On Apr 26, 2008, at 1:28 PM, Ben Webb wrote:
Daniel Russel wrote:On Apr 26, 2008, at 10:56 AM, Ben Webb wrote:I don't think we can use CGAL. It is certainly available for Fedora, but we build on a lot of other platforms too.It is tested on quite a variety of platforms. More than IMP, but I have not checked if it is a superset or not.Indeed, but I think you missed my point: in order for us to test IMP with CGAL on all the platforms we build on, somebody (i.e. me) has to install CGAL on those platforms. I'm reluctant to do that unless we really need it. What do others think? Does anybody need CGAL for anything else? Requiring it just for a nonbonded list seems overkill.
CGAL might be very useful for various tasks such as grid manipulation, motion planning, dimensionality reduction and more. However, I really do not think it should be part of IMP kernel , which should provide basic functionality common to most tasks.
Two points:1. We should have definition of what goes or does not go into the kernel - I think that now pretty much everything is part of the kernel ( other the embed lib) 2. Daniel - can you please elaborate more on the algorithmic differences between your "improved implementation" and the CGAL one? I can not help wondering why a simple geometric hashing (~5 c++ classes) can not help here.