Add checks and warnings for non-ideal minimization.
If you use non-ideal minimization (Cartesian minimization,
or flexible bondlengths and angles), you need to have a scorefunction
which is appropriately set up for it (e.g. cart_bonded on), otherwise
your protocol will collapse your structure.
This adds checks to the minimizers to validate that things are set up
appropriately. (Similar checks have already been added to rtmin and the
min_packer).
While such checks result in errors for rtmin, the min_packer, and the
CartesianMinimizer, for the (Sym)AtomTreeMinimizer they're only
warnings. The reason for this is that several protocols being
integration tested are currently using settings which trigger the state
checks.
As a bonus, more extensive output of the MoveMap settings via the show()
function were added.
Integration test changes expected due to warnings added for the
following protocols:
hybridization
rna_denovo
erraser_minimize
The following integration test changes due to the extra information
addeed to MoveMap::show()
rings