Check the correct atom is a hydrogen.

Change-Id: I3c89f122ae3f172b856297655022c32177edb19f Signed-off-by: Egon Willighagen <egonw@users.sourceforge.net>
cdk · Jan 7, 2014 · a58e340 · a58e340
1 parent 9b7a0f4
commit a58e340
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/src/main/org/openscience/cdk/graph/invariant/Canon.java b/src/main/org/openscience/cdk/graph/invariant/Canon.java
@@ -253,7 +253,7 @@ public static long[] basicInvariants(IAtomContainer container,
 
             // count non-suppressed (explicit) hydrogens
             for (int w : graph[v])
-                if (atomicNumber(atom) == 1)
+                if (atomicNumber(container.getAtom(w)) == 1)
                     expH++;
 
             long label = 0; // connectivity (first in)