Oopstom commited on
Commit
ca6c875
1 Parent(s): 59e0f15

change app.py

Browse files
Files changed (1) hide show
  1. app.py +5 -5
app.py CHANGED
@@ -110,15 +110,15 @@ def retrosynthesis(reactant, prompt):
110
  lines = f.readlines()
111
 
112
  reactseq_list = []
 
113
  for line in lines:
114
  line = line.replace(" ", "").rstrip("\n")
115
- reactseq_list.append(reactant + ">>>" + line)
 
116
 
117
  # 4. merge reactseq
118
- reactant_smiles = []
119
- for seq in reactseq_list:
120
- reactant_smiles.append(merge_smiles_with_mapping(seq))
121
-
122
  # 5. draw reactants
123
  reactants = []
124
  reactant_images = []
 
110
  lines = f.readlines()
111
 
112
  reactseq_list = []
113
+ reactant_smiles = []
114
  for line in lines:
115
  line = line.replace(" ", "").rstrip("\n")
116
+ reactseq_list.append(line)
117
+ rxn = reactant + ">>>" + line
118
 
119
  # 4. merge reactseq
120
+ reactant_smiles.append(merge_smiles_with_mapping(rxn))
121
+
 
 
122
  # 5. draw reactants
123
  reactants = []
124
  reactant_images = []