Skip to content

Commit

Permalink
Regression due to atom type assignment previously removing arom flags.
Browse files Browse the repository at this point in the history
  • Loading branch information
johnmay committed Oct 9, 2016
1 parent f63e6a1 commit f3a4c13
Showing 1 changed file with 1 addition and 1 deletion.
Original file line number Diff line number Diff line change
Expand Up @@ -327,7 +327,7 @@ public void testSFBug956923() throws Exception {
boolean testResults[] = {false, false, false, false, false, false, false, false};
SmilesParser sp = new SmilesParser(DefaultChemObjectBuilder.getInstance());

IAtomContainer mol = sp.parseSmiles("O=c1cccccc1"); // tropone
IAtomContainer mol = sp.parseSmiles("O=C1C=CC=CC=C1"); // tropone
AtomContainerManipulator.percieveAtomTypesAndConfigureAtoms(mol);
Assert.assertFalse(DoubleBondAcceptingAromaticityDetector.detectAromaticity(mol));
Assert.assertEquals(testResults.length, mol.getAtomCount());
Expand Down

0 comments on commit f3a4c13

Please sign in to comment.