ENH: Error when 1-4 scaling factors don't match

openforcefield · Jan 24, 2025 · 49afeb6 · 49afeb6
1 parent 1489f0f
commit 49afeb6
Showing 1 changed file with 7 additions and 0 deletions.
diff --git a/openff/interchange/operations/_combine.py b/openff/interchange/operations/_combine.py
@@ -44,6 +44,13 @@ def _check_nonbonded_compatibility(
             f"{interchange1['vdW'].switch_width} and {interchange2['vdW'].switch_width}.",
         )
 
+    if (interchange1["vdW"].scale_14 != interchange2["vdW"].scale_14) or (
+        interchange1["Electrostatics"].scale_14 != interchange2["Electrostatics"].scale_14
+    ):
+        raise UnsupportedCombinationError(
+            "1-4 scaling factors in nonbonded handler(s) (vdW and/or Electrostatics do not match.",
+        )
+
 
 def _combine(
     input1: "Interchange",