I think there's a bug in IsOption caused by mishandling of options
with parameters:
>>> import pybel
>>> ob = pybel.ob
>>> mol = pybel.readstring("smi", "CC(=O)Cl").OBMol
>>> conv = ob.OBConversion()
>>> conv.SetOutFormat("inchi")
True
>>> print conv.WriteString(mol)
InChI=1S/C2H3ClO/c1-2(3)4/h1H3
>>> conv.SetOptions("X'FixedH'", conv.OUTOPTIONS)
>>> print conv.WriteString(mol)
InChI=1/C2H3ClO/c1-2(3)4/h1H3
Molecules and #0 are different
The "Molecules and #0 are different" should not be there. This is
triggered by the "e" output option, which it thinks has been
specified. When I run the C++ equivalent through the debugger, I see
that it thinks that IsOption("e") is not NULL. I don't quite know how
the OpMap works though so maybe Chris, could you take a look?
Thanks,
- Noel
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