typo in decode.decode
Closed this issue · 2 comments
adalke commented
The decode method for the default Converter gives an error:
>>> deepsmiles.Converter().decode("C")
Traceback (most recent call last):
File "<stdin>", line 1, in <module>
File "deepsmiles/converter.py", line 41, in decode
return decode.decode(deepsmiles, rings=self.rings, branches=self.branches)
File "deepsmiles/decode.py", line 242, in decode
return smi
NameError: name 'smi' is not defined
This is because of a typo in decode.py:decode():
def decode(deepsmiles, rings=False, branches=False):
....
if not rings and not branches:
return smi
That last quoted line should be return deepsmiles
.
baoilleach commented
Doh. Will do.
baoilleach commented
Done.