From f3a4c13e4aeb38fbb59b5baf277a0ee92101e285 Mon Sep 17 00:00:00 2001 From: John May Date: Sun, 9 Oct 2016 16:24:40 +0100 Subject: [PATCH] Regression due to atom type assignment previously removing arom flags. --- .../aromaticity/DoubleBondAcceptingAromaticityDetectorTest.java | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/legacy/src/test/java/org/openscience/cdk/aromaticity/DoubleBondAcceptingAromaticityDetectorTest.java b/legacy/src/test/java/org/openscience/cdk/aromaticity/DoubleBondAcceptingAromaticityDetectorTest.java index bae998e150c..5857e0a39ef 100644 --- a/legacy/src/test/java/org/openscience/cdk/aromaticity/DoubleBondAcceptingAromaticityDetectorTest.java +++ b/legacy/src/test/java/org/openscience/cdk/aromaticity/DoubleBondAcceptingAromaticityDetectorTest.java @@ -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());