Skip to content

Commit 9052aca

Browse files
committed
Update error msg
1 parent d5e362b commit 9052aca

File tree

1 file changed

+1
-2
lines changed

1 file changed

+1
-2
lines changed

chebai/preprocessing/reader.py

Lines changed: 1 addition & 2 deletions
Original file line numberDiff line numberDiff line change
@@ -205,7 +205,7 @@ def _read_data(self, raw_data: str) -> List[int]:
205205
if mol is not None:
206206
raw_data = Chem.MolToSmiles(mol, canonical=True)
207207
except Exception as e:
208-
print(f"RDKit failed to process {raw_data}")
208+
print(f"RDKit failed to canonicalize the SMILES: {raw_data}")
209209
print(f"\t{e}")
210210
try:
211211
mol = Chem.MolFromSmiles(raw_data.strip())
@@ -218,7 +218,6 @@ def _read_data(self, raw_data: str) -> List[int]:
218218
return None
219219

220220
def _back_to_smiles(self, smiles_encoded):
221-
222221
token_file = self.reader.token_path
223222
token_coding = {}
224223
counter = 0

0 commit comments

Comments
 (0)