Skip to content

Commit

Permalink
Browse files Browse the repository at this point in the history
The CDK manager is now creating 'aromatic' SMILES; this update accomo…
…dates for that
  • Loading branch information
egonw committed Mar 27, 2012
1 parent e86f1a4 commit c949471
Showing 1 changed file with 1 addition and 1 deletion.
Expand Up @@ -629,7 +629,7 @@ public void testSubStructureMatch_List() throws BioclipseException {

@Test
public void testCDKMoleculeFromIMolecule() throws BioclipseException {
final String indoleSmiles = new SmilesGenerator().createSMILES(
final String indoleSmiles = new SmilesGenerator(true).createSMILES(
MoleculeFactory.makeIndole()
);
ICDKMolecule cdkm = cdk.asCDKMolecule(new MockMolecule(indoleSmiles));
Expand Down

0 comments on commit c949471

Please sign in to comment.