package jalview.io; import static org.testng.AssertJUnit.assertEquals; import static org.testng.AssertJUnit.assertNotNull; import static org.testng.AssertJUnit.assertTrue; 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.gui.AlignFrame; import jalview.gui.Desktop; import jalview.structure.StructureMapping; import jalview.structure.StructureSelectionManager; import java.io.File; import org.junit.Assert; import org.testng.annotations.AfterClass; import org.testng.annotations.BeforeClass; import org.testng.annotations.BeforeMethod; import org.testng.annotations.Test; public class AnnotatedPDBFileInputTest { AlignmentI al; String pdbStr = "examples/1gaq.txt"; String pdbId; @BeforeMethod 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(pdbStr, FormatAdapter.FILE); al = af.getViewport().getAlignment(); pdbId = al.getSequenceAt(0).getDatasetSequence().getPDBId() .get(0).getId(); } @Test 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++) { Assert.assertNotEquals( "Found a duplicate annotation row " + avec[p].label, avec[p], avec[q]); } } } @Test public void checkPDBannotationSource() { for (SequenceI asq : al.getSequences()) { for (AlignmentAnnotation aa : asq.getAnnotation()) { System.out.println("CalcId: " + aa.getCalcId()); assertTrue(MCview.PDBfile.isCalcIdForFile(aa, pdbId)); } } } /** * Check sequence features have been added */ @Test public void checkPDBSequenceFeatures() { StructureSelectionManager ssm = StructureSelectionManager .getStructureSelectionManager(Desktop.instance); StructureMapping[] mappings = ssm.getMapping("1gaq"); // suspect we really want to make assertions on sequence features // in these mappings' sequencess /* * 1GAQ/A */ SequenceFeature[] sf = al.getSequenceAt(0).getSequenceFeatures(); assertEquals(296, sf.length); assertEquals("RESNUM", sf[0].getType()); assertEquals("GLU:19 1gaqA", sf[0].getDescription()); assertEquals("RESNUM", sf[295].getType()); assertEquals("TYR:314 1gaqA", sf[295].getDescription()); /* * 1GAQ/B */ sf = al.getSequenceAt(1).getSequenceFeatures(); assertEquals(98, sf.length); assertEquals("RESNUM", sf[0].getType()); assertEquals("ALA:1 1gaqB", sf[0].getDescription()); assertEquals("RESNUM", sf[97].getType()); assertEquals("ALA:98 1gaqB", sf[97].getDescription()); /* * 1GAQ/C */ sf = al.getSequenceAt(2).getSequenceFeatures(); assertEquals(296, sf.length); assertEquals("RESNUM", sf[0].getType()); assertEquals("GLU:19 1gaqC", sf[0].getDescription()); assertEquals("RESNUM", sf[295].getType()); assertEquals("TYR:314 1gaqC", sf[295].getDescription()); } @Test 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 public static void setUpBeforeClass() throws Exception { jalview.bin.Jalview.main(new String[] { "-props", "test/src/jalview/io/testProps.jvprops" }); } /** * @throws java.lang.Exception */ @AfterClass public static void tearDownAfterClass() throws Exception { jalview.gui.Desktop.instance.closeAll_actionPerformed(null); } @Test 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, FormatAdapter.FILE); assertTrue("Didn't read input file " + inFile, af != null); assertTrue("Failed to store as a project.", af.saveAlignment(tfile, "Jalview")); af.closeMenuItem_actionPerformed(true); af = null; af = new jalview.io.FileLoader().LoadFileWaitTillLoaded(tfile, FormatAdapter.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.getPDBId()); assertEquals("Expected only one PDB ID", sq.getPDBId().size(), 1); for (PDBEntry pdbentry : sq.getPDBId()) { 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 && MCview.PDBfile.isCalcIdHandled(ana.getCalcId())) { exists = true; if (MCview.PDBfile.isCalcIdForFile(ana, pdbentry.getId())) { found = true; } } } if (exists) { assertTrue("Couldn't find any annotation for " + pdbentry.getId() + " (file handle " + pdbentry.getFile() + ")", found); } } } } }