change app.py
Browse files
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(
|
|
|
|
| 116 |
|
| 117 |
# 4. merge reactseq
|
| 118 |
-
|
| 119 |
-
|
| 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 = []
|