X-Git-Url: http://source.jalview.org/gitweb/?a=blobdiff_plain;f=test%2Fjalview%2Fext%2Fjmol%2FJmolCommandsTest.java;fp=test%2Fjalview%2Fext%2Fjmol%2FJmolCommandsTest.java;h=88e5833ec972eb3537e1874f463cee74a0449590;hb=d043ce47fc710d3eb2629ba926a8a7417bd67d8c;hp=366d2084cfea1f86277e0b2ad815836a61e6ef2b;hpb=49db0dff1da16c3355b43a41498c1fc93ef47e91;p=jalview.git diff --git a/test/jalview/ext/jmol/JmolCommandsTest.java b/test/jalview/ext/jmol/JmolCommandsTest.java index 366d208..88e5833 100644 --- a/test/jalview/ext/jmol/JmolCommandsTest.java +++ b/test/jalview/ext/jmol/JmolCommandsTest.java @@ -31,6 +31,7 @@ import java.util.Map; import org.testng.annotations.BeforeClass; import org.testng.annotations.Test; + import jalview.datamodel.Alignment; import jalview.datamodel.AlignmentI; import jalview.datamodel.ColumnSelection; @@ -41,10 +42,10 @@ import jalview.gui.SequenceRenderer; import jalview.schemes.JalviewColourScheme; import jalview.structure.AtomSpecModel; import jalview.structure.StructureCommandI; +import jalview.structure.StructureCommandsI.AtomSpecType; import jalview.structure.StructureMapping; import jalview.structure.StructureSelectionManager; - public class JmolCommandsTest { private JmolCommands testee; @@ -76,7 +77,8 @@ public class JmolCommandsTest SequenceRenderer sr = new SequenceRenderer(af.getViewport()); SequenceI[][] seqs = new SequenceI[][] { { seq1 }, { seq2 } }; String[] files = new String[] { "seq1.pdb", "seq2.pdb" }; - StructureSelectionManager ssm = new StructureSelectionManager(); + StructureSelectionManager ssm = StructureSelectionManager.getStructureSelectionManager(null); + /* * map residues 1-10 to residues 21-30 (atoms 105-150) in structures */ @@ -91,11 +93,11 @@ public class JmolCommandsTest StructureMapping sm2 = new StructureMapping(seq2, "seq2.pdb", "pdb2", "B", map, null); ssm.addStructureMapping(sm2); - String[] commands = testee.colourBySequence(ssm, - files, - seqs, sr, af.alignPanel); + + // TODO - comments in testee suggest this tests an obsolete method! + String[] commands = testee.colourBySequence(ssm, files, seqs, sr, + af.alignPanel); assertEquals(commands.length, 2); - assertEquals(commands[0].commands.length, 1); // from 2.12 merge from 2.11.2 String chainACommand = commands[0]; // M colour is #82827d == (130, 130, 125) (see strand.html help page) @@ -129,34 +131,36 @@ public class JmolCommandsTest public void testGetAtomSpec() { AtomSpecModel model = new AtomSpecModel(); - assertEquals(testee.getAtomSpec(model, false), ""); + assertEquals(testee.getAtomSpec(model, AtomSpecType.RESIDUE_ONLY), ""); model.addRange("1", 2, 4, "A"); - assertEquals(testee.getAtomSpec(model, false), "2-4:A/1.1"); + assertEquals(testee.getAtomSpec(model, AtomSpecType.RESIDUE_ONLY), + "2-4:A/1.1"); model.addRange("1", 8, 8, "A"); - assertEquals(testee.getAtomSpec(model, false), "2-4:A/1.1|8:A/1.1"); + assertEquals(testee.getAtomSpec(model, AtomSpecType.RESIDUE_ONLY), + "2-4:A/1.1|8:A/1.1"); model.addRange("1", 5, 7, "B"); - assertEquals(testee.getAtomSpec(model, false), + assertEquals(testee.getAtomSpec(model, AtomSpecType.RESIDUE_ONLY), "2-4:A/1.1|8:A/1.1|5-7:B/1.1"); model.addRange("1", 3, 5, "A"); - assertEquals(testee.getAtomSpec(model, false), + assertEquals(testee.getAtomSpec(model, AtomSpecType.RESIDUE_ONLY), "2-5:A/1.1|8:A/1.1|5-7:B/1.1"); model.addRange("2", 1, 4, "B"); - assertEquals(testee.getAtomSpec(model, false), + assertEquals(testee.getAtomSpec(model, AtomSpecType.RESIDUE_ONLY), "2-5:A/1.1|8:A/1.1|5-7:B/1.1|1-4:B/2.1"); model.addRange("2", 5, 9, "C"); - assertEquals(testee.getAtomSpec(model, false), + assertEquals(testee.getAtomSpec(model, AtomSpecType.RESIDUE_ONLY), "2-5:A/1.1|8:A/1.1|5-7:B/1.1|1-4:B/2.1|5-9:C/2.1"); model.addRange("1", 8, 10, "B"); - assertEquals(testee.getAtomSpec(model, false), + assertEquals(testee.getAtomSpec(model, AtomSpecType.RESIDUE_ONLY), "2-5:A/1.1|8:A/1.1|5-10:B/1.1|1-4:B/2.1|5-9:C/2.1"); model.addRange("1", 8, 9, "B"); - assertEquals(testee.getAtomSpec(model, false), + assertEquals(testee.getAtomSpec(model, AtomSpecType.RESIDUE_ONLY), "2-5:A/1.1|8:A/1.1|5-10:B/1.1|1-4:B/2.1|5-9:C/2.1"); model.addRange("2", 3, 10, "C"); // subsumes 5-9 - assertEquals(testee.getAtomSpec(model, false), + assertEquals(testee.getAtomSpec(model, AtomSpecType.RESIDUE_ONLY), "2-5:A/1.1|8:A/1.1|5-10:B/1.1|1-4:B/2.1|3-10:C/2.1"); model.addRange("5", 25, 35, " "); - assertEquals(testee.getAtomSpec(model, false), + assertEquals(testee.getAtomSpec(model, AtomSpecType.RESIDUE_ONLY), "2-5:A/1.1|8:A/1.1|5-10:B/1.1|1-4:B/2.1|3-10:C/2.1|25-35:/5.1"); } @@ -198,7 +202,8 @@ public class JmolCommandsTest toAlign.addRange("2", 20, 21, "B"); toAlign.addRange("2", 22, 22, "C"); List command = testee.superposeStructures(ref, - toAlign); + toAlign, AtomSpecType.ALPHA); // doesn't matter for Jmol whether nuc + // or protein assertEquals(command.size(), 1); String refSpec = "12-14:A/1.1|18:B/1.1|22-23:B/1.1"; String toAlignSpec = "15-17:B/2.1|20-21:B/2.1|22:C/2.1";