Made error message slightly more verbose

cyllab · Jun 4, 2024 · 3300080 · 3300080
1 parent 02ce122
commit 3300080
Showing 1 changed file with 6 additions and 1 deletion.
diff --git a/ccinput/calculation.py b/ccinput/calculation.py
@@ -149,9 +149,14 @@ def verify_charge_mult(self):
         odd_m = self.multiplicity % 2
 
         if odd_e == odd_m:
+            if self.file:
+                extra_detail = f" (file={self.file})"
+            else:
+                extra_detail = ""
+
             raise ImpossibleCalculation(
                 f"This combination of charge ({self.charge}) "
-                + f"and multiplicity ({self.multiplicity}) is impossible"
+                + f"and multiplicity ({self.multiplicity}) is impossible{extra_detail}"
             )