/* * 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.ext.jmol; import static org.testng.Assert.assertEquals; import static org.testng.Assert.assertTrue; import jalview.datamodel.Alignment; import jalview.datamodel.AlignmentI; import jalview.datamodel.ColumnSelection; import jalview.datamodel.Sequence; import jalview.datamodel.SequenceI; import jalview.gui.AlignFrame; import jalview.gui.JvOptionPane; import jalview.gui.SequenceRenderer; import jalview.schemes.JalviewColourScheme; import jalview.structure.StructureMapping; import jalview.structure.StructureMappingcommandSet; import jalview.structure.StructureSelectionManager; import java.util.HashMap; import org.testng.annotations.BeforeClass; import org.testng.annotations.Test; public class JmolCommandsTest { @BeforeClass(alwaysRun = true) public void setUpJvOptionPane() { JvOptionPane.setInteractiveMode(false); JvOptionPane.setMockResponse(JvOptionPane.CANCEL_OPTION); } @Test(groups = { "Functional" }) public void testGetColourBySequenceCommand_noFeatures() { SequenceI seq1 = new Sequence("seq1", "MHRSQTRALK"); SequenceI seq2 = new Sequence("seq2", "MRLEITQSGD"); AlignmentI al = new Alignment(new SequenceI[] { seq1, seq2 }); AlignFrame af = new AlignFrame(al, 800, 500); SequenceRenderer sr = new SequenceRenderer(af.getViewport()); SequenceI[][] seqs = new SequenceI[][] { { seq1 }, { seq2 } }; String[] files = new String[] { "seq1.pdb", "seq2.pdb" }; StructureSelectionManager ssm = new StructureSelectionManager(); // need some mappings! StructureMappingcommandSet[] commands = JmolCommands .getColourBySequenceCommand(ssm, files, seqs, sr, af.alignPanel); } @Test(groups = { "Functional" }) public void testGetColourBySequenceCommands_hiddenColumns() { /* * load these sequences, coloured by Strand propensity, * with columns 2-4 hidden */ SequenceI seq1 = new Sequence("seq1", "MHRSQSSSGG"); SequenceI seq2 = new Sequence("seq2", "MVRSNGGSSS"); AlignmentI al = new Alignment(new SequenceI[] { seq1, seq2 }); AlignFrame af = new AlignFrame(al, 800, 500); af.changeColour_actionPerformed(JalviewColourScheme.Strand.toString()); ColumnSelection cs = new ColumnSelection(); cs.addElement(2); cs.addElement(3); cs.addElement(4); af.getViewport().setColumnSelection(cs); af.hideSelColumns_actionPerformed(null); SequenceRenderer sr = new SequenceRenderer(af.getViewport()); SequenceI[][] seqs = new SequenceI[][] { { seq1 }, { seq2 } }; String[] files = new String[] { "seq1.pdb", "seq2.pdb" }; StructureSelectionManager ssm = new StructureSelectionManager(); /* * map residues 1-10 to residues 21-30 (atoms 105-150) in structures */ HashMap map = new HashMap(); for (int pos = 1; pos <= seq1.getLength(); pos++) { map.put(pos, new int[] { 20 + pos, 5 * (20 + pos) }); } StructureMapping sm1 = new StructureMapping(seq1, "seq1.pdb", "pdb1", "A", map, null); ssm.addStructureMapping(sm1); StructureMapping sm2 = new StructureMapping(seq2, "seq2.pdb", "pdb2", "B", map, null); ssm.addStructureMapping(sm2); StructureMappingcommandSet[] commands = JmolCommands .getColourBySequenceCommand(ssm, files, seqs, sr, af.alignPanel); assertEquals(commands.length, 2); assertEquals(commands[0].commands.length, 1); String chainACommand = commands[0].commands[0]; // M colour is #82827d == (130, 130, 125) (see strand.html help page) assertTrue(chainACommand .contains("select 21:A/1.1;color[130,130,125]")); // first one // H colour is #60609f == (96, 96, 159) assertTrue(chainACommand.contains(";select 22:A/1.1;color[96,96,159]")); // hidden columns are Gray (128, 128, 128) assertTrue(chainACommand .contains(";select 23-25:A/1.1;color[128,128,128]")); // S and G are both coloured #4949b6 == (73, 73, 182) assertTrue(chainACommand .contains(";select 26-30:A/1.1;color[73,73,182]")); String chainBCommand = commands[1].commands[0]; // M colour is #82827d == (130, 130, 125) assertTrue(chainBCommand .contains("select 21:B/2.1;color[130,130,125]")); // V colour is #ffff00 == (255, 255, 0) assertTrue(chainBCommand .contains(";select 22:B/2.1;color[255,255,0]")); // hidden columns are Gray (128, 128, 128) assertTrue(chainBCommand .contains(";select 23-25:B/2.1;color[128,128,128]")); // S and G are both coloured #4949b6 == (73, 73, 182) assertTrue(chainBCommand .contains(";select 26-30:B/2.1;color[73,73,182]")); } }