As part of the conversion to the cdk Atom class I noticed that the physical coordinate representation of atoms (in Angstroms) went from float -> double ... Point3f -> Point3d.
It really doesn't matter to me. And remember that I am not a chemist ... Q: What was the reasoning behind using doubles instead of floats? Is it the case that this level of precision (or range) is needed? Previously, there was a mixture of floats and doubles used in the implementation. I had been working my through eliminating all doubles from the implementation and converting everything to floats. Since the new Atom class uses double, I am getting ready to go through the transform/rendering code and convert it all to doubles. Q: I now that the answer is yes, but ... Please confirm that the Atom location will continue to be Point3d (double). Miguel ------------------------------------------------------- This sf.net email is sponsored by:ThinkGeek Welcome to geek heaven. http://thinkgeek.com/sf _______________________________________________ Jmol-developers mailing list [EMAIL PROTECTED] https://lists.sourceforge.net/lists/listinfo/jmol-developers
