I would try checking: atom.HasQuery()
I expect the smarts molecules have this property by default and smiles don't. Greg can confirm, and I can double check later today. ---- Brian Kelley > On Nov 7, 2016, at 7:57 AM, Paul Emsley <pems...@mrc-lmb.cam.ac.uk> wrote: > >> On 07/11/2016 12:37, Axel Pahl wrote: >> >> amongst other options, I can generate an RDKit mol object by one of >> these two ways: >> >> mol1 = Chem.MolFromSmiles(<valid Smiles>) >> mol2 = Chem.MolFromSmarts(<valid Smarts>) >> >> Is there a possibility to detect for a given mol object whether it was >> generated from Smiles or Smarts? > > Not obviously to me. > > Perhaps you can do something like this at creation time: > > mol2.SetProp('origin', 'SMARTS') > > then use mol.GetProp('origin') when you need to do the test (inside a > try/except KeyError). > > Paul. > > > ------------------------------------------------------------------------------ > Developer Access Program for Intel Xeon Phi Processors > Access to Intel Xeon Phi processor-based developer platforms. > With one year of Intel Parallel Studio XE. > Training and support from Colfax. > Order your platform today. http://sdm.link/xeonphi > _______________________________________________ > Rdkit-discuss mailing list > Rdkit-discuss@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/rdkit-discuss ------------------------------------------------------------------------------ Developer Access Program for Intel Xeon Phi Processors Access to Intel Xeon Phi processor-based developer platforms. With one year of Intel Parallel Studio XE. Training and support from Colfax. Order your platform today. http://sdm.link/xeonphi _______________________________________________ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss