import static org.testng.Assert.assertNotNull;
import static org.testng.Assert.assertTrue;
+import java.io.File;
+import java.io.IOException;
+import java.util.List;
+import java.util.Vector;
+
+import org.testng.annotations.AfterClass;
+import org.testng.annotations.AfterMethod;
+import org.testng.annotations.BeforeClass;
+import org.testng.annotations.Test;
+
import jalview.api.FeatureRenderer;
import jalview.api.structures.JalviewStructureDisplayI;
import jalview.bin.Cache;
import jalview.bin.Jalview;
+import jalview.datamodel.AlignmentI;
import jalview.datamodel.DBRefEntry;
import jalview.datamodel.PDBEntry;
+import jalview.datamodel.Sequence;
import jalview.datamodel.SequenceFeature;
import jalview.datamodel.SequenceI;
import jalview.gui.AlignFrame;
import jalview.gui.Preferences;
import jalview.gui.StructureViewer;
import jalview.gui.StructureViewer.ViewerType;
+import jalview.io.DataSourceType;
import jalview.io.FileLoader;
+import jalview.structure.StructureCommand;
import jalview.structure.StructureMapping;
import jalview.structure.StructureSelectionManager;
import jalview.ws.sifts.SiftsClient;
import jalview.ws.sifts.SiftsException;
import jalview.ws.sifts.SiftsSettings;
-import java.io.File;
-import java.io.IOException;
-import java.util.List;
-import java.util.Vector;
-import jalview.io.DataSourceType;
-
-import org.testng.annotations.AfterClass;
-import org.testng.annotations.AfterMethod;
-import org.testng.annotations.BeforeClass;
-import org.testng.annotations.Test;
-
@Test(singleThreaded = true)
public class JalviewChimeraView
{
@BeforeClass(alwaysRun = true)
public static void setUpBeforeClass() throws Exception
{
- Jalview.main(new String[] { "-noquestionnaire", "-nonews", "-props",
- "test/jalview/ext/rbvi/chimera/testProps.jvprops" });
+ Jalview.main(
+ new String[]
+ { "--noquestionnaire", "--nonews", "--props",
+ "test/jalview/ext/rbvi/chimera/testProps.jvprops" });
Cache.setProperty(Preferences.STRUCTURE_DISPLAY,
ViewerType.CHIMERA.name());
Cache.setProperty("SHOW_ANNOTATIONS", "false");
@AfterClass(alwaysRun = true)
public static void tearDownAfterClass() throws Exception
{
- Desktop.instance.closeAll_actionPerformed(null);
+ if (Desktop.instance != null)
+ Desktop.instance.closeAll_actionPerformed(null);
}
@AfterMethod(alwaysRun = true)
@Test(groups = { "External" })
public void testSingleSeqViewChimera()
{
+
String inFile = "examples/1gaq.txt";
AlignFrame af = new FileLoader().LoadFileWaitTillLoaded(inFile,
DataSourceType.FILE);
assertEquals(pdbIds.size(), 1);
PDBEntry pdbEntry = pdbIds.get(0);
assertEquals(pdbEntry.getId(), "1GAQ");
- StructureViewer structureViewer = new StructureViewer(af.getViewport()
- .getStructureSelectionManager());
+ StructureViewer structureViewer = new StructureViewer(
+ af.getViewport().getStructureSelectionManager());
chimeraViewer = structureViewer.viewStructures(pdbEntry,
- new SequenceI[] { sq }, af.getCurrentView().getAlignPanel());
+ new SequenceI[]
+ { sq }, af.getCurrentView().getAlignPanel());
JalviewChimeraBinding binding = (JalviewChimeraBinding) chimeraViewer
.getBinding();
/*
* Wait for viewer load thread to complete
*/
- while (!binding.isFinishedInit())
+ do
{
try
{
} catch (InterruptedException e)
{
}
- }
+ } while (!binding.isFinishedInit() || !chimeraViewer.isVisible());
+
+ assertTrue(binding.isViewerRunning(), "Failed to start Chimera");
- assertTrue(binding.isChimeraRunning(), "Failed to start Chimera");
+ assertEquals(chimeraViewer.getBinding().getPdbCount(), 1);
+ assertTrue(chimeraViewer.hasViewerActionsMenu());
+
+ // now add another sequence and bind to view
+ //
+ AlignmentI al = af.getViewport().getAlignment();
+ PDBEntry xpdb = al.getSequenceAt(0).getPDBEntry("1GAQ");
+ sq = new Sequence("1GAQ",
+ al.getSequenceAt(0).getSequence(25, 95).toString());
+ al.addSequence(sq);
+ structureViewer.viewStructures(new PDBEntry[] { xpdb },
+ new SequenceI[]
+ { sq }, af.getCurrentView().getAlignPanel());
+ /*
+ * Wait for viewer load thread to complete
+ */
+ do
+ {
+ try
+ {
+ Thread.sleep(1500);
+ } catch (InterruptedException q)
+ {
+ }
+ ;
+ } while (!binding.isLoadingFinished());
+
+ // still just one PDB structure shown
assertEquals(chimeraViewer.getBinding().getPdbCount(), 1);
+ // and the viewer action menu should still be visible
+ assertTrue(chimeraViewer.hasViewerActionsMenu());
+
chimeraViewer.closeViewer(true);
chimeraViewer = null;
return;
/*
* use local test PDB and SIFTS files
*/
- String pdbFilePath = new File(
- "test/jalview/ext/rbvi/chimera/4zho.pdb").getPath();
+ String pdbFilePath = new File("test/jalview/ext/rbvi/chimera/4zho.pdb")
+ .getPath();
PDBEntry pdbEntry = new PDBEntry("4ZHO", null, null, pdbFilePath);
String siftsFilePath = new File(
- "test/jalview/ext/rbvi/chimera/4zho.xml.gz")
- .getPath();
+ "test/jalview/ext/rbvi/chimera/4zho.xml.gz").getPath();
SiftsClient.setMockSiftsFile(new File(siftsFilePath));
- StructureViewer structureViewer = new StructureViewer(af.getViewport()
- .getStructureSelectionManager());
+ StructureViewer structureViewer = new StructureViewer(
+ af.getViewport().getStructureSelectionManager());
chimeraViewer = structureViewer.viewStructures(pdbEntry,
- new SequenceI[] { sq }, af.getCurrentView().getAlignPanel());
+ new SequenceI[]
+ { sq }, af.getCurrentView().getAlignPanel());
JalviewChimeraBinding binding = (JalviewChimeraBinding) chimeraViewer
.getBinding();
}
} while (!binding.isFinishedInit());
- assertTrue(binding.isChimeraRunning(), "Failed to launch Chimera");
+ assertTrue(binding.isViewerRunning(), "Failed to launch Chimera");
assertEquals(binding.getPdbCount(), 1);
* (or possibly 52-145 to 1-94 - see JAL-2319)
*/
StructureSelectionManager ssm = binding.getSsm();
- String pdbFile = binding.getPdbFile()[0];
+ String pdbFile = binding.getStructureFiles()[0];
StructureMapping[] mappings = ssm.getMapping(pdbFile);
assertTrue(mappings[0].getMappingDetailsOutput().contains("SIFTS"),
"Failed to perform SIFTS mapping");
sq.addSequenceFeature(new SequenceFeature("metal ion-binding site",
"Iron-Sulfur (2Fe-2S)", 96, 96, Float.NaN, null));
// on a sequence region that is partially mapped to structure:
- sq.addSequenceFeature(new SequenceFeature("helix", null, 50, 60,
- Float.NaN, null));
+ sq.addSequenceFeature(
+ new SequenceFeature("helix", null, 50, 60, Float.NaN, null));
// and again:
- sq.addSequenceFeature(new SequenceFeature("chain", null, 50, 70,
- Float.NaN, null));
+ sq.addSequenceFeature(
+ new SequenceFeature("chain", null, 50, 70, Float.NaN, null));
// add numeric valued features - score is set as attribute value
sq.addSequenceFeature(new SequenceFeature("kd", "hydrophobicity", 62,
62, -2.1f, null));
/*
* ask Chimera for its residue attribute names
*/
- List<String> reply = binding.sendChimeraCommand("list resattr", true);
+ List<String> reply = binding
+ .executeCommand(new StructureCommand("list resattr"), true);
// prefixed and sanitised attribute names for Jalview features:
assertTrue(reply.contains("resattr jv_domain"));
assertTrue(reply.contains("resattr jv_metal_ion_binding_site"));
* ask Chimera for residues with an attribute
* 91 and 96 on sequence --> residues 40 and 45 on chains A and B
*/
- reply = binding.sendChimeraCommand(
- "list resi att jv_metal_ion_binding_site", true);
+ reply = binding.executeCommand(
+ new StructureCommand("list resi att jv_metal_ion_binding_site"),
+ true);
assertEquals(reply.size(), 4);
- assertTrue(reply
- .contains("residue id #0:40.A jv_metal_ion_binding_site \"Iron-Sulfur (2Fe-2S)\" index 40"));
- assertTrue(reply
- .contains("residue id #0:45.A jv_metal_ion_binding_site \"Iron-Sulfur (2Fe-2S)\" index 45"));
- assertTrue(reply
- .contains("residue id #0:40.B jv_metal_ion_binding_site \"Iron-Sulfur (2Fe-2S)\" index 40"));
- assertTrue(reply
- .contains("residue id #0:45.B jv_metal_ion_binding_site \"Iron-Sulfur (2Fe-2S)\" index 45"));
+ assertTrue(reply.contains(
+ "residue id #0:40.A jv_metal_ion_binding_site \"Iron-Sulfur (2Fe-2S)\" index 40"));
+ assertTrue(reply.contains(
+ "residue id #0:45.A jv_metal_ion_binding_site \"Iron-Sulfur (2Fe-2S)\" index 45"));
+ assertTrue(reply.contains(
+ "residue id #0:40.B jv_metal_ion_binding_site \"Iron-Sulfur (2Fe-2S)\" index 40"));
+ assertTrue(reply.contains(
+ "residue id #0:45.B jv_metal_ion_binding_site \"Iron-Sulfur (2Fe-2S)\" index 45"));
/*
* check attributes with score values
* sequence positions 62 and 65 --> residues 11 and 14 on chains A and B
*/
- reply = binding.sendChimeraCommand("list resi att jv_kd", true);
+ reply = binding.executeCommand(
+ new StructureCommand("list resi att jv_kd"), true);
assertEquals(reply.size(), 4);
assertTrue(reply.contains("residue id #0:11.A jv_kd -2.1 index 11"));
assertTrue(reply.contains("residue id #0:14.A jv_kd 3.6 index 14"));
/*
* list residues with positive kd score
*/
- reply = binding.sendChimeraCommand(
- "list resi spec :*/jv_kd>0 attr jv_kd", true);
+ reply = binding.executeCommand(
+ new StructureCommand("list resi spec :*/jv_kd>0 attr jv_kd"),
+ true);
assertEquals(reply.size(), 2);
assertTrue(reply.contains("residue id #0:14.A jv_kd 3.6 index 14"));
assertTrue(reply.contains("residue id #0:14.B jv_kd 3.6 index 14"));
SequenceI fer2Arath = af.getViewport().getAlignment()
.findName("FER2_ARATH");
assertNotNull(fer2Arath, "Didn't find FER2_ARATH");
-
+
/*
* need a Uniprot dbref for SIFTS mapping to work!!
*/
fer2Arath.addDBRef(new DBRefEntry("UNIPROT", "0", "P16972", null));
-
+
/*
* use local test PDB and SIFTS files
*/
- String pdbFilePath = new File(
- "test/jalview/ext/rbvi/chimera/4zho.pdb").getPath();
+ String pdbFilePath = new File("test/jalview/ext/rbvi/chimera/4zho.pdb")
+ .getPath();
PDBEntry pdbEntry = new PDBEntry("4ZHO", null, null, pdbFilePath);
String siftsFilePath = new File(
- "test/jalview/ext/rbvi/chimera/4zho.xml.gz")
- .getPath();
+ "test/jalview/ext/rbvi/chimera/4zho.xml.gz").getPath();
SiftsClient.setMockSiftsFile(new File(siftsFilePath));
-
- StructureViewer structureViewer = new StructureViewer(af.getViewport()
- .getStructureSelectionManager());
+
+ StructureViewer structureViewer = new StructureViewer(
+ af.getViewport().getStructureSelectionManager());
chimeraViewer = structureViewer.viewStructures(pdbEntry,
- new SequenceI[] { fer2Arath }, af.getCurrentView()
- .getAlignPanel());
-
+ new SequenceI[]
+ { fer2Arath }, af.getCurrentView().getAlignPanel());
+
JalviewChimeraBinding binding = (JalviewChimeraBinding) chimeraViewer
.getBinding();
do
{
}
} while (!binding.isFinishedInit());
-
- assertTrue(binding.isChimeraRunning(), "Failed to launch Chimera");
-
+
+ assertTrue(binding.isViewerRunning(), "Failed to launch Chimera");
+
assertEquals(binding.getPdbCount(), 1);
-
+
/*
- * 'perform' menu action to copy visible features to
- * attributes in Chimera
+ * 'perform' menu action to copy Chimera attributes
+ * to features in Jalview
*/
// TODO rename and pull up method to binding interface
// once functionality is added for Jmol as well
- binding.copyStructureAttributesToFeatures("isHelix", af.getViewport()
- .getAlignPanel());
+ binding.copyStructureAttributesToFeatures("isHelix",
+ af.getViewport().getAlignPanel());
/*
* verify 22 residues have isHelix feature
/*
* fetch a numeric valued attribute
*/
- binding.copyStructureAttributesToFeatures("phi", af.getViewport()
- .getAlignPanel());
+ binding.copyStructureAttributesToFeatures("phi",
+ af.getViewport().getAlignPanel());
fr.setVisible("phi");
- List<SequenceFeature> fs = fr.findFeaturesAtRes(fer2Arath, 54);
- assertEquals(fs.size(), 3);
- assertEquals(fs.get(0).getType(), "RESNUM");
- assertEquals(fs.get(1).getType(), "phi");
- assertEquals(fs.get(2).getType(), "phi");
- assertEquals(fs.get(1).getDescription(), "A"); // chain
- assertEquals(fs.get(2).getDescription(), "B");
- assertEquals(fs.get(1).getScore(), -131.0713f, 0.001f);
- assertEquals(fs.get(2).getScore(), -127.39512, 0.001f);
+ List<SequenceFeature> fs = fer2Arath.getFeatures().findFeatures(54, 54,
+ "phi");
+ assertEquals(fs.size(), 2);
+ assertTrue(fs.contains(new SequenceFeature("phi", "A", 54, 54,
+ -131.0713f, "Chimera")));
+ assertTrue(fs.contains(new SequenceFeature("phi", "B", 54, 54,
+ -127.39512f, "Chimera")));
/*
* tear down - also in AfterMethod
int res, String featureType)
{
String where = "at position " + res;
- List<SequenceFeature> fs = fr.findFeaturesAtRes(seq, res);
- assertEquals(fs.size(), 2, where);
- assertEquals(fs.get(0).getType(), "RESNUM", where);
- SequenceFeature sf = fs.get(1);
+ List<SequenceFeature> fs = seq.getFeatures().findFeatures(res, res,
+ featureType);
+
+ assertEquals(fs.size(), 1, where);
+ SequenceFeature sf = fs.get(0);
assertEquals(sf.getType(), featureType, where);
assertEquals(sf.getFeatureGroup(), "Chimera", where);
assertEquals(sf.getDescription(), "True", where);
git://source.jalview.org / jalview.git / blobdiff