/* * 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.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 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", RnaSSTestFile = "examples/rna_ss_test.stk"; @Test(groups = { "Functional" }) public void pfamFileIO() throws Exception { testFileIOwithFormat(new File(PfamFile), FileFormat.Stockholm, -1, 0, false, false, false); } @Test(groups = { "Functional" }) public void pfamFileDataExtraction() throws Exception { AppletFormatAdapter af = new AppletFormatAdapter(); AlignmentI al = af.readFile(PfamFile, DataSourceType.FILE, new IdentifyFile().identify(PfamFile, DataSourceType.FILE)); int numpdb = 0; for (SequenceI sq : al.getSequences()) { if (sq.getAllPDBEntries() != null) { numpdb += sq.getAllPDBEntries().size(); } } assertTrue( "PF00111 seed alignment has at least 1 PDB file, but the reader found none.", numpdb > 0); } @Test(groups = { "Functional" }) public void rfamFileIO() throws Exception { 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 dbrefs = DBRefUtils.searchRefs(importedSeq.getDBRefs(), "P00224"); assertTrue(dbrefs.size() == 1, "Couldn't find Uniprot DBRef on re-imported sequence."); } /** * test alignment data in given file can be imported, exported and reimported * with no dataloss * * @param f * - 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 * @param ignoreFeatures * @param ignoreRowVisibility * @param allowNullAnnotations */ public static void testFileIOwithFormat(File f, FileFormatI ioformat, int naliannot, int nminseqann, boolean ignoreFeatures, boolean ignoreRowVisibility, boolean allowNullAnnotations) { System.out.println("Reading file: " + f); String ff = f.getPath(); try { AppletFormatAdapter rf = new AppletFormatAdapter(); AlignmentI al = rf.readFile(ff, DataSourceType.FILE, new IdentifyFile().identify(ff, DataSourceType.FILE)); assertNotNull("Couldn't read supplied alignment data.", al); // make sure dataset is initialised ? not sure about this for (int i = 0; i < al.getSequencesArray().length; ++i) { al.getSequenceAt(i).createDatasetSequence(); } String outputfile = rf.formatSequences(ioformat, al, true); System.out.println("Output file in '" + ioformat + "':\n" + outputfile + "\n< -1) { assertEquals("Number of alignment annotations", naliannot, numaliannot); } assertTrue( "Number of sequence associated annotations wasn't at least " + nminseqann, numsqswithali >= nminseqann); } catch (Exception e) { e.printStackTrace(); assertTrue("Couln't format the alignment for output file.", false); } } /** * assert alignment equivalence * * @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 */ 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(), 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 orig_groups = new HashMap<>(); Map new_groups = new HashMap<>(); if (aa_new != null && aa_original != null) { for (int i = 0; i < aa_original.length; i++) { if (aa_new.length > 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); 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 = 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) { orig_groups.put(o_ggrp, orig_g = new BitSet()); } if (new_g == null) { new_groups.put(n_ggrp, new_g = new BitSet()); } assertEquals("Graph Group pattern differs at annotation " + i, orig_g, new_g); orig_g.set(i); new_g.set(i); } else { System.err.println("No matching annotation row for " + aa_original[i].toString()); } } } assertEquals( "Generated and imported alignment have different annotation sets", aa_original_size, aa_new_size); // 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]; seq_new = al_input.getSequencesArray(); List sequenceFeatures_original; List sequenceFeatures_new; AlignmentAnnotation annot_original, annot_new; // for (int i = 0; i < al.getSequencesArray().length; i++) { 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); // search equal sequence for (int in = 0; in < al_input.getSequencesArray().length; in++) { if (name.equals(seq_new[in].getName()) && start == seq_new[in].getStart() && end == seq_new[in].getEnd()) { String ss_original = seq_original[i].getSequenceAsString(); String ss_new = seq_new[in].getSequenceAsString(); assertEquals("The sequences " + name + "/" + start + "-" + end + " are not equal", ss_original, ss_new); assertTrue( "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)); // compare sequence features if (seq_original[i].getSequenceFeatures() != null && seq_new[in].getSequenceFeatures() != null) { System.out.println("There are feature!!!"); sequenceFeatures_original = seq_original[i] .getSequenceFeatures(); sequenceFeatures_new = seq_new[in].getSequenceFeatures(); 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++) { assertEquals("Different features", 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++) { 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]; assertEqualSecondaryStructure( "Different annotation elements", annot_original, annot_new, allowNullAnnotation); } } } else if (al.getSequenceAt(i).getAnnotation() == null && al_input.getSequenceAt(in).getAnnotation() == null) { System.out.println("No annotations"); } else if (al.getSequenceAt(i).getAnnotation() != null && al_input.getSequenceAt(in).getAnnotation() == null) { fail("Annotations differed between sequences (" + al.getSequenceAt(i).getName() + ") and (" + al_input.getSequenceAt(i).getName() + ")"); } break; } } } } /** * 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 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) { fail("Different lengths for annotation row elements: " + annot_or.annotations.length + "!=" + annot_new.annotations.length); } 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]; if (an_or != null && an_new != null) { if (isRna) { 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 && annot_new.annotations[i] == null) { continue; } else { 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 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); } } } // 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 ' 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 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 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 ' 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); } }