I suggest this interface, since it is better defined:
IMPATOMEXPORT Float rmsd(const XYZs& m1 ,const XYZs& m2);
On Thu, Jul 9, 2009 at 3:31 PM, Daniel Russeldrussel@gmail.com wrote: > 2009/7/9 Javier Ángel Velázquez Muriel javi@salilab.org: >> It does not matter. rmsd is going to give you a number no matter if the >> molecules are aligned or not. The thing is how you interpret the number, so >> discussing about alignment does not apply for implementation, only for >> interpretation. Correspondence does apply. If not addressed, fine with me :) > Sure. But for the API, all we really care about is interpretation :-) > I think the name had better make clear which interpretation is > correct. > _______________________________________________ > IMP-dev mailing list > IMP-dev@salilab.org > https://salilab.org/mailman/listinfo/imp-dev >