/* * 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.analysis.scoremodels; import static org.testng.Assert.assertEquals; import static org.testng.Assert.assertTrue; import jalview.api.analysis.ScoreModelI; import jalview.api.analysis.SimilarityParamsI; import jalview.datamodel.Alignment; import jalview.datamodel.AlignmentAnnotation; import jalview.datamodel.AlignmentI; import jalview.datamodel.AlignmentView; import jalview.datamodel.Annotation; import jalview.datamodel.Sequence; import jalview.datamodel.SequenceFeature; import jalview.datamodel.SequenceI; import jalview.gui.AlignFrame; import jalview.gui.AlignViewport; import jalview.gui.JvOptionPane; import jalview.io.DataSourceType; import jalview.io.FileLoader; import jalview.math.MatrixI; import org.testng.Assert; import org.testng.annotations.BeforeClass; import org.testng.annotations.DataProvider; import org.testng.annotations.Test; // This class tests methods in Class SecondaryStructureDistanceModel public class SecondaryStructureDistanceModelTest { /** * Verify computed distances of sequences with gap */ @Test(groups = "Functional") public void testFindDistances_withGap() { AlignFrame af = setupAlignmentViewWithGap(); AlignViewport viewport = af.getViewport(); AlignmentView view = viewport.getAlignmentView(false); ScoreModelI sm = new SecondaryStructureDistanceModel(); sm = ScoreModels.getInstance().getScoreModel(sm.getName(), af.alignPanel); /* * feature distance model always normalises by region width * gap-gap is always included (but scores zero) * the only variable parameter is 'includeGaps' */ /* * include gaps * score = 0 + 0 + 1 + 0 = 1/4 */ SimilarityParamsI params = new SimilarityParams(false, true, true, true); params.setSecondaryStructureSource("3D Structures"); MatrixI distances = sm.findDistances(view, params); assertEquals(distances.getValue(0, 0), 1d); assertEquals(distances.getValue(1, 1), 1d); assertEquals(distances.getValue(0, 1), 0d); assertEquals(distances.getValue(1, 0), 0d); /* * exclude gaps * score = 0 + 0 + 0 + 0 = 0/4 */ SimilarityParamsI params2 = new SimilarityParams(false, true, false, true); params2.setSecondaryStructureSource("3D Structures"); MatrixI distances2 = sm.findDistances(view, params2); assertEquals(distances2.getValue(0, 1), 0d); assertEquals(distances2.getValue(1, 0), 0d); } /** * Verify computed distances of sequences with gap */ @Test(groups = "Functional") public void testFindDistances_withSSUndefinedInEitherOneSeq() { AlignFrame af = setupAlignmentViewWithoutSS("either"); AlignViewport viewport = af.getViewport(); AlignmentView view = viewport.getAlignmentView(false); ScoreModelI sm = new SecondaryStructureDistanceModel(); sm = ScoreModels.getInstance().getScoreModel(sm.getName(), af.alignPanel); /* * feature distance model always normalises by region width * gap-gap is always included (but scores zero) * the only variable parameter is 'includeGaps' */ /* * include gaps * score = 0 + 0 + 2 + 2 = 2/4 */ SimilarityParamsI params = new SimilarityParams(false, true, true, true); params.setSecondaryStructureSource("3D Structures"); MatrixI distances = sm.findDistances(view, params); assertEquals(distances.getValue(0, 0), 1d); assertEquals(distances.getValue(1, 1), 1d); assertEquals(distances.getValue(0, 1), 0d); assertEquals(distances.getValue(1, 0), 0d); /* * exclude gaps * score = 0 + 0 + 2 + 2 = 2/4 */ SimilarityParamsI params2 = new SimilarityParams(false, true, false, true); params2.setSecondaryStructureSource("3D Structures"); MatrixI distances2 = sm.findDistances(view, params2); assertEquals(distances2.getValue(0, 1), 0d); assertEquals(distances2.getValue(1, 0), 0d); } /** * Verify computed distances of sequences with gap */ @Test(groups = "Functional") public void testFindDistances_withSSUndefinedInBothSeqs() { AlignFrame af = setupAlignmentViewWithoutSS("both"); AlignViewport viewport = af.getViewport(); AlignmentView view = viewport.getAlignmentView(false); ScoreModelI sm = new SecondaryStructureDistanceModel(); sm = ScoreModels.getInstance().getScoreModel(sm.getName(), af.alignPanel); /* * feature distance model always normalises by region width * gap-gap is always included (but scores zero) * the only variable parameter is 'includeGaps' */ /* * include gaps * score = 0 + 0 + 2 + 2 = 2/4 */ SimilarityParamsI params = new SimilarityParams(false, true, true, true); params.setSecondaryStructureSource("3D Structures"); MatrixI distances = sm.findDistances(view, params); assertEquals(distances.getValue(0, 0), 1d); assertEquals(distances.getValue(1, 1), 1d); assertEquals(distances.getValue(0, 1), 0d); assertEquals(distances.getValue(1, 0), 0d); /* * exclude gaps * score = 0 + 0 + 2 + 2 = 2/4 */ SimilarityParamsI params2 = new SimilarityParams(false, true, false, true); params2.setSecondaryStructureSource("3D Structures"); MatrixI distances2 = sm.findDistances(view, params2); assertEquals(distances2.getValue(0, 1), 0d); assertEquals(distances2.getValue(1, 0), 0d); } /** *
   * Set up
   *   column      1 2 3 4 
   *        seq s1 F R K S
   *        
   *        seq s2 F S J L
   * 
* * @return */ protected AlignFrame setupAlignmentView(String similar) { /* * sequences without gaps */ SequenceI s1 = new Sequence("s1", "FRKS"); SequenceI s2 = new Sequence("s2", "FSJL"); s1.addSequenceFeature( new SequenceFeature("chain", null, 1, 4, 0f, null)); s1.addSequenceFeature( new SequenceFeature("domain", null, 1, 4, 0f, null)); s2.addSequenceFeature( new SequenceFeature("chain", null, 1, 4, 0f, null)); s2.addSequenceFeature( new SequenceFeature("metal", null, 1, 4, 0f, null)); s2.addSequenceFeature( new SequenceFeature("Pfam", null, 1, 4, 0f, null)); /* * Set up secondary structure annotations */ Annotation ssE = new Annotation("","",'E',0); Annotation ssH = new Annotation("","",'H',0); Annotation ssC = new Annotation(".","",' ',0); Annotation[] anns1; Annotation[] anns2; /* All secondary structure annotations are similar for each column * Set up * column 1 2 3 4 * seq s1 F R K S * ss E H S E * * seq s2 F S J L * ss E H S E */ if(similar == "All Similar") { anns1 = new Annotation[] { ssE, ssH, ssC, ssE}; anns2 = new Annotation[] { ssE, ssH, ssC, ssE}; } /* All secondary structure annotations are dissimilar for each column * Set up * column 1 2 3 4 * seq s1 F R K S * ss E E C E * * seq s2 F S J L * ss H E E C */ else if(similar == "Not Similar") { anns1 = new Annotation[] { ssE, ssE, ssC, ssE}; anns2 = new Annotation[] { ssH, ssH, ssE, ssC}; } /* All secondary structure annotations are dissimilar for each column * Set up * column 1 2 3 4 * seq s1 F R K S * ss E E C E * * seq s2 F S J L * ss H E E C */ else if(similar == "With Coil") { anns1 = new Annotation[] { ssE, ssE, null, ssE}; anns2 = new Annotation[] { ssH, ssH, ssE, null}; } /* Set up * column 1 2 3 4 * seq s1 F R K S * ss H E C E * * seq s2 F S J L * ss H E E C */ else { anns1 = new Annotation[] { ssH, ssE, ssC, ssE}; anns2 = new Annotation[] { ssH, ssE, ssE, ssC}; } AlignmentAnnotation ann1 = new AlignmentAnnotation("Secondary Structure", "Secondary Structure", anns1); AlignmentAnnotation ann2 = new AlignmentAnnotation("Secondary Structure", "Secondary Structure", anns2); s1.addAlignmentAnnotation(ann1); s2.addAlignmentAnnotation(ann2); AlignmentI al = new Alignment(new SequenceI[] { s1, s2 }); AlignFrame af = new AlignFrame(al, 300, 300); af.setShowSeqFeatures(true); af.getFeatureRenderer().findAllFeatures(true); return af; } /** *
   * Set up
   *   column      1 2 3 4 
   *        seq s1 F R   S
   *        	  SS H E   C
   *        
   *        seq s2 F S J L
   *        	  ss H E E C
   * 
* * @return */ protected AlignFrame setupAlignmentViewWithGap() { SequenceI s1 = new Sequence("s1", "FR S"); SequenceI s2 = new Sequence("s2", "FSJL"); s1.addSequenceFeature( new SequenceFeature("chain", null, 1, 3, 0f, null)); s1.addSequenceFeature( new SequenceFeature("domain", null, 1, 3, 0f, null)); s2.addSequenceFeature( new SequenceFeature("chain", null, 1, 4, 0f, null)); s2.addSequenceFeature( new SequenceFeature("metal", null, 1, 4, 0f, null)); s2.addSequenceFeature( new SequenceFeature("Pfam", null, 1, 4, 0f, null)); Annotation ssE = new Annotation("","",'E',0); Annotation ssH = new Annotation("","",'H',0); Annotation ssC = new Annotation(".","",' ',0); Annotation[] anns1; Annotation[] anns2; anns1 = new Annotation[] { ssH, ssE, ssC}; anns2 = new Annotation[] { ssH, ssE, ssE, ssC}; AlignmentAnnotation ann1 = new AlignmentAnnotation("Secondary Structure", "Secondary Structure", anns1); AlignmentAnnotation ann2 = new AlignmentAnnotation("Secondary Structure", "Secondary Structure", anns2); s1.addAlignmentAnnotation(ann1); s2.addAlignmentAnnotation(ann2); AlignmentI al = new Alignment(new SequenceI[] { s1, s2 }); AlignFrame af = new AlignFrame(al, 300, 300); af.setShowSeqFeatures(true); af.getFeatureRenderer().findAllFeatures(true); return af; } protected AlignFrame setupAlignmentViewWithoutSS(String type) { SequenceI s1 = new Sequence("s1", "FR S"); SequenceI s2 = new Sequence("s2", "FSJL"); s1.addSequenceFeature( new SequenceFeature("chain", null, 1, 3, 0f, null)); s1.addSequenceFeature( new SequenceFeature("domain", null, 1, 3, 0f, null)); s2.addSequenceFeature( new SequenceFeature("chain", null, 1, 4, 0f, null)); s2.addSequenceFeature( new SequenceFeature("metal", null, 1, 4, 0f, null)); s2.addSequenceFeature( new SequenceFeature("Pfam", null, 1, 4, 0f, null)); if(!type.equals("both")) { Annotation ssE = new Annotation("","",'E',0); Annotation ssH = new Annotation("","",'H',0); Annotation ssC = new Annotation(".","",' ',0); Annotation[] anns1; anns1 = new Annotation[] { ssH, ssE, ssC}; AlignmentAnnotation ann1 = new AlignmentAnnotation("Secondary Structure", "Secondary Structure", anns1); s1.addAlignmentAnnotation(ann1); } AlignmentI al = new Alignment(new SequenceI[] { s1, s2 }); AlignFrame af = new AlignFrame(al, 300, 300); af.setShowSeqFeatures(true); af.getFeatureRenderer().findAllFeatures(true); return af; } @DataProvider(name = "testData") public Object[][] testData() { return new Object[][] { {"All Similar", 1d, 1d, 0d, 0d / 4}, {"Partially Similar", 1d, 1d, 0d, 0d}, {"Not Similar", 1d, 1d, 0d, 0d}, {"With Coil", 1d, 1d, 0d, 0d}, }; } @Test(dataProvider = "testData") public void testFindDistances(String scenario, double expectedValue00, double expectedValue11, double expectedValue01, double expectedValue10) { AlignFrame af = setupAlignmentView(scenario); AlignViewport viewport = af.getViewport(); AlignmentView view = viewport.getAlignmentView(false); ScoreModelI sm = new SecondaryStructureDistanceModel(); sm = ScoreModels.getInstance().getScoreModel(sm.getName(), af.alignPanel); SimilarityParamsI params = new SimilarityParams(false, true, true, true); params.setSecondaryStructureSource("3D Structures"); MatrixI distances = sm.findDistances(view, params); assertEquals(distances.getValue(0, 0), expectedValue00); assertEquals(distances.getValue(1, 1), expectedValue11); assertEquals(distances.getValue(0, 1), expectedValue01); assertEquals(distances.getValue(1, 0), expectedValue10); } }