[Cdk-commits] SF.net SVN: cdk: [10799] cdk/branches/cdk-egonw-originalstructgen

[<eg...@us...>]

Revision: 10799
          http://cdk.svn.sourceforge.net/cdk/?rev=10799&view=rev
Author:   egonw
Date:     2008-05-03 16:13:27 -0700 (Sat, 03 May 2008)

Log Message:
-----------
Added test for bug 1744463: they fail here too

Modified Paths:
--------------
    cdk/branches/cdk-egonw-originalstructgen/.classpath
    cdk/branches/cdk-egonw-originalstructgen/src/org/openscience/cdk/test/structgen/deterministic/GENMDeterministicGeneratorTest.java

Modified: cdk/branches/cdk-egonw-originalstructgen/.classpath
===================================================================
--- cdk/branches/cdk-egonw-originalstructgen/.classpath	2008-05-03 23:07:03 UTC (rev 10798)
+++ cdk/branches/cdk-egonw-originalstructgen/.classpath	2008-05-03 23:13:27 UTC (rev 10799)
@@ -17,8 +17,8 @@
 	<classpathentry kind="lib" path="jar/xmldb.jar"/>
 	<classpathentry kind="con" path="org.eclipse.jdt.launching.JRE_CONTAINER"/>
 	<classpathentry kind="con" path="org.eclipse.pde.core.requiredPlugins"/>
-	<classpathentry kind="con" path="org.eclipse.jdt.junit.JUNIT_CONTAINER/4"/>
 	<classpathentry kind="lib" path="jar/gnujaxp.jar"/>
 	<classpathentry kind="lib" path="jar/xerces-2.5.0.jar"/>
+	<classpathentry kind="lib" path="jar/junit.jar"/>
 	<classpathentry kind="output" path="bin"/>
 </classpath>

Modified: cdk/branches/cdk-egonw-originalstructgen/src/org/openscience/cdk/test/structgen/deterministic/GENMDeterministicGeneratorTest.java
===================================================================
--- cdk/branches/cdk-egonw-originalstructgen/src/org/openscience/cdk/test/structgen/deterministic/GENMDeterministicGeneratorTest.java	2008-05-03 23:07:03 UTC (rev 10798)
+++ cdk/branches/cdk-egonw-originalstructgen/src/org/openscience/cdk/test/structgen/deterministic/GENMDeterministicGeneratorTest.java	2008-05-03 23:13:27 UTC (rev 10799)
@@ -112,6 +112,30 @@
 		assertOK(structures);
 	}
 	
+	/**
+	 * @cdk.bug 1744463
+	 */
+	public void testEthyne() throws Exception {
+		GENMDeterministicGenerator gdg = new GENMDeterministicGenerator("C2H2");
+		List structures = gdg.getStructures();
+		assertEquals(1, structures.size());
+		assertUnique(structures);
+		assertOK(structures);
+	}
+
+	/**
+	 * @cdk.bug 1744463
+	 */
+	public void testMethane() throws Exception {
+		GENMDeterministicGenerator gdg = new GENMDeterministicGenerator("CH4");
+		List structures = gdg.getStructures();
+		assertEquals(1, structures.size());
+		assertOK(structures);
+		List uniqueSMILES = assertUnique(structures);
+		System.out.println("List: " + uniqueSMILES);
+		assertTrue(uniqueSMILES.contains("C"));
+	}
+
 	public void testPropene() throws Exception {
 		GENMDeterministicGenerator gdg = new GENMDeterministicGenerator("C3H6");
 		List structures = gdg.getStructures();


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