Handle exo-bond aromaticity, not strictly correct (doesn't match AlogP model) but fine.

johnmay · johnmay · commit 5fc2532cb0d6 · 2019-02-01T11:18:03.000Z
diff --git a/descriptor/qsarmolecular/src/main/java/org/openscience/cdk/qsar/descriptors/molecular/ALOGPDescriptor.java b/descriptor/qsarmolecular/src/main/java/org/openscience/cdk/qsar/descriptors/molecular/ALOGPDescriptor.java
@@ -675,7 +675,10 @@ private void calcGroup017_019_020_038_to_041(int i) {
 
         IAtom ai = atomContainer.getAtom(i);
 
-        if (!fragment[i].equals("SdssC")) return;
+        if (!fragment[i].equals("SdssC") &&
+            !fragment[i].equals("SdaaC")) {
+            return;
+        }
 
         List ca = atomContainer.getConnectedAtomsList(ai);
 
