Illegal argument when the new atom already exists in the molecule.

cdk · Jul 20, 2016 · 706c84b · 706c84b
1 parent 38b2f34
commit 706c84b
Showing 1 changed file with 2 additions and 0 deletions.
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
@@ -146,6 +146,8 @@ public static boolean replaceAtomByAtom(final IAtomContainer container, final IA
                 container.setAtom(i, newAtom);
                 atomremap.put(oldAtom, newAtom);
             } else {
+                if (atom == newAtom)
+                    throw new IllegalArgumentException("Cannot replace atom with one from the same molecule.");
                 atomremap.put(atom, atom);
             }
         }