raise error when checking for same reactants if provided more than 3 …

…reactants
ReactionMechanismGenerator · Apr 4, 2024 · e77d985 · e77d985
1 parent 09f7354
commit e77d985
Showing 1 changed file with 4 additions and 0 deletions.
diff --git a/rmgpy/data/kinetics/common.py b/rmgpy/data/kinetics/common.py
@@ -263,6 +263,10 @@ def check_for_same_reactants(reactants):
                 same_reactants = 2
             elif reactants[1].is_isomorphic(reactants[2]):
                 same_reactants = 2
+    elif len(reactants) > 3:
+        raise ValueError('Cannot check for duplicate reactants if provided number of reactants is greater than 3. ' 
+                         'Got: {} reactants'.format(len(reactants))) 
+
     return reactants, same_reactants
 
 def find_degenerate_reactions(rxn_list, same_reactants=None, template=None, kinetics_database=None,