Merge pull request #258 from RosettaCommons/vmullig/for_chris
Adding a pre_selection_filter option to the BundleGridSampler.
This adds one option to the BundleGridSampler (a pre-selection filter that filters out gridpoints that don't pass some criterion).
Tasks:
Add the filter option.
Add RosettaScripts support.
Have it do something in the apply() function.
Tweak the bundlegridsampler_design integration test to use a filter. (Changes to this integration test expected).
Update the documentation.
Incidental changes:
Tweaked my design_cycpeptide_MPI.cc app.
Expected test changes:
Only the bundlegridsampler_design integration test should change (a bit more logfile output, a few fewer pdb files written since some are filtered out by the new filter).
I didn't wait for the Windows PyRosetta build test, since it's very slow. I'll chance it -- there's no reason that this should cause that build to fail when the Mac and Linux PyRosetta builds are fine.