Re: [OpenBabel-scripting] OpenBabel::OBTypeTable

[Geoffrey H. <ge...@ge...>]

On Jun 30, 2006, at 2:45 PM, S Joshua Swamidass wrote:

> So here is an interactive session which displays the unusability of
> OBTypeTable: I think the problem lyes in the Translate method.

That might not be a bad idea, but the current code works just fine.  
If you're looking for examples, you should take a look at the various  
file format translators, e.g., src/format/tinkerformat.cpp.

In general, the current code doesn't use exceptions. Historically, it  
hasn't always been well supported by

>>>> ttab.Translate('1','1')
> ==============================
> *** Open Babel Warning  in Translate
>   Cannot perform atom type translation: table cannot find requested  
> types.
> False

Yes, but "1" isn't a valid INT atom type. (Check data/types.txt if  
you're curious) I'm also not sure what Python thinks about returning  
something into the constant string '1'.

How about:
ttab.Translate(dest, "C3")

I bet that works. Check dest for the output.

-Geoff