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]<mailto:[email protected]>
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