Daniel Russel wrote: > You should read the emails on imp-dev occasionally :-)
Indeed.
> Anyway, that method should definitely not be made public as it isn't > guaranteed to do anything useful. For some of the restraints > (NonbondedRestraints) it returns nothing and for others, such as the > PairListRestraint it globs together lots of particles which aren't > actually interacting. > > The best solution is probably to add a new virtual method > get_interacting_pairs which returns a list of interacting particle > pairs (since I think that is what you want). Or something similar. It > would be quite easy to implement for existing restraints.
Agreed. I seem to recall that's what you suggested the last time Keren asked this question. I think I agreed that time around too. ;)
Keren, what is your use case? If it's not "get a list of interacting pairs" then we'll need to do something different.
Ben