openbabel-scripting

[OpenBabel-scripting] cast needed for OBChiralData in Python bindings

[Beda K. <Bed...@vs...>]

Hello,

I would like to use python bindings to opanbabel to access
stereochemical information stored in OBChiralData.
Unfortunately what I get from the atom by using GetData() is an
OBGenericData type object, which should be cast to OBChiralData in order
to work properly.
Would it be possible to add a conversion function to the bindings,
similarly to the toPairData() and toUnitCell() functions?

Best regards

	Beda

-- 
Bedrich Kosata
Laboratory of Informatics and Chemistry
ICT Prague
Czech Republic

Re: [OpenBabel-scripting] cast needed for OBChiralData in Python bindings

[Noel O'B. <bao...@gm...>]

Yes. Sorry about this. I'll add the casts for all types of data to all
of the bindings.

2008/10/15 Beda Kosata <Bed...@vs...>:
> Hello,
>
> I would like to use python bindings to opanbabel to access
> stereochemical information stored in OBChiralData.
> Unfortunately what I get from the atom by using GetData() is an
> OBGenericData type object, which should be cast to OBChiralData in order
> to work properly.
> Would it be possible to add a conversion function to the bindings,
> similarly to the toPairData() and toUnitCell() functions?
>
> Best regards
>
>        Beda
>
> --
> Bedrich Kosata
> Laboratory of Informatics and Chemistry
> ICT Prague
> Czech Republic
>
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