Test that Jmol polygons scripts generate correctly.

sbliven · sbliven · commit 802abb832c32 · 2021-03-01T17:43:18.000+01:00
This runs QuatSymmetryDetector. It would be better to mock the results,
but this is nontrivial with the current implementation.
diff --git a/biojava-structure-gui/src/test/java/org/biojava/nbio/structure/symmetry/TestJmolSymmetryScriptGenerator.java b/biojava-structure-gui/src/test/java/org/biojava/nbio/structure/symmetry/TestJmolSymmetryScriptGenerator.java
@@ -0,0 +1,67 @@
+/*
+ *                    BioJava development code
+ *
+ * This code may be freely distributed and modified under the
+ * terms of the GNU Lesser General Public Licence.  This should
+ * be distributed with the code.  If you do not have a copy,
+ * see:
+ *
+ *      http://www.gnu.org/copyleft/lesser.html
+ *
+ * Copyright for this code is held jointly by the individual
+ * authors.  These should be listed in @author doc comments.
+ *
+ * For more information on the BioJava project and its aims,
+ * or to join the biojava-l mailing list, visit the home page
+ * at:
+ *
+ *      http://www.biojava.org/
+ *
+ */
+package org.biojava.nbio.structure.symmetry;
+
+import static org.junit.Assert.assertEquals;
+
+import java.io.IOException;
+import java.util.List;
+
+import org.biojava.nbio.structure.Structure;
+import org.biojava.nbio.structure.StructureException;
+import org.biojava.nbio.structure.StructureIO;
+import org.biojava.nbio.structure.cluster.SubunitCluster;
+import org.biojava.nbio.structure.cluster.SubunitClustererParameters;
+import org.biojava.nbio.structure.symmetry.axis.RotationAxisAligner;
+import org.biojava.nbio.structure.symmetry.core.QuatSymmetryDetector;
+import org.biojava.nbio.structure.symmetry.core.QuatSymmetryParameters;
+import org.biojava.nbio.structure.symmetry.core.QuatSymmetryResults;
+import org.biojava.nbio.structure.symmetry.core.RotationGroup;
+import org.biojava.nbio.structure.symmetry.core.Stoichiometry;
+import org.biojava.nbio.structure.symmetry.core.SymmetryPerceptionMethod;
+import org.biojava.nbio.structure.symmetry.jmolScript.JmolSymmetryScriptGeneratorDn;
+import org.junit.Before;
+import org.junit.Test;
+
+/**
+ *
+ * @author Spencer Bliven
+ */
+public class TestJmolSymmetryScriptGenerator {
+    @Before
+    public void setUp() {
+    }
+
+    @Test
+    public void testPolygon() throws IOException, StructureException {
+        Structure struc = StructureIO.getStructure("4hhb");
+        QuatSymmetryParameters sp = new QuatSymmetryParameters();
+		SubunitClustererParameters cp = new SubunitClustererParameters();
+
+        QuatSymmetryResults results = QuatSymmetryDetector.calcGlobalSymmetry(struc, sp, cp);
+        RotationAxisAligner axis = new RotationAxisAligner(results);
+        JmolSymmetryScriptGeneratorDn gen = new JmolSymmetryScriptGeneratorDn(axis, "D3");
+
+        String poly = gen.drawPolyhedron();
+        String expected = "draw polyhedronD30 line{30.02,-39.95,0.59}{29.24,-0.53,40.00}{30.02,38.89,0.59}{30.80,-0.53,-38.82}{30.02,-39.95,0.59}{-30.00,-39.95,-0.60}{-30.79,-0.53,38.81}{-30.00,38.89,-0.60}{-29.22,-0.53,-40.01}{-30.00,-39.95,-0.60}width 0.45 color [x42ffd9] off;draw polyhedronD31 line{29.24,-0.53,40.00}{-30.79,-0.53,38.81}width 0.45 color [x42ffd9] off;draw polyhedronD32 line{30.02,38.89,0.59}{-30.00,38.89,-0.60}width 0.45 color [x42ffd9] off;draw polyhedronD33 line{30.80,-0.53,-38.82}{-29.22,-0.53,-40.01}width 0.45 color [x42ffd9] off;";
+        assertEquals(expected, poly);
+    }
+}
