Merge pull request #4474 from RosettaCommons/vmullig/no_movemap_controlling_packing_in_fastrelax
Ensure more consistent default user interface for FastRelax
At some point, someone added something to FastRelax that disables packing at positions where the MoveMap prohibits sidechain minimization. This is counter-intuitive behaviour: normally, MoveMaps control minimization and task operations control packing. This is what we teach new users, and this is what experienced users expect, so it's an unexpected side-effect to disable minimization at a position and to find that that position is no longer packing. Worse, this is one-way behaviour: a user that sets up a task operation that prohibits packing at position 5 does not automatically disable sidechain minimization at position 5, but a user who disables sidechain minimization at position 5 _does_ prevent packing at position 5.
I'm disabling this behaviour unless the user opts _in_ by turning on a suitable commandline flag, RosettaScripts option, or C++ and Python-accessible option in the FastRelax object.
Tasks:
- [x] Add commandline flag to turn _on_ the old behaviour.
- [x] Add FastRelax setting to turn _on_ the old behaviour.
- [x] Setters and getters for C++ and Python.
- [x] Option accessible to `parse_my_tag()` and `provide_xml_schema()` for RosettaScripts.
- [x] Have the option enable the old behaviour, and disable it otherwise.
- [x] Beauty.
- [x] Check tests.
- [x] Update documentation.