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
>
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