Test that if the atom type is not explicitly aromatic, it does not ov…

…erwrite aromaticity information of the configured atom (see bug #1322)
cdk · Aug 10, 2016 · d4b2490 · d4b2490
1 parent 35f580d
commit d4b2490
Showing 1 changed file with 28 additions and 0 deletions.
diff --git a/...standard/src/test/java/org/openscience/cdk/tools/manipulator/AtomTypeManipulatorTest.java b/...standard/src/test/java/org/openscience/cdk/tools/manipulator/AtomTypeManipulatorTest.java
@@ -85,4 +85,32 @@ public void unknownAtomTypeDoesNotModifyProperties() {
         assertThat(atom.getSymbol(), is("C"));
         assertThat(atom.getAtomicNumber(), is(6));
     }
+
+    /**
+     * @cdk.bug 1322
+     */
+    @Test
+    public void aromaticityIsNotOverwritten() {
+        IAtom atom = new Atom(Elements.CARBON);
+        atom.setFlag(CDKConstants.ISAROMATIC, true);
+        IAtomType atomType = new AtomType(Elements.Unknown.toIElement());
+        atomType.setFlag(CDKConstants.ISAROMATIC, false);
+        atomType.setAtomTypeName("C.sp3");
+        AtomTypeManipulator.configure(atom, atomType);
+        assertThat(atom.getFlag(CDKConstants.ISAROMATIC), is(true));
+    }
+
+    /**
+     * @cdk.bug 1322
+     */
+    @Test
+    public void aromaticitySetIfForType() {
+        IAtom atom = new Atom(Elements.CARBON);
+        atom.setFlag(CDKConstants.ISAROMATIC, false);
+        IAtomType atomType = new AtomType(Elements.Unknown.toIElement());
+        atomType.setFlag(CDKConstants.ISAROMATIC, true);
+        atomType.setAtomTypeName("C.am");
+        AtomTypeManipulator.configure(atom, atomType);
+        assertThat(atom.getFlag(CDKConstants.ISAROMATIC), is(true));
+    }
 }