On 07/03/2013 10:53 AM, Geoffrey Hutchison wrote:
>> After a quick search on the web, I see no bindings for OCaml, right?
>
> No, not yet.
>
>> I may start one, because there is no way I go for C++. ;)
>
> Well, I'd start with Python or Ruby SWIG bindings and go from there.
Good idea, that would b
> After a quick search on the web, I see no bindings for OCaml, right?
No, not yet.
> I may start one, because there is no way I go for C++. ;)
Well, I'd start with Python or Ruby SWIG bindings and go from there. See
scripts/openbabel-python.i. I know that SWIG supports OCaml generation, but
t
Hello,
After a quick search on the web, I see no bindings for OCaml, right?
I may start one, because there is no way I go for C++. ;)
Regards,
Francois.
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Francois,
Take a look at the OBElementTable class. There is a global static
instantiation of it (named 'etab') available through the mol.h header,
see the example code on
http://openbabel.org/api/2.3/classOpenBabel_1_1OBElementTable.shtml.
The simple program:
#include
#include
int main(int, c