Hi Noel, Thanks! I appreciate it. I will take a look tomorrow as well.
- Lee-Ping On Aug 23, 2013, at 12:26 PM, Noel O'Boyle wrote: > Looks like a SWIG wrapping issue. > > If you are compiling the bindings yourself, adding: > %include <std_shared_ptr.i> > ...close to the start of the openbabel-python.i file might simply sort > out the problem. I'll take a look asap. > > - Noel > > On 20 August 2013 19:13, Lee-Ping Wang <leep...@stanford.edu> wrote: >> Hi there, >> >> I'm using OpenBabel in a Python script, and I created several OBMol >> objects that I would like to organize into an OBReaction object. >> However, I am getting the following TypeError: >> >> obm = ob.OBMol() >> obcsvg = ob.OBConversion() >> obcsvg.SetInAndOutFormats("xyz","svg") >> obcsvg.ReadFile(obm, sys.argv[1]) >> obr = ob.OBReaction() >> obr.AddReactant(obm) >> >> Traceback (most recent call last): >> File "./xyzob.py", line 23, in <module> >> obr.AddReactant(obm) >> TypeError: in method 'OBReaction_AddReactant', argument 2 of type >> 'shared_ptr< OpenBabel::OBMol > const' >> >> It seems the AddReactant() method is expecting a shared_ptr, or >> something else that Python cannot provide. Am I doing something wrong, >> or should the wrapping be improved? >> >> Thanks, >> >> - Lee-Ping >> >> ------------------------------------------------------------------------------ >> Introducing Performance Central, a new site from SourceForge and >> AppDynamics. Performance Central is your source for news, insights, >> analysis and resources for efficient Application Performance Management. >> Visit us today! >> http://pubads.g.doubleclick.net/gampad/clk?id=48897511&iu=/4140/ostg.clktrk >> _______________________________________________ >> OpenBabel-discuss mailing list >> OpenBabel-discuss@lists.sourceforge.net >> https://lists.sourceforge.net/lists/listinfo/openbabel-discuss ------------------------------------------------------------------------------ Introducing Performance Central, a new site from SourceForge and AppDynamics. Performance Central is your source for news, insights, analysis and resources for efficient Application Performance Management. Visit us today! http://pubads.g.doubleclick.net/gampad/clk?id=48897511&iu=/4140/ostg.clktrk _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss