On Wed, Jun 30, 2010 at 6:05 AM, Geoffrey Hutchison <ge...@geoffhutchison.net> wrote: >> I edited "src/forcefield.cpp", adding this line: >> rl.SetFixAtoms(_constraints.GetFixedBitVec()); > > Well, that's not quite kosher, since the constraints will return a temporary > variable, and SetFixAtoms wants a reference. It's easy to fix, though.
Yes, I'll commit a slightly modified version later today. Thanks for the suggestion, not sure why we haven't done this before. Tim >> Hopefully this is an appropriate place to post such modifications. > > The best place is openbabel-devel or the patch tracker, but we certainly > follow openbabel-general too. :-) > >> Let me know what you think. > > Thanks, it's good to get the right hand talking to the left hand (as far as > freezing atoms goes). > > Best regards, > -Geoff > ------------------------------------------------------------------------------ > This SF.net email is sponsored by Sprint > What will you do first with EVO, the first 4G phone? > Visit sprint.com/first -- http://p.sf.net/sfu/sprint-com-first > _______________________________________________ > OpenBabel-discuss mailing list > OpenBabel-discuss@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/openbabel-discuss > ------------------------------------------------------------------------------ This SF.net email is sponsored by Sprint What will you do first with EVO, the first 4G phone? Visit sprint.com/first -- http://p.sf.net/sfu/sprint-com-first _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
