Maciek, the lack of serializing properties happens due to a quirk of the
current serialization method.
We are hoping to have a proper solution sometime this year, it is currently a
work in progress, the current obstacle is making it backwards compatible so old
versions can still read the new one ( with the same loss of properties ).
----
Brian Kelley
> On Mar 18, 2016, at 1:04 PM, Maciek Wójcikowski <[email protected]> wrote:
>
> 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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