On 08/09/2010 19:48, Bradley Worley wrote:
> hi all,
>
> i have a segment of C++ code that loads a "mol" file and tries to write
> two strings: an inchi string and an inchikey string. the inchi
> conversion works, but the inchikey WriteString() command that
> immediately follows gives the inchi string, not the inchikey. (yes, i'm
> using SetOptions("K",conv.OUTOPTIONS)).
>
> am i missing something?
You need:
AddOption("K", conv.OUTOPTIONS);
SetOptions(const char* options, Option_type opttyp)is for setting
multiple single letter options.
The confusing naming of these functions has caused problems for other
people too.
Chris
------------------------------------------------------------------------------
This SF.net Dev2Dev email is sponsored by:
Show off your parallel programming skills.
Enter the Intel(R) Threading Challenge 2010.
http://p.sf.net/sfu/intel-thread-sfd
_______________________________________________
OpenBabel-discuss mailing list
[email protected]
https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
