/* * 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.AssertJUnit.assertEquals; import static org.testng.AssertJUnit.assertNotNull; import static org.testng.AssertJUnit.assertTrue; import java.io.File; import java.util.List; import org.junit.Assert; import org.testng.annotations.AfterClass; import org.testng.annotations.BeforeClass; import org.testng.annotations.BeforeMethod; import org.testng.annotations.Test; import jalview.bin.Cache; import jalview.datamodel.AlignmentAnnotation; import jalview.datamodel.AlignmentI; import jalview.datamodel.PDBEntry; import jalview.datamodel.SequenceFeature; import jalview.datamodel.SequenceI; import jalview.datamodel.features.SequenceFeatures; import jalview.gui.AlignFrame; import jalview.gui.Desktop; import jalview.gui.JvOptionPane; import jalview.structure.StructureImportSettings; import jalview.structure.StructureImportSettings.StructureParser; public class AnnotatedPDBFileInputTest { @BeforeClass(alwaysRun = true) public void setUpJvOptionPane() { JvOptionPane.setInteractiveMode(false); JvOptionPane.setMockResponse(JvOptionPane.CANCEL_OPTION); } AlignmentI al; String pdbId; /** * Ensure 'process secondary structure from PDB and add annotations' are set * in preferences, and load PDB example file 1gaq * * @throws Exception */ @BeforeMethod(alwaysRun = true) public void setup() throws Exception { Cache.applicationProperties.setProperty("STRUCT_FROM_PDB", Boolean.TRUE.toString()); Cache.applicationProperties.setProperty("ADD_SS_ANN", Boolean.TRUE.toString()); FileLoader loader = new FileLoader(false); AlignFrame af = loader.LoadFileWaitTillLoaded("examples/1gaq.txt", DataSourceType.FILE); al = af.getViewport().getAlignment(); pdbId = al.getSequenceAt(0).getDatasetSequence().getAllPDBEntries() .get(0).getId(); StructureImportSettings.setDefaultStructureFileFormat("PDB"); // StructureImportSettings // .setDefaultPDBFileParser(StructureParser.JALVIEW_PARSER); } @Test(groups = { "Functional" }) public void checkNoDuplicates() { // not strictly a requirement, but strange things may happen if multiple // instances of the same annotation are placed in the alignment annotation // vector assertNotNull(al.getAlignmentAnnotation()); // verify that all sequence annotation is doubly referenced AlignmentAnnotation[] avec = al.getAlignmentAnnotation(); for (int p = 0; p < avec.length; p++) { for (int q = p + 1; q < avec.length; q++) { assertTrue("Found a duplicate annotation row " + avec[p].label, avec[p] != avec[q]); } } } @Test(groups = { "Functional" }, enabled = false) public void checkPDBannotationSource() { Assert.fail( "This test is incorrect - does not verify that JmolParser's annotation rows can be recognised as generated by the Jmol parser."); for (SequenceI asq : al.getSequences()) { for (AlignmentAnnotation aa : asq.getAnnotation()) { System.out.println("CalcId: " + aa.getCalcId()); if (StructureImportSettings.getDefaultPDBFileParser() .equals(StructureParser.JALVIEW_PARSER)) { assertTrue(mc_view.PDBfile.isCalcIdForFile(aa, pdbId)); } } } } /** * Check sequence features have been added */ @Test(groups = { "Functional" }) public void checkPDBSequenceFeatures() { /* * 1GAQ/A */ List sf = al.getSequenceAt(0).getSequenceFeatures(); SequenceFeatures.sortFeatures(sf, true); assertEquals(296, sf.size()); assertEquals("RESNUM", sf.get(0).getType()); assertEquals("GLU: 19 1gaqA", sf.get(0).getDescription()); assertEquals("RESNUM", sf.get(295).getType()); assertEquals("TYR: 314 1gaqA", sf.get(295).getDescription()); /* * 1GAQ/B */ sf = al.getSequenceAt(1).getSequenceFeatures(); SequenceFeatures.sortFeatures(sf, true); assertEquals(98, sf.size()); assertEquals("RESNUM", sf.get(0).getType()); assertEquals("ALA: 1 1gaqB", sf.get(0).getDescription()); assertEquals("RESNUM", sf.get(97).getType()); assertEquals("ALA: 98 1gaqB", sf.get(97).getDescription()); /* * 1GAQ/C */ sf = al.getSequenceAt(2).getSequenceFeatures(); SequenceFeatures.sortFeatures(sf, true); assertEquals(296, sf.size()); assertEquals("RESNUM", sf.get(0).getType()); assertEquals("GLU: 19 1gaqC", sf.get(0).getDescription()); assertEquals("RESNUM", sf.get(295).getType()); assertEquals("TYR: 314 1gaqC", sf.get(295).getDescription()); } @Test(groups = { "Functional" }) public void checkAnnotationWiring() { assertTrue(al.getAlignmentAnnotation() != null); // verify that all sequence annotation is doubly referenced for (AlignmentAnnotation aa : al.getAlignmentAnnotation()) { if (aa.sequenceRef != null) { assertTrue(al.getSequences().contains(aa.sequenceRef)); assertNotNull(aa.sequenceRef.getAnnotation()); boolean found = false; for (AlignmentAnnotation sqan : aa.sequenceRef.getAnnotation()) { if (sqan == aa) { found = true; break; } } assertTrue("Couldn't find sequence associated annotation " + aa.label + " on the sequence it is associated with.\nSequence associated editing will fail.", found); } } } /** * @throws java.lang.Exception */ @BeforeClass(alwaysRun = true) public static void setUpBeforeClass() throws Exception { jalview.bin.Jalview .main(new String[] { "-props", "test/jalview/io/testProps.jvprops" }); } /** * @throws java.lang.Exception */ @AfterClass(alwaysRun = true) public static void tearDownAfterClass() throws Exception { if (Desktop.instance != null) Desktop.instance.closeAll_actionPerformed(null); } @Test(groups = { "Functional" }) public void testJalviewProjectRelocationAnnotation() throws Exception { String inFile = "examples/1gaq.txt"; String tfile = File.createTempFile("JalviewTest", ".jvp") .getAbsolutePath(); AlignFrame af = new jalview.io.FileLoader() .LoadFileWaitTillLoaded(inFile, DataSourceType.FILE); assertTrue("Didn't read input file " + inFile, af != null); af.saveAlignment(tfile, FileFormat.Jalview); assertTrue("Failed to store as a project.", af.isSaveAlignmentSuccessful()); af.closeMenuItem_actionPerformed(true); af = null; af = new jalview.io.FileLoader().LoadFileWaitTillLoaded(tfile, DataSourceType.FILE); assertTrue("Failed to import new project", af != null); for (SequenceI asq : af.getViewport().getAlignment().getSequences()) { SequenceI sq = asq; while (sq.getDatasetSequence() != null) { sq = sq.getDatasetSequence(); } assertNotNull(sq.getAllPDBEntries()); assertEquals("Expected only one PDB ID", 1, sq.getAllPDBEntries().size()); for (PDBEntry pdbentry : sq.getAllPDBEntries()) { System.err.println( "PDB Entry " + pdbentry.getId() + " " + pdbentry.getFile()); boolean exists = false, found = false; for (AlignmentAnnotation ana : sq.getAnnotation()) { System.err.println("CalcId " + ana.getCalcId()); if (ana.getCalcId() != null && mc_view.PDBfile.isCalcIdHandled(ana.getCalcId())) { exists = true; if (mc_view.PDBfile.isCalcIdForFile(ana, pdbentry.getId())) { found = true; } } } if (exists) { assertTrue( "Couldn't find any annotation for " + pdbentry.getId() + " (file handle " + pdbentry.getFile() + ")", found); } } } } }