Thanks. Is there a reason that this is not in the main Mol class?
----
Pozdrawiam, | Best regards,
Maciek Wójcikowski
[email protected]
2016-03-18 17:52 GMT+01:00 Bennion, Brian <[email protected]>:
> This is not a bug nor a feature per se.
>
> You need to set the compounds as PropteryMOl
>
> Ie
>
>
>
> Ketone = [x for x in supplAlkylKetones if x is not None]
>
> for i in range(len(Ketone)):
>
> Ketone[i] = PropertyMol(Ketone[i])
>
>
>
> *From:* Maciek Wójcikowski [mailto:[email protected]]
> *Sent:* Friday, March 18, 2016 9:35 AM
> *To:* RDKit Discuss
> *Subject:* [Rdkit-discuss] Molecular properties + pickling
>
>
>
> Hi all,
>
>
>
> Is it a bug or am I doing something wrong - the properties are not passed
> during pickling in python. Here comes the example:
>
>
>
> from rdkit import Chem
>
> import cPickle as pickle
>
>
>
> mol = Chem.MolFromSmiles('c1ccccc1')
>
> mol.SetProp('aaa', '123')
>
> print list(mol.GetPropNames()) # ['aaa']
>
> mol2 = pickle.loads(pickle.dumps(mol))
>
> print list(mol2.GetPropNames()) # ['']
>
>
>
>
>
> In [19]: rdkit.__version__
>
> Out[19]: '2015.09.2'
>
>
>
> ----
> Pozdrawiam, | Best regards,
> Maciek Wójcikowski
> [email protected]
>
>
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