diff --git a/rmgpy/chemkin.pyx b/rmgpy/chemkin.pyx index d62c0b64569..1096bcbade5 100644 --- a/rmgpy/chemkin.pyx +++ b/rmgpy/chemkin.pyx @@ -1969,8 +1969,8 @@ def mark_duplicate_reaction(test_reaction, reaction_list): # duplicates of one another. # RHW question: why can't TemplateReaction be duplicate of LibraryReaction, in Chemkin terms? I guess it shouldn't happen in RMG. continue - same_dir_match = (reaction1.reactants == reaction2.reactants and reaction1.products == reaction2.products) - opposite_dir_match = (reaction1.products == reaction2.reactants and reaction1.reactants == reaction2.products) + same_dir_match = (sorted(reaction1.reactants) == sorted(reaction2.reactants) and sorted(reaction1.products) == sorted(reaction2.products)) + opposite_dir_match = (sorted(reaction1.products) == sorted(reaction2.reactants) and sorted(reaction1.reactants) == sorted(reaction2.products)) if (same_dir_match or opposite_dir_match) and (reaction1.specific_collider == reaction2.specific_collider): if reaction1.duplicate and reaction2.duplicate: if reaction1.kinetics.is_pressure_dependent() != reaction2.kinetics.is_pressure_dependent():