Added tests for two cases of aromatic rings

Signed-off-by: Rajarshi Guha <rajarshi.guha@gmail.com>
egonw · Mar 27, 2010 · c26ae95 · c26ae95
1 parent 3b08f1a
commit c26ae95
Showing 1 changed file with 22 additions and 0 deletions.
diff --git a/src/test/org/openscience/cdk/smiles/SmilesParserTest.java b/src/test/org/openscience/cdk/smiles/SmilesParserTest.java
@@ -1816,5 +1816,27 @@ public void testBadRingClosure2() throws InvalidSmilesException {
         SmilesParser p = new SmilesParser(DefaultChemObjectBuilder.getInstance());
         p.parseSmiles("NC1=CC=C(N)C=C");
     }
+
+    @Test
+    public void testPyrolle() throws InvalidSmilesException{
+        SmilesParser p = new SmilesParser(DefaultChemObjectBuilder.getInstance());
+        IMolecule mol = p.parseSmiles("c1c[nH]cc1");
+        for(int i=0;i<5;i++){
+            Assert.assertTrue(mol.getAtom(i).getFlag(CDKConstants.ISAROMATIC));
+        }
+    }
+
+    /**
+     * @cdk.bug 2976054
+     * @throws InvalidSmilesException
+     */
+    @Test
+    public void testAromaticity() throws InvalidSmilesException{
+        SmilesParser p = new SmilesParser(DefaultChemObjectBuilder.getInstance());
+        IMolecule mol = p.parseSmiles("O=Cc1c(OC)nc2s[cH][cH]n12");
+        for(int i=0;i<5;i++){
+            Assert.assertTrue(mol.getAtom(i).getFlag(CDKConstants.ISAROMATIC));
+        }
+    }
 }