Merge pull request #1176 from RosettaCommons/vmullig/genkic_tweaks2
Add a low-memory mode option to GenKIC
I modified GenKIC a while back to store full solution poses rather than just solution DoF vectors. This was to accommodate the pre-selection mover, which could modify the pose in complicated ways that would not be captured by just storing DoFs. However, this can create problems for users who want to do a lot of sampling: memory becomes an issue. This adds an option to restore the old behaviour.
Tasks:
-- Add the option.
-- Modify GeneralizedKIC::add_solution() to store either a vector of solution poses (default mode) or a vector of loop DoFs (low-memory mode).
-- Modify final selection to use either the vector of solution poses (default mode) or the vector of loop DoFs (low-memory mode).
-- Modify selection logic.
-- Add warning if low-memory mode is used with a preselection mover.
-- Debug.
-- Integration test.
-- Unit test.
-- Documentation.
-- Beauty.