Create atoms using atomic number rather than symbol.

cdk · Feb 17, 2017 · 8eb60ae · 8eb60ae
1 parent 4f384e7
commit 8eb60ae
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/...tandard/src/main/java/org/openscience/cdk/tools/manipulator/AtomContainerManipulator.java b/...tandard/src/main/java/org/openscience/cdk/tools/manipulator/AtomContainerManipulator.java
@@ -1344,7 +1344,7 @@ public static IAtomContainer skeleton(IAtomContainer src) {
         IBond[] bonds = new IBond[src.getBondCount()];
 
         for (int i = 0; i < atoms.length; i++) {
-            atoms[i] = builder.newInstance(IAtom.class, src.getAtom(i).getSymbol());
+            atoms[i] = builder.newInstance(IAtom.class, src.getAtom(i).getAtomicNumber());
         }
         for (int i = 0; i < bonds.length; i++) {
             IBond bond = src.getBond(i);