I just checked an updated version of the drawing code (there were a couple of messes in there), along with a set of tests that should check that the canvases all work.
It would be really nice if others could give this a quick try and let me know if it works for them as well. -greg 2011/4/18 Greg Landrum <greg.land...@gmail.com>: > Hi, > > 2011/4/18 大軽貴典 <astronaut.g...@gmail.com>: >> >> I encoutered an error in Draw.MolToFile in RDKit_2011_03_1. This error >> never >> occurs in RDKit_2010_12_1. >> >> The following is a sample code. >> ----------------- >> from rdkit.Chem import AllChem >> from rdkit.Chem import Draw >> >> smiles = 'c1ccccc1' >> mol = AllChemMolFromSmiles(smiles) >> >> AllChem.Compute2DCoords(mol) >> >> Draw.MolToFile(mol,"benzene.png") >> >> ------------------ >>>Traceback (most recent call last): >>> Draw.MolToFile(mol,"benzene.png") >>> $RDBASE/rdkit/Chem/Draw/__init__.py", line 108, in MolToFile >>> if useCAIRO or useAgg: >>> NameError: global name 'useCAIRO' is not defined >> >> If I understand correctly, >> Line 108 of __init__.py should be "if useCairo or useAGG:" . >> >> Is that correct? > > Yes, that's correct. Thanks for catching it. > > I'll fix the SVN and do a second release of the RDKit later this week. > > Best Regards, > -greg > ------------------------------------------------------------------------------ Benefiting from Server Virtualization: Beyond Initial Workload Consolidation -- Increasing the use of server virtualization is a top priority.Virtualization can reduce costs, simplify management, and improve application availability and disaster protection. Learn more about boosting the value of server virtualization. http://p.sf.net/sfu/vmware-sfdev2dev _______________________________________________ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
