Mols were wrong way round... wonder if this would have change results…

… n years ago... (in CDK Legacy)
cdk · May 18, 2018 · 422d778 · 422d778
1 parent 016450b
commit 422d778
Showing 1 changed file with 2 additions and 2 deletions.
diff --git a/legacy/src/main/java/org/openscience/cdk/smsd/algorithm/vflib/VFlibMCSHandler.java b/legacy/src/main/java/org/openscience/cdk/smsd/algorithm/vflib/VFlibMCSHandler.java
@@ -312,8 +312,8 @@ private void setVFMappings(boolean rONP, IQuery query) {
                 } else {
                     tAtom = query.getAtom(mapping.getKey());
                     qAtom = mapping.getValue();
-                    qIndex = getReactantMol().indexOf(qAtom);
-                    tIndex = getProductMol().indexOf(tAtom);
+                    qIndex = getProductMol().indexOf(qAtom);
+                    tIndex = getReactantMol().indexOf(tAtom);
                 }
 
                 if (qIndex != -1 && tIndex != -1) {