Daniel Russel wrote:
First, I changed vector so that it is get_magnitude rather than just magnitude to be consistent with the rest of IMP. I also added operator* for the dot product and operator- (and difference for python) since that is pretty standard and added a method to XYZDecorator to get a vector for the current position.
Doesn't compile. But I fixed it for you. ;)There is also no need for a difference method. Python can override operators too (except for =, of course, since everything in Python is a reference). And we shouldn't be putting "only for Python" junk into the C++ API anyway - you can use %extend in the SWIG interface for that sort of thing. I'll fix this in a later patch.
I also intentionally did not put in operator* for dot product before (I do know what an overloaded operator is!), so that people wouldn't get confused and think it was cross product. But what do others think?
Third, I added a comment about the internal checks in nonbonded list test.
Was that comment intended for test_frido_spheres() ? That's the test case which seems to make no sense to me - not test_spheres2().
Ben -- ben@salilab.org http://salilab.org/~ben/ "It is a capital mistake to theorize before one has data." - Sir Arthur Conan Doyle