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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