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Re: [IMP-dev] NBL cleanup and other small patches

(this is independent of anything else).

Wouldn't compile for me:
kernel/include/IMP/restraints/SingletonListRestraint.h:41: error: no
members matching 'using IMP::Restraint::set_particles' in 'class
IMP::Restraint'

I guess I skipped macros.h. Silly submit system :-)

Here you go.

Attachment: set_lcnames
Description: Binary data




As regards the nonbonded list, we cannot include CGAL in the kernel
since it restricts the use of IMP to that of the QPL license. I
certainly agree that CGAL has some useful features which we may want to 
use in IMP - but it cannot go in the kernel. Thus, it should go in an
extension module. This appears to preclude use of the current patch,
since Algorithm is an enum - I guess either Algorithm needs to become a 
class, or a CGAL_NBL class (in a module) can derive from a base NBL
class (in the kernel). At the Python level it is easy to fall back from 
CGAL_NBL to regular NBL at runtime if the extension module is not
available - just wrap the import in a try block.

	Ben
--
ben@salilab.org                      http://salilab.org/~ben/
"It is a capital mistake to theorize before one has data."
	- Sir Arthur Conan Doyle
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