[Code Fix] Added Fluroine to reaction.py

ReactionMechanismGenerator · Jan 29, 2019 · 6da3f21 · 6da3f21
1 parent 4b63989
commit 6da3f21
Showing 1 changed file with 4 additions and 4 deletions.
diff --git a/rmgpy/reaction.py b/rmgpy/reaction.py
@@ -970,11 +970,11 @@ def generatePairs(self):
             productFluorines  = [sum([1 for atom in  product.molecule[0].atoms if atom.isFluorine()]) for product  in products ]
 
             # Sort the reactants and products by C/O/N/S numbers
-            reactants = [(carbon, oxygen, nitrogen, silicon, sulfur, chlorine, iodine, fluorine, reactant) for carbon, oxygen, nitrogen, silicon, sulfur, chlorine, iodine, reactant
-                         in zip(reactantCarbons,reactantOxygens,reactantNitrogens,reactantSilicons,reactantSulfurs,reactantChlorines, reactantIodines, reactants)]
+            reactants = [(carbon, oxygen, nitrogen, silicon, sulfur, chlorine, iodine, fluorine, reactant) for carbon, oxygen, nitrogen, silicon, sulfur, chlorine, iodine, fluorine, reactant
+                         in zip(reactantCarbons,reactantOxygens,reactantNitrogens,reactantSilicons,reactantSulfurs,reactantChlorines, reactantIodines, reactantFluorines, reactants)]
             reactants.sort()
-            products = [(carbon, oxygen, nitrogen, silicon, sulfur, chlorine, iodine, fluorine, product) for carbon, oxygen, nitrogen, silicon, sulfur, chlorine, iodine, product
-                        in zip(productCarbons,productOxygens,productNitrogens,productSilicons,productSulfurs,productChlorines, productIodines, products)]
+            products = [(carbon, oxygen, nitrogen, silicon, sulfur, chlorine, iodine, fluorine, product) for carbon, oxygen, nitrogen, silicon, sulfur, chlorine, iodine, fluorine, product
+                        in zip(productCarbons,productOxygens,productNitrogens,productSilicons,productSulfurs,productChlorines, productIodines, productFluorines, products)]
             products.sort()
 
             while len(reactants) > 1 and len(products) > 1: