Changed saturation conditional to also check that a bond is not aroma…

…tic. Signed-off-by: Egon Willighagen <egonw@users.sourceforge.net>
cdk · Jan 30, 2013 · f4b625f · f4b625f
1 parent 29d6fbb
commit f4b625f
Showing 1 changed file with 2 additions and 1 deletion.
diff --git a/src/main/org/openscience/cdk/fingerprint/PubchemFingerprinter.java b/src/main/org/openscience/cdk/fingerprint/PubchemFingerprinter.java
@@ -182,7 +182,8 @@ private boolean isCarbonOnlyRing(IAtomContainer ring) {
 
         private boolean isRingSaturated(IAtomContainer ring) {
             for (IBond ringBond : ring.bonds()) {
-                if (ringBond.getOrder() != IBond.Order.SINGLE) return false;
+                if (ringBond.getOrder() != IBond.Order.SINGLE
+                        || ringBond.getFlag(CDKConstants.ISAROMATIC)) return false;
             }
             return true;
         }