Re: [Rdkit-discuss] Molecular properties + pickling

2016-03-19 Thread Bennion, Brian
, 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

[Rdkit-discuss] Molecular properties + pickling

2016-03-19 Thread Maciek Wójcikowski
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('c1c1') mol.SetProp('aaa', '123') print list(mol.GetPropNames()) # ['aaa'] mol2 =

Re: [Rdkit-discuss] Molecular properties + pickling

2016-03-18 Thread Brian Kelley
> 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:mac...@wojcikowski.pl] >> Sent: Friday, March 18, 2016 9:35 AM >&g