*/
package jalview.ext.rbvi.chimera;
-import static org.testng.AssertJUnit.assertEquals;
-import static org.testng.AssertJUnit.assertTrue;
-
+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.awt.Color;
-import java.util.Arrays;
+import java.util.HashMap;
import java.util.LinkedHashMap;
import java.util.List;
import java.util.Map;
-import java.util.SortedMap;
import org.testng.annotations.BeforeClass;
import org.testng.annotations.Test;
}
@Test(groups = { "Functional" })
- public void testAddColourRange()
- {
- Map<Color, SortedMap<Integer, Map<String, List<int[]>>>> map = new LinkedHashMap<Color, SortedMap<Integer, Map<String, List<int[]>>>>();
- ChimeraCommands.addColourRange(map, Color.pink, 1, 2, 4, "A");
- ChimeraCommands.addColourRange(map, Color.pink, 1, 8, 8, "A");
- ChimeraCommands.addColourRange(map, Color.pink, 1, 5, 7, "B");
- ChimeraCommands.addColourRange(map, Color.red, 1, 3, 5, "A");
- ChimeraCommands.addColourRange(map, Color.red, 0, 1, 4, "B");
- ChimeraCommands.addColourRange(map, Color.orange, 0, 5, 9, "C");
-
- // three colours mapped
- assertEquals(3, map.keySet().size());
-
- // Red has two models, Pink and Orange one each
- assertEquals(2, map.get(Color.red).keySet().size());
- assertEquals(1, map.get(Color.orange).keySet().size());
- assertEquals(1, map.get(Color.pink).keySet().size());
-
- // pink model 1 has two chains, red.0 / red.1 / orange.0 one each
- assertEquals(2, map.get(Color.pink).get(1).keySet().size());
- assertEquals(1, map.get(Color.red).get(0).keySet().size());
- assertEquals(1, map.get(Color.red).get(1).keySet().size());
- assertEquals(1, map.get(Color.orange).get(0).keySet().size());
-
- // inspect positions
- List<int[]> posList = map.get(Color.pink).get(1).get("A");
- assertEquals(2, posList.size());
- assertTrue(Arrays.equals(new int[] { 2, 4 }, posList.get(0)));
- assertTrue(Arrays.equals(new int[] { 8, 8 }, posList.get(1)));
-
- posList = map.get(Color.pink).get(1).get("B");
- assertEquals(1, posList.size());
- assertTrue(Arrays.equals(new int[] { 5, 7 }, posList.get(0)));
-
- posList = map.get(Color.red).get(0).get("B");
- assertEquals(1, posList.size());
- assertTrue(Arrays.equals(new int[] { 1, 4 }, posList.get(0)));
-
- posList = map.get(Color.red).get(1).get("A");
- assertEquals(1, posList.size());
- assertTrue(Arrays.equals(new int[] { 3, 5 }, posList.get(0)));
-
- posList = map.get(Color.orange).get(0).get("C");
- assertEquals(1, posList.size());
- assertTrue(Arrays.equals(new int[] { 5, 9 }, posList.get(0)));
- }
-
- @Test(groups = { "Functional" })
public void testBuildColourCommands()
{
- Map<Color, SortedMap<Integer, Map<String, List<int[]>>>> map = new LinkedHashMap<Color, SortedMap<Integer, Map<String, List<int[]>>>>();
+ Map<Object, AtomSpecModel> map = new LinkedHashMap<Object, AtomSpecModel>();
ChimeraCommands.addColourRange(map, Color.blue, 0, 2, 5, "A");
ChimeraCommands.addColourRange(map, Color.blue, 0, 7, 7, "B");
ChimeraCommands.addColourRange(map, Color.blue, 0, 9, 23, "A");
ChimeraCommands.addColourRange(map, Color.yellow, 1, 8, 8, "A");
ChimeraCommands.addColourRange(map, Color.yellow, 1, 3, 5, "A");
ChimeraCommands.addColourRange(map, Color.red, 0, 3, 5, "A");
+ ChimeraCommands.addColourRange(map, Color.red, 0, 6, 9, "A");
// Colours should appear in the Chimera command in the order in which
- // they were added; within colour, by model, by chain, and positions as
- // added
+ // they were added; within colour, by model, by chain, ranges in start order
String command = ChimeraCommands.buildColourCommands(map).get(0);
assertEquals(
- "color #0000ff #0:2-5.A,9-23.A,7.B|#1:1.A,4-7.B; color #ffff00 #1:8.A,3-5.A; color #ff0000 #0:3-5.A",
- command);
+ command,
+ "color #0000ff #0:2-5.A,9-23.A,7.B|#1:1.A,4-7.B; color #ffff00 #1:3-5.A,8.A; color #ff0000 #0:3-9.A");
+ }
+
+ @Test(groups = { "Functional" })
+ public void testBuildSetAttributeCommands()
+ {
+ /*
+ * make a map of { featureType, {featureValue, {residue range specification } } }
+ */
+ Map<String, Map<Object, AtomSpecModel>> featuresMap = new LinkedHashMap<String, Map<Object, AtomSpecModel>>();
+ Map<Object, AtomSpecModel> featureValues = new HashMap<Object, AtomSpecModel>();
+
+ /*
+ * start with just one feature/value...
+ */
+ featuresMap.put("chain", featureValues);
+ ChimeraCommands.addColourRange(featureValues, "X", 0, 8, 20, "A");
+
+ List<String> commands = ChimeraCommands
+ .buildSetAttributeCommands(featuresMap);
+ assertEquals(1, commands.size());
+
+ /*
+ * feature name gets a jv_ namespace prefix
+ * feature value is quoted in case it contains spaces
+ */
+ assertEquals(commands.get(0), "setattr r jv_chain 'X' #0:8-20.A");
+
+ // add same feature value, overlapping range
+ ChimeraCommands.addColourRange(featureValues, "X", 0, 3, 9, "A");
+ // same feature value, contiguous range
+ ChimeraCommands.addColourRange(featureValues, "X", 0, 21, 25, "A");
+ commands = ChimeraCommands.buildSetAttributeCommands(featuresMap);
+ assertEquals(1, commands.size());
+ assertEquals(commands.get(0), "setattr r jv_chain 'X' #0:3-25.A");
+
+ // same feature value and model, different chain
+ ChimeraCommands.addColourRange(featureValues, "X", 0, 21, 25, "B");
+ // same feature value and chain, different model
+ ChimeraCommands.addColourRange(featureValues, "X", 1, 26, 30, "A");
+ commands = ChimeraCommands.buildSetAttributeCommands(featuresMap);
+ assertEquals(1, commands.size());
+ assertEquals(commands.get(0),
+ "setattr r jv_chain 'X' #0:3-25.A,21-25.B|#1:26-30.A");
+
+ // same feature, different value
+ ChimeraCommands.addColourRange(featureValues, "Y", 0, 40, 50, "A");
+ commands = ChimeraCommands.buildSetAttributeCommands(featuresMap);
+ assertEquals(2, commands.size());
+ // commands are ordered by feature type but not by value
+ // so use contains to test for the expected command:
+ assertTrue(commands
+ .contains("setattr r jv_chain 'X' #0:3-25.A,21-25.B|#1:26-30.A"));
+ assertTrue(commands.contains("setattr r jv_chain 'Y' #0:40-50.A"));
+
+ featuresMap.clear();
+ featureValues.clear();
+ featuresMap.put("side-chain binding!", featureValues);
+ ChimeraCommands.addColourRange(featureValues,
+ "<html>metal <a href=\"http:a.b.c/x\"> 'ion!", 0, 7, 15,
+ "A");
+ // feature names are sanitised to change non-alphanumeric to underscore
+ // feature values are sanitised to encode single quote characters
+ commands = ChimeraCommands.buildSetAttributeCommands(featuresMap);
+ assertTrue(commands
+ .contains("setattr r jv_side_chain_binding_ '<html>metal <a href=\"http:a.b.c/x\"> 'ion!' #0:7-15.A"));
+ }
+
+ /**
+ * Tests for the method that prefixes and sanitises a feature name so it can
+ * be used as a valid, namespaced attribute name in Chimera
+ */
+ @Test(groups = { "Functional" })
+ public void testMakeAttributeName()
+ {
+ assertEquals(ChimeraCommands.makeAttributeName(null), "jv_");
+ assertEquals(ChimeraCommands.makeAttributeName(""), "jv_");
+ assertEquals(ChimeraCommands.makeAttributeName("helix"), "jv_helix");
+ assertEquals(ChimeraCommands.makeAttributeName("Hello World 24"),
+ "jv_Hello_World_24");
+ assertEquals(
+ ChimeraCommands.makeAttributeName("!this is-a_very*{odd(name"),
+ "jv__this_is_a_very__odd_name");
+ // name ending in color gets underscore appended
+ assertEquals(ChimeraCommands.makeAttributeName("helixColor"),
+ "jv_helixColor_");
+ }
+
+ @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<Integer, int[]> map = new HashMap<Integer, int[]>();
+ 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 = ChimeraCommands
+ .getColourBySequenceCommand(ssm, files, seqs, sr, af.alignPanel);
+ assertEquals(1, commands.length);
+ assertEquals(1, commands[0].commands.length);
+ String theCommand = commands[0].commands[0];
+ // M colour is #82827d (see strand.html help page)
+ assertTrue(theCommand.contains("color #82827d #0:21.A|#1:21.B"));
+ // H colour is #60609f
+ assertTrue(theCommand.contains("color #60609f #0:22.A"));
+ // V colour is ##ffff00
+ assertTrue(theCommand.contains("color #ffff00 #1:22.B"));
+ // hidden columns are Gray (128, 128, 128)
+ assertTrue(theCommand.contains("color #808080 #0:23-25.A|#1:23-25.B"));
+ // S and G are both coloured #4949b6
+ assertTrue(theCommand.contains("color #4949b6 #0:26-30.A|#1:26-30.B"));
}
}
git://source.jalview.org / jalview.git / blobdiff