Looks like Geoff already committed some changes into svn. You guys rock.
Cheers, Chris. On Wed, Jun 30, 2010 at 9:14 AM, Tim Vandermeersch <tim.vandermeer...@gmail.com> wrote: > 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
