Quick addition: On Thu, Nov 10, 2011 at 10:32 AM, David Lonie <lonieda...@gmail.com> wrote: > The reason I ask is that I'm trying to limit an OBFF calculation with > OBForceField::AddInt[er,ra]Group[s], which takes the atom index, but > it's not clear to me whether this means the index, the idx, or the id.
>From reading forcefieldmmff94.cpp, it looks like the group bitvectors actually use the idx, not the index. But I'm still confused as to why index and idx are both included in the API. Dave ------------------------------------------------------------------------------ RSA(R) Conference 2012 Save $700 by Nov 18 Register now http://p.sf.net/sfu/rsa-sfdev2dev1 _______________________________________________ OpenBabel-Devel mailing list OpenBabel-Devel@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-devel
