Permalink
Browse files

Extend from CDKTestCase and use the slow running test check

  • Loading branch information...
1 parent 3998ed7 commit 6969629042dbee0e98d31cb37807f75aaadd919f @gilleain gilleain committed with egonw May 13, 2010
Showing with 17 additions and 14 deletions.
  1. +17 −14 src/test/org/openscience/cdk/signature/MoleculeSignatureTest.java
@@ -29,7 +29,10 @@
import junit.framework.Assert;
+import org.junit.Assume;
import org.junit.Test;
+import org.junit.runner.notification.RunListener;
+import org.openscience.cdk.CDKTestCase;
import org.openscience.cdk.DefaultChemObjectBuilder;
import org.openscience.cdk.exception.InvalidSmilesException;
import org.openscience.cdk.graph.AtomContainerAtomPermutor;
@@ -50,7 +53,7 @@
* @author maclean
*
*/
-public class MoleculeSignatureTest {
+public class MoleculeSignatureTest extends CDKTestCase {
private SmilesParser parser;
@@ -365,20 +368,20 @@ public int findFirstAtomIndexForSymbol(
// XXX commented out this test for now, as it takes a long time - this
// is a known weakness of the current implementation
-// @Test
-// public void testPolyPhenylMolecule() throws Exception {
-// String smiles = "C1=CC=C(C=C1)P(C2=CC=CC=C2)(C3=CC=CC=C3)[RhH]" +
-// "(P(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)(P(C7=CC=CC=C7)" +
-// "(C8=CC=CC=C8)C9=CC=CC=C9)P(C%10=CC=CC=C%10)" +
-// "(C%11=CC=CC=C%11)C%12=CC=CC=C%12";
-//// testSmiles(smiles);
-// IMolecule mol = parser.parseSmiles(smiles);
-// int rhIndex = findFirstAtomIndexForSymbol(mol, "Rh");
+ @Test
+ public void testPolyPhenylMolecule() throws Exception {
+ Assume.assumeTrue(runSlowTests());
+ String smiles = "C1=CC=C(C=C1)P(C2=CC=CC=C2)(C3=CC=CC=C3)[RhH]" +
+ "(P(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)(P(C7=CC=CC=C7)" +
+ "(C8=CC=CC=C8)C9=CC=CC=C9)P(C%10=CC=CC=C%10)" +
+ "(C%11=CC=CC=C%11)C%12=CC=CC=C%12";
+ IMolecule mol = parser.parseSmiles(smiles);
+ int rhIndex = findFirstAtomIndexForSymbol(mol, "Rh");
-// MoleculeSignature molSig = new MoleculeSignature(mol);
-// String signatureForRh = molSig.signatureStringForVertex(rhIndex);
-// System.out.println(signatureForRh);
-// }
+ MoleculeSignature molSig = new MoleculeSignature(mol);
+ String signatureForRh = molSig.signatureStringForVertex(rhIndex);
+ System.out.println(signatureForRh);
+ }
@Test
public void methylFerroceneTest() throws Exception {

0 comments on commit 6969629

Please sign in to comment.