We read every piece of feedback, and take your input very seriously.
To see all available qualifiers, see our documentation.
1 parent 3816509 commit 1fd2fadCopy full SHA for 1fd2fad
storage/smiles/src/main/java/org/openscience/cdk/smiles/SmilesParser.java
@@ -790,7 +790,7 @@ else if (chemObj instanceof IAtomContainer)
790
for (Map.Entry<Integer, Integer> e : cxstate.stereoGrps.entrySet()) {
791
IAtom atm = atoms.get(e.getKey());
792
IAtomContainer mol = atomToMol.get(atm);
793
- for (IStereoElement<?, ?> stereo : ((IAtomContainer) chemObj).stereoElements()) {
+ for (IStereoElement<?, ?> stereo : mol.stereoElements()) {
794
// maybe also Al and AT?
795
if (stereo.getConfigClass() == IStereoElement.TH &&
796
stereo.getFocus().equals(atm)) {
0 commit comments