Documentation Example Doesn't Work
JacksonBurns opened this issue · 1 comments
JacksonBurns commented
This example of initializing an RDMCMol from a SMIELS string in the docs: https://github.com/xiaoruiDong/RDMC/blob/main/docs/source/index.rst?plain=1#L40 doesn't work, raising this error:
>>> m = RDKitMol('C')
Traceback (most recent call last):
File "<stdin>", line 1, in <module>
File "C:\Users\ChemEGrad2022\mambaforge\envs\fastprop310\lib\site-packages\rdmc\mol.py", line 70, in __init__
raise ValueError(f'mol should be rdkit.Chem.rdchem.Mol / RWMol. '
ValueError: mol should be rdkit.Chem.rdchem.Mol / RWMol. Got: <class 'str'>
xiaoruiDong commented
This example of initializing an RDMCMol from a SMIELS string in the docs: https://github.com/xiaoruiDong/RDMC/blob/main/docs/source/index.rst?plain=1#L40 doesn't work, raising this error:
>>> m = RDKitMol('C') Traceback (most recent call last): File "<stdin>", line 1, in <module> File "C:\Users\ChemEGrad2022\mambaforge\envs\fastprop310\lib\site-packages\rdmc\mol.py", line 70, in __init__ raise ValueError(f'mol should be rdkit.Chem.rdchem.Mol / RWMol. ' ValueError: mol should be rdkit.Chem.rdchem.Mol / RWMol. Got: <class 'str'>
Wow. Thank you for catching this. I can't believe I kept this wrong for so long...