The SMILES parser no longer automatically recognized aromaticity (it'…

…s OpenSMILES, not old SMILES), but the test was expecting IS_AROMATIC flags, so added perception Change-Id: Iba02d1099d6c036a7b19fd81ba9ad978922b55a2 Signed-off-by: John May <john.wilkinsonmay@gmail.com>
cdk · Oct 3, 2013 · e64edbd · e64edbd
1 parent db55579
commit e64edbd
Showing 1 changed file with 2 additions and 0 deletions.
diff --git a/src/test/org/openscience/cdk/tools/HOSECodeGeneratorTest.java b/src/test/org/openscience/cdk/tools/HOSECodeGeneratorTest.java
@@ -487,6 +487,8 @@ public class HOSECodeGeneratorTest extends CDKTestCase {
      "C-3;*C*C(*C*C,*C/*C*N,*C,*&/*&,*&,*&)"};
 
 		IAtomContainer molecule = (new SmilesParser(DefaultChemObjectBuilder.getInstance())).parseSmiles("C1(C=CN2)=C2C=CC=C1");
+		AtomContainerManipulator.percieveAtomTypesAndConfigureAtoms(molecule);
+		CDKHueckelAromaticityDetector.detectAromaticity(molecule);
 		//display(molecule);
 		HOSECodeGenerator hcg = new HOSECodeGenerator();
 		String s = null;