); assertSame(ann2, anns.get(0)); assertSame(ann4, anns.get(1)); assertTrue(seq.getAlignmentAnnotations("calcId2", "label3").isEmpty()); assertTrue(seq.getAlignmentAnnotations("calcId3", "label5").isEmpty()); assertTrue(seq.getAlignmentAnnotations("calcId2", null).isEmpty()); assertTrue(seq.getAlignmentAnnotations(null, "label3").isEmpty()); assertTrue(seq.getAlignmentAnnotations(null, null).isEmpty()); } /** * Tests for addAlignmentAnnotation. Note this method has the side-effect of * setting the sequenceRef on the annotation. Adding the same annotation twice * should be ignored. */ @Test(groups = { "Functional" }) public void testAddAlignmentAnnotation() { assertNull(seq.getAnnotation()); final AlignmentAnnotation annotation = new AlignmentAnnotation("a", "b", 2d); assertNull(annotation.sequenceRef); seq.addAlignmentAnnotation(annotation); assertSame(seq, annotation.sequenceRef); AlignmentAnnotation[] anns = seq.getAnnotation(); assertEquals(1, anns.length); assertSame(annotation, anns[0]); // re-adding does nothing seq.addAlignmentAnnotation(annotation); anns = seq.getAnnotation(); assertEquals(1, anns.length); assertSame(annotation, anns[0]); // an identical but different annotation can be added final AlignmentAnnotation annotation2 = new AlignmentAnnotation("a", "b", 2d); seq.addAlignmentAnnotation(annotation2); anns = seq.getAnnotation(); assertEquals(2, anns.length); assertSame(annotation, anns[0]); assertSame(annotation2, anns[1]); } @Test(groups = { "Functional" }) public void testGetStartGetEnd() { SequenceI sq = new Sequence("test", "ABCDEF"); assertEquals(1, sq.getStart()); assertEquals(6, sq.getEnd()); sq = new Sequence("test", "--AB-C-DEF--"); assertEquals(1, sq.getStart()); assertEquals(6, sq.getEnd()); sq = new Sequence("test", "----"); assertEquals(1, sq.getStart()); assertEquals(0, sq.getEnd()); // ?? } /** * Tests for the method that returns an alignment column position (base 1) for * a given sequence position (base 1). */ @Test(groups = { "Functional" }) public void testFindIndex() { SequenceI sq = new Sequence("test", "ABCDEF"); assertEquals(0, sq.findIndex(0)); assertEquals(1, sq.findIndex(1)); assertEquals(5, sq.findIndex(5)); assertEquals(6, sq.findIndex(6)); assertEquals(6, sq.findIndex(9)); sq = new Sequence("test", "-A--B-C-D-E-F--"); assertEquals(2, sq.findIndex(1)); assertEquals(5, sq.findIndex(2)); assertEquals(7, sq.findIndex(3)); // before start returns 0 assertEquals(0, sq.findIndex(0)); assertEquals(0, sq.findIndex(-1)); // beyond end returns last residue column assertEquals(13, sq.findIndex(99)); } /** * Tests for the method that returns a dataset sequence position (base 1) for * an aligned column position (base 0). */ @Test(groups = { "Functional" }) public void testFindPosition() { SequenceI sq = new Sequence("test", "ABCDEF"); assertEquals(1, sq.findPosition(0)); assertEquals(6, sq.findPosition(5)); // assertEquals(-1, seq.findPosition(6)); // fails sq = new Sequence("test", "AB-C-D--"); assertEquals(1, sq.findPosition(0)); assertEquals(2, sq.findPosition(1)); // gap position 'finds' residue to the right (not the left as per javadoc) assertEquals(3, sq.findPosition(2)); assertEquals(3, sq.findPosition(3)); assertEquals(4, sq.findPosition(4)); assertEquals(4, sq.findPosition(5)); // returns 1 more than sequence length if off the end ?!? assertEquals(5, sq.findPosition(6)); assertEquals(5, sq.findPosition(7)); sq = new Sequence("test", "--AB-C-DEF--"); assertEquals(1, sq.findPosition(0)); assertEquals(1, sq.findPosition(1)); assertEquals(1, sq.findPosition(2)); assertEquals(2, sq.findPosition(3)); assertEquals(3, sq.findPosition(4)); assertEquals(3, sq.findPosition(5)); assertEquals(4, sq.findPosition(6)); assertEquals(4, sq.findPosition(7)); assertEquals(5, sq.findPosition(8)); assertEquals(6, sq.findPosition(9)); assertEquals(7, sq.findPosition(10)); assertEquals(7, sq.findPosition(11)); } @Test(groups = { "Functional" }) public void testDeleteChars() { SequenceI sq = new Sequence("test", "ABCDEF"); assertEquals(1, sq.getStart()); assertEquals(6, sq.getEnd()); sq.deleteChars(2, 3); assertEquals("ABDEF", sq.getSequenceAsString()); assertEquals(1, sq.getStart()); assertEquals(5, sq.getEnd()); sq = new Sequence("test", "ABCDEF"); sq.deleteChars(0, 2); assertEquals("CDEF", sq.getSequenceAsString()); assertEquals(3, sq.getStart()); assertEquals(6, sq.getEnd()); } @Test(groups = { "Functional" }) public void testInsertCharAt() { // non-static methods: SequenceI sq = new Sequence("test", "ABCDEF"); sq.insertCharAt(0, 'z'); assertEquals("zABCDEF", sq.getSequenceAsString()); sq.insertCharAt(2, 2, 'x'); assertEquals("zAxxBCDEF", sq.getSequenceAsString()); // for static method see StringUtilsTest } /** * Test the method that returns an array of aligned sequence positions where * the array index is the data sequence position (both base 0). */ @Test(groups = { "Functional" }) public void testGapMap() { SequenceI sq = new Sequence("test", "-A--B-CD-E--F-"); sq.createDatasetSequence(); assertEquals("[1, 4, 6, 7, 9, 12]", Arrays.toString(sq.gapMap())); } /** * Test the method that gets sequence features, either from the sequence or * its dataset. */ @Test(groups = { "Functional" }) public void testGetSequenceFeatures() { SequenceI sq = new Sequence("test", "GATCAT"); sq.createDatasetSequence(); assertNull(sq.getSequenceFeatures()); /* * SequenceFeature on sequence */ SequenceFeature sf = new SequenceFeature(); sq.addSequenceFeature(sf); SequenceFeature[] sfs = sq.getSequenceFeatures(); assertEquals(1, sfs.length); assertSame(sf, sfs[0]); /* * SequenceFeature on sequence and dataset sequence; returns that on * sequence * * Note JAL-2046: spurious: we have no use case for this at the moment. * This test also buggy - as sf2.equals(sf), no new feature is added */ SequenceFeature sf2 = new SequenceFeature(); sq.getDatasetSequence().addSequenceFeature(sf2); sfs = sq.getSequenceFeatures(); assertEquals(1, sfs.length); assertSame(sf, sfs[0]); /* * SequenceFeature on dataset sequence only * Note JAL-2046: spurious: we have no use case for setting a non-dataset sequence's feature array to null at the moment. */ sq.setSequenceFeatures(null); assertNull(sq.getDatasetSequence().getSequenceFeatures()); /* * Corrupt case - no SequenceFeature, dataset's dataset is the original * sequence. Test shows no infinite loop results. */ sq.getDatasetSequence().setSequenceFeatures(null); /** * is there a usecase for this ? setDatasetSequence should throw an error if * this actually occurs. */ try { sq.getDatasetSequence().setDatasetSequence(sq); // loop! Assert.fail("Expected Error to be raised when calling setDatasetSequence with self reference"); } catch (IllegalArgumentException e) { // TODO Jalview error/exception class for raising implementation errors assertTrue(e.getMessage().toLowerCase() .contains("implementation error")); } assertNull(sq.getSequenceFeatures()); } /** * Test the method that returns an array, indexed by sequence position, whose * entries are the residue positions at the sequence position (or to the right * if a gap) */ @Test(groups = { "Functional" }) public void testFindPositionMap() { /* * Note: Javadoc for findPosition says it returns the residue position to * the left of a gapped position; in fact it returns the position to the * right. Also it returns a non-existent residue position for a gap beyond * the sequence. */ Sequence sq = new Sequence("TestSeq", "AB.C-D E."); int[] map = sq.findPositionMap(); assertEquals(Arrays.toString(new int[] { 1, 2, 3, 3, 4, 4, 5, 5, 6 }), Arrays.toString(map)); } /** * Test for getSubsequence */ @Test(groups = { "Functional" }) public void testGetSubsequence() { SequenceI sq = new Sequence("TestSeq", "ABCDEFG"); sq.createDatasetSequence(); // positions are base 0, end position is exclusive SequenceI subseq = sq.getSubSequence(2, 4); assertEquals("CD", subseq.getSequenceAsString()); // start/end are base 1 positions assertEquals(3, subseq.getStart()); assertEquals(4, subseq.getEnd()); // subsequence shares the full dataset sequence assertSame(sq.getDatasetSequence(), subseq.getDatasetSequence()); } /** * test createDatasetSequence behaves to doc */ @Test(groups = { "Functional" }) public void testCreateDatasetSequence() { SequenceI sq = new Sequence("my", "ASDASD"); assertNull(sq.getDatasetSequence()); SequenceI rds = sq.createDatasetSequence(); assertNotNull(rds); assertNull(rds.getDatasetSequence()); assertEquals(sq.getDatasetSequence(), rds); } /** * Test for deriveSequence applied to a sequence with a dataset */ @Test(groups = { "Functional" }) public void testDeriveSequence_existingDataset() { Sequence sq = new Sequence("Seq1", "CD"); sq.setDatasetSequence(new Sequence("Seq1", "ABCDEF")); sq.getDatasetSequence().addSequenceFeature( new SequenceFeature("", "", 1, 2, 0f, null)); sq.setStart(3); sq.setEnd(4); sq.setDescription("Test sequence description.."); sq.setVamsasId("TestVamsasId"); sq.addDBRef(new DBRefEntry("PDB", "version0", "1TST")); sq.addDBRef(new DBRefEntry("PDB", "version1", "1PDB")); sq.addDBRef(new DBRefEntry("PDB", "version2", "2PDB")); sq.addDBRef(new DBRefEntry("PDB", "version3", "3PDB")); sq.addDBRef(new DBRefEntry("PDB", "version4", "4PDB")); sq.addPDBId(new PDBEntry("1PDB", "A", Type.PDB, "filePath/test1")); sq.addPDBId(new PDBEntry("1PDB", "B", Type.PDB, "filePath/test1")); sq.addPDBId(new PDBEntry("2PDB", "A", Type.MMCIF, "filePath/test2")); sq.addPDBId(new PDBEntry("2PDB", "B", Type.MMCIF, "filePath/test2")); // these are the same as ones already added DBRefEntry pdb1pdb = new DBRefEntry("PDB", "version1", "1PDB"); DBRefEntry pdb2pdb = new DBRefEntry("PDB", "version2", "2PDB"); List primRefs = Arrays.asList(new DBRefEntry[] { pdb1pdb, pdb2pdb }); sq.getDatasetSequence().addDBRef(pdb1pdb); // should do nothing sq.getDatasetSequence().addDBRef(pdb2pdb); // should do nothing sq.getDatasetSequence().addDBRef( new DBRefEntry("PDB", "version3", "3PDB")); // should do nothing sq.getDatasetSequence().addDBRef( new DBRefEntry("PDB", "version4", "4PDB")); // should do nothing PDBEntry pdbe1a = new PDBEntry("1PDB", "A", Type.PDB, "filePath/test1"); PDBEntry pdbe1b = new PDBEntry("1PDB", "B", Type.PDB, "filePath/test1"); PDBEntry pdbe2a = new PDBEntry("2PDB", "A", Type.MMCIF, "filePath/test2"); PDBEntry pdbe2b = new PDBEntry("2PDB", "B", Type.MMCIF, "filePath/test2"); sq.getDatasetSequence().addPDBId(pdbe1a); sq.getDatasetSequence().addPDBId(pdbe1b); sq.getDatasetSequence().addPDBId(pdbe2a); sq.getDatasetSequence().addPDBId(pdbe2b); /* * test we added pdb entries to the dataset sequence */ Assert.assertEquals(sq.getDatasetSequence().getAllPDBEntries(), Arrays .asList(new PDBEntry[] { pdbe1a, pdbe1b, pdbe2a, pdbe2b }), "PDB Entries were not found on dataset sequence."); /* * we should recover a pdb entry that is on the dataset sequence via PDBEntry */ Assert.assertEquals(pdbe1a, sq.getDatasetSequence().getPDBEntry("1PDB"), "PDB Entry '1PDB' not found on dataset sequence via getPDBEntry."); ArrayList annotsList = new ArrayList(); System.out.println(">>>>>> " + sq.getSequenceAsString().length()); annotsList.add(new Annotation("A", "A", 'X', 0.1f)); annotsList.add(new Annotation("A", "A", 'X', 0.1f)); Annotation[] annots = annotsList.toArray(new Annotation[0]); sq.addAlignmentAnnotation(new AlignmentAnnotation("Test annot", "Test annot description", annots)); sq.getDatasetSequence().addAlignmentAnnotation( new AlignmentAnnotation("Test annot", "Test annot description", annots)); Assert.assertEquals(sq.getDescription(), "Test sequence description.."); Assert.assertEquals(sq.getDBRefs().length, 5); // DBRefs are on dataset // sequence Assert.assertEquals(sq.getAllPDBEntries().size(), 4); Assert.assertNotNull(sq.getAnnotation()); Assert.assertEquals(sq.getAnnotation()[0].annotations.length, 2); Assert.assertEquals(sq.getDatasetSequence().getDBRefs().length, 5); // same // as // sq.getDBRefs() Assert.assertEquals(sq.getDatasetSequence().getAllPDBEntries().size(), 4); Assert.assertNotNull(sq.getDatasetSequence().getAnnotation()); Sequence derived = (Sequence) sq.deriveSequence(); Assert.assertEquals(derived.getDescription(), "Test sequence description.."); Assert.assertEquals(derived.getDBRefs().length, 5); // come from dataset Assert.assertEquals(derived.getAllPDBEntries().size(), 4); Assert.assertNotNull(derived.getAnnotation()); Assert.assertEquals(derived.getAnnotation()[0].annotations.length, 2); Assert.assertEquals(derived.getDatasetSequence().getDBRefs().length, 5); Assert.assertEquals(derived.getDatasetSequence().getAllPDBEntries() .size(), 4); Assert.assertNotNull(derived.getDatasetSequence().getAnnotation()); assertEquals("CD", derived.getSequenceAsString()); assertSame(sq.getDatasetSequence(), derived.getDatasetSequence()); assertNull(sq.sequenceFeatures); assertNull(derived.sequenceFeatures); // derived sequence should access dataset sequence features assertNotNull(sq.getSequenceFeatures()); assertArrayEquals(sq.getSequenceFeatures(), derived.getSequenceFeatures()); /* * verify we have primary db refs *just* for PDB IDs with associated * PDBEntry objects */ assertEquals(primRefs, sq.getPrimaryDBRefs()); assertEquals(primRefs, sq.getDatasetSequence().getPrimaryDBRefs()); assertEquals(sq.getPrimaryDBRefs(), derived.getPrimaryDBRefs()); } /** * Test for deriveSequence applied to an ungapped sequence with no dataset */ @Test(groups = { "Functional" }) public void testDeriveSequence_noDatasetUngapped() { SequenceI sq = new Sequence("Seq1", "ABCDEF"); assertEquals(1, sq.getStart()); assertEquals(6, sq.getEnd()); SequenceI derived = sq.deriveSequence(); assertEquals("ABCDEF", derived.getSequenceAsString()); assertEquals("ABCDEF", derived.getDatasetSequence() .getSequenceAsString()); } /** * Test for deriveSequence applied to a gapped sequence with no dataset */ @Test(groups = { "Functional" }) public void testDeriveSequence_noDatasetGapped() { SequenceI sq = new Sequence("Seq1", "AB-C.D EF"); assertEquals(1, sq.getStart()); assertEquals(6, sq.getEnd()); assertNull(sq.getDatasetSequence()); SequenceI derived = sq.deriveSequence(); assertEquals("AB-C.D EF", derived.getSequenceAsString()); assertEquals("ABCDEF", derived.getDatasetSequence() .getSequenceAsString()); } @Test(groups = { "Functional" }) public void testCopyConstructor_noDataset() { SequenceI seq1 = new Sequence("Seq1", "AB-C.D EF"); seq1.setDescription("description"); seq1.addAlignmentAnnotation(new AlignmentAnnotation("label", "desc", 1.3d)); seq1.addSequenceFeature(new SequenceFeature("type", "desc", 22, 33, 12.4f, "group")); seq1.addPDBId(new PDBEntry("1A70", "B", Type.PDB, "File")); seq1.addDBRef(new DBRefEntry("EMBL", "1.2", "AZ12345")); SequenceI copy = new Sequence(seq1); assertNull(copy.getDatasetSequence()); verifyCopiedSequence(seq1, copy); // copy has a copy of the DBRefEntry // this is murky - DBrefs are only copied for dataset sequences // where the test for 'dataset sequence' is 'dataset is null' // but that doesn't distinguish it from an aligned sequence // which has not yet generated a dataset sequence // NB getDBRef looks inside dataset sequence if not null DBRefEntry[] dbrefs = copy.getDBRefs(); assertEquals(1, dbrefs.length); assertFalse(dbrefs[0] == seq1.getDBRefs()[0]); assertTrue(dbrefs[0].equals(seq1.getDBRefs()[0])); } @Test(groups = { "Functional" }) public void testCopyConstructor_withDataset() { SequenceI seq1 = new Sequence("Seq1", "AB-C.D EF"); seq1.createDatasetSequence(); seq1.setDescription("description"); seq1.addAlignmentAnnotation(new AlignmentAnnotation("label", "desc", 1.3d)); // JAL-2046 - what is the contract for using a derived sequence's // addSequenceFeature ? seq1.addSequenceFeature(new SequenceFeature("type", "desc", 22, 33, 12.4f, "group")); seq1.addPDBId(new PDBEntry("1A70", "B", Type.PDB, "File")); // here we add DBRef to the dataset sequence: seq1.getDatasetSequence().addDBRef( new DBRefEntry("EMBL", "1.2", "AZ12345")); SequenceI copy = new Sequence(seq1); assertNotNull(copy.getDatasetSequence()); assertSame(copy.getDatasetSequence(), seq1.getDatasetSequence()); verifyCopiedSequence(seq1, copy); // getDBRef looks inside dataset sequence and this is shared, // so holds the same dbref objects DBRefEntry[] dbrefs = copy.getDBRefs(); assertEquals(1, dbrefs.length); assertSame(dbrefs[0], seq1.getDBRefs()[0]); } /** * Helper to make assertions about a copied sequence * * @param seq1 * @param copy */ protected void verifyCopiedSequence(SequenceI seq1, SequenceI copy) { // verify basic properties: assertEquals(copy.getName(), seq1.getName()); assertEquals(copy.getDescription(), seq1.getDescription()); assertEquals(copy.getStart(), seq1.getStart()); assertEquals(copy.getEnd(), seq1.getEnd()); assertEquals(copy.getSequenceAsString(), seq1.getSequenceAsString()); // copy has a copy of the annotation: AlignmentAnnotation[] anns = copy.getAnnotation(); assertEquals(1, anns.length); assertFalse(anns[0] == seq1.getAnnotation()[0]); assertEquals(anns[0].label, seq1.getAnnotation()[0].label); assertEquals(anns[0].description, seq1.getAnnotation()[0].description); assertEquals(anns[0].score, seq1.getAnnotation()[0].score); // copy has a copy of the sequence feature: SequenceFeature[] sfs = copy.getSequenceFeatures(); assertEquals(1, sfs.length); if (seq1.getDatasetSequence() != null && copy.getDatasetSequence() == seq1.getDatasetSequence()) { assertTrue(sfs[0] == seq1.getSequenceFeatures()[0]); } else { assertFalse(sfs[0] == seq1.getSequenceFeatures()[0]); } assertTrue(sfs[0].equals(seq1.getSequenceFeatures()[0])); // copy has a copy of the PDB entry Vector pdbs = copy.getAllPDBEntries(); assertEquals(1, pdbs.size()); assertFalse(pdbs.get(0) == seq1.getAllPDBEntries().get(0)); assertTrue(pdbs.get(0).equals(seq1.getAllPDBEntries().get(0))); } @Test(groups = "Functional") public void testGetCharAt() { SequenceI sq = new Sequence("", "abcde"); assertEquals('a', sq.getCharAt(0)); assertEquals('e', sq.getCharAt(4)); assertEquals(' ', sq.getCharAt(5)); assertEquals(' ', sq.getCharAt(-1)); } /** * Tests for adding (or updating) dbrefs * * @see DBRefEntry#updateFrom(DBRefEntry) */ @Test(groups = { "Functional" }) public void testAddDBRef() { SequenceI sq = new Sequence("", "abcde"); assertNull(sq.getDBRefs()); DBRefEntry dbref = new DBRefEntry("Uniprot", "1", "P00340"); sq.addDBRef(dbref); assertEquals(1, sq.getDBRefs().length); assertSame(dbref, sq.getDBRefs()[0]); /* * change of version - new entry */ DBRefEntry dbref2 = new DBRefEntry("Uniprot", "2", "P00340"); sq.addDBRef(dbref2); assertEquals(2, sq.getDBRefs().length); assertSame(dbref, sq.getDBRefs()[0]); assertSame(dbref2, sq.getDBRefs()[1]); /* * matches existing entry - not added */ sq.addDBRef(new DBRefEntry("UNIPROT", "1", "p00340")); assertEquals(2, sq.getDBRefs().length); /* * different source = new entry */ DBRefEntry dbref3 = new DBRefEntry("UniRef", "1", "p00340"); sq.addDBRef(dbref3); assertEquals(3, sq.getDBRefs().length); assertSame(dbref3, sq.getDBRefs()[2]); /* * different ref = new entry */ DBRefEntry dbref4 = new DBRefEntry("UniRef", "1", "p00341"); sq.addDBRef(dbref4); assertEquals(4, sq.getDBRefs().length); assertSame(dbref4, sq.getDBRefs()[3]); /* * matching ref with a mapping - map updated */ DBRefEntry dbref5 = new DBRefEntry("UniRef", "1", "p00341"); Mapping map = new Mapping(new MapList(new int[] { 1, 3 }, new int[] { 1, 1 }, 3, 1)); dbref5.setMap(map); sq.addDBRef(dbref5); assertEquals(4, sq.getDBRefs().length); assertSame(dbref4, sq.getDBRefs()[3]); assertSame(map, dbref4.getMap()); /* * 'real' version replaces "0" version */ dbref2.setVersion("0"); DBRefEntry dbref6 = new DBRefEntry(dbref2.getSource(), "3", dbref2.getAccessionId()); sq.addDBRef(dbref6); assertEquals(4, sq.getDBRefs().length); assertSame(dbref2, sq.getDBRefs()[1]); assertEquals("3", dbref2.getVersion()); /* * 'real' version replaces "source:0" version */ dbref3.setVersion("Uniprot:0"); DBRefEntry dbref7 = new DBRefEntry(dbref3.getSource(), "3", dbref3.getAccessionId()); sq.addDBRef(dbref7); assertEquals(4, sq.getDBRefs().length); assertSame(dbref3, sq.getDBRefs()[2]); assertEquals("3", dbref2.getVersion()); } @Test(groups = { "Functional" }) public void testGetPrimaryDBRefs_peptide() { SequenceI sq = new Sequence("aseq", "ASDFKYLMQPRST", 10, 22); // no dbrefs List primaryDBRefs = sq.getPrimaryDBRefs(); assertTrue(primaryDBRefs.isEmpty()); // empty dbrefs sq.setDBRefs(new DBRefEntry[] {}); primaryDBRefs = sq.getPrimaryDBRefs(); assertTrue(primaryDBRefs.isEmpty()); // primary - uniprot DBRefEntry upentry1 = new DBRefEntry("UNIPROT", "0", "Q04760"); sq.addDBRef(upentry1); // primary - uniprot with congruent map DBRefEntry upentry2 = new DBRefEntry("UNIPROT", "0", "Q04762"); upentry2.setMap(new Mapping(null, new MapList(new int[] { 10, 22 }, new int[] { 10, 22 }, 1, 1))); sq.addDBRef(upentry2); // primary - uniprot with map of enclosing sequence DBRefEntry upentry3 = new DBRefEntry("UNIPROT", "0", "Q04763"); upentry3.setMap(new Mapping(null, new MapList(new int[] { 8, 24 }, new int[] { 8, 24 }, 1, 1))); sq.addDBRef(upentry3); // not primary - uniprot with map of sub-sequence (5') DBRefEntry upentry4 = new DBRefEntry("UNIPROT", "0", "Q04764"); upentry4.setMap(new Mapping(null, new MapList(new int[] { 10, 18 }, new int[] { 10, 18 }, 1, 1))); sq.addDBRef(upentry4); // not primary - uniprot with map that overlaps 3' DBRefEntry upentry5 = new DBRefEntry("UNIPROT", "0", "Q04765"); upentry5.setMap(new Mapping(null, new MapList(new int[] { 12, 22 }, new int[] { 12, 22 }, 1, 1))); sq.addDBRef(upentry5); // not primary - uniprot with map to different coordinates frame DBRefEntry upentry6 = new DBRefEntry("UNIPROT", "0", "Q04766"); upentry6.setMap(new Mapping(null, new MapList(new int[] { 12, 18 }, new int[] { 112, 118 }, 1, 1))); sq.addDBRef(upentry6); // not primary - dbref to 'non-core' database DBRefEntry upentry7 = new DBRefEntry("Pfam", "0", "PF00903"); sq.addDBRef(upentry7); // primary - type is PDB DBRefEntry pdbentry = new DBRefEntry("PDB", "0", "1qip"); sq.addDBRef(pdbentry); // not primary - PDBEntry has no file sq.addDBRef(new DBRefEntry("PDB", "0", "1AAA")); // not primary - no PDBEntry sq.addDBRef(new DBRefEntry("PDB", "0", "1DDD")); // add corroborating PDB entry for primary DBref - // needs to have a file as well as matching ID // note PDB ID is not treated as case sensitive sq.addPDBId(new PDBEntry("1QIP", null, Type.PDB, new File("/blah") .toString())); // not valid DBRef - no file.. sq.addPDBId(new PDBEntry("1AAA", null, null, null)); primaryDBRefs = sq.getPrimaryDBRefs(); assertEquals(4, primaryDBRefs.size()); assertTrue("Couldn't find simple primary reference (UNIPROT)", primaryDBRefs.contains(upentry1)); assertTrue("Couldn't find mapped primary reference (UNIPROT)", primaryDBRefs.contains(upentry2)); assertTrue("Couldn't find mapped context reference (UNIPROT)", primaryDBRefs.contains(upentry3)); assertTrue("Couldn't find expected PDB primary reference", primaryDBRefs.contains(pdbentry)); } @Test(groups = { "Functional" }) public void testGetPrimaryDBRefs_nucleotide() { SequenceI sq = new Sequence("aseq", "TGATCACTCGACTAGCATCAGCATA", 10, 34); // primary - Ensembl DBRefEntry dbr1 = new DBRefEntry("ENSEMBL", "0", "ENSG1234"); sq.addDBRef(dbr1); // not primary - Ensembl 'transcript' mapping of sub-sequence DBRefEntry dbr2 = new DBRefEntry("ENSEMBL", "0", "ENST1234"); dbr2.setMap(new Mapping(null, new MapList(new int[] { 15, 25 }, new int[] { 1, 11 }, 1, 1))); sq.addDBRef(dbr2); // primary - EMBL with congruent map DBRefEntry dbr3 = new DBRefEntry("EMBL", "0", "J1234"); dbr3.setMap(new Mapping(null, new MapList(new int[] { 10, 34 }, new int[] { 10, 34 }, 1, 1))); sq.addDBRef(dbr3); // not primary - to non-core database DBRefEntry dbr4 = new DBRefEntry("CCDS", "0", "J1234"); sq.addDBRef(dbr4); // not primary - to protein DBRefEntry dbr5 = new DBRefEntry("UNIPROT", "0", "Q87654"); sq.addDBRef(dbr5); List primaryDBRefs = sq.getPrimaryDBRefs(); assertEquals(2, primaryDBRefs.size()); assertTrue(primaryDBRefs.contains(dbr1)); assertTrue(primaryDBRefs.contains(dbr3)); } /** * Test the method that updates the list of PDBEntry from any new DBRefEntry * for PDB */ @Test(groups = { "Functional" }) public void testUpdatePDBIds() { PDBEntry pdbe1 = new PDBEntry("3A6S", null, null, null); seq.addPDBId(pdbe1); seq.addDBRef(new DBRefEntry("Ensembl", "8", "ENST1234")); seq.addDBRef(new DBRefEntry("PDB", "0", "1A70")); seq.addDBRef(new DBRefEntry("PDB", "0", "4BQGa")); seq.addDBRef(new DBRefEntry("PDB", "0", "3a6sB")); // 7 is not a valid chain code: seq.addDBRef(new DBRefEntry("PDB", "0", "2GIS7")); seq.updatePDBIds(); List pdbIds = seq.getAllPDBEntries(); assertEquals(4, pdbIds.size()); assertSame(pdbe1, pdbIds.get(0)); // chain code got added to 3A6S: assertEquals("B", pdbe1.getChainCode()); assertEquals("1A70", pdbIds.get(1).getId()); // 4BQGA is parsed into id + chain assertEquals("4BQG", pdbIds.get(2).getId()); assertEquals("a", pdbIds.get(2).getChainCode()); assertEquals("2GIS7", pdbIds.get(3).getId()); assertNull(pdbIds.get(3).getChainCode()); } /** * Test the method that either adds a pdbid or updates an existing one */ @Test(groups = { "Functional" }) public void testAddPDBId() { PDBEntry pdbe = new PDBEntry("3A6S", null, null, null); seq.addPDBId(pdbe); assertEquals(1, seq.getAllPDBEntries().size()); assertSame(pdbe, seq.getPDBEntry("3A6S")); assertSame(pdbe, seq.getPDBEntry("3a6s")); // case-insensitive // add the same entry seq.addPDBId(pdbe); assertEquals(1, seq.getAllPDBEntries().size()); assertSame(pdbe, seq.getPDBEntry("3A6S")); // add an identical entry seq.addPDBId(new PDBEntry("3A6S", null, null, null)); assertEquals(1, seq.getAllPDBEntries().size()); assertSame(pdbe, seq.getPDBEntry("3A6S")); // add a different entry PDBEntry pdbe2 = new PDBEntry("1A70", null, null, null); seq.addPDBId(pdbe2); assertEquals(2, seq.getAllPDBEntries().size()); assertSame(pdbe, seq.getAllPDBEntries().get(0)); assertSame(pdbe2, seq.getAllPDBEntries().get(1)); // update pdbe with chain code, file, type PDBEntry pdbe3 = new PDBEntry("3a6s", "A", Type.PDB, "filepath"); seq.addPDBId(pdbe3); assertEquals(2, seq.getAllPDBEntries().size()); assertSame(pdbe, seq.getAllPDBEntries().get(0)); // updated in situ assertEquals("3A6S", pdbe.getId()); // unchanged assertEquals("A", pdbe.getChainCode()); // updated assertEquals(Type.PDB.toString(), pdbe.getType()); // updated assertEquals("filepath", pdbe.getFile()); // updated assertSame(pdbe2, seq.getAllPDBEntries().get(1)); // add with a different file path PDBEntry pdbe4 = new PDBEntry("3a6s", "A", Type.PDB, "filepath2"); seq.addPDBId(pdbe4); assertEquals(3, seq.getAllPDBEntries().size()); assertSame(pdbe4, seq.getAllPDBEntries().get(2)); // add with a different chain code PDBEntry pdbe5 = new PDBEntry("3a6s", "B", Type.PDB, "filepath"); seq.addPDBId(pdbe5); assertEquals(4, seq.getAllPDBEntries().size()); assertSame(pdbe5, seq.getAllPDBEntries().get(3)); } @Test( groups = { "Functional" }, expectedExceptions = { IllegalArgumentException.class }) public void testSetDatasetSequence_toSelf() { seq.setDatasetSequence(seq); } @Test( groups = { "Functional" }, expectedExceptions = { IllegalArgumentException.class }) public void testSetDatasetSequence_cascading() { SequenceI seq2 = new Sequence("Seq2", "xyz"); seq2.createDatasetSequence(); seq.setDatasetSequence(seq2); } }