Merge pull request #969 from RosettaCommons/JWLabonte/sugars/input
Bug Fix: I was stupidly accessing map data before checking if they existed.
All unit tests pass.
carbohydrates integration test changes expected, because I had also added output of pdbs to the tests on this branch
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Merge pull request #965 from RosettaCommons/vmullig/tj_bundle_issue
Fixing a minor problem in MakeBundle, identified by TJ
TJ discovered that reading my documentation and following the instructions produces a cryptic failure. I'm fixing this.
- Adding a runtime_assert and error message if z1=0 to generate_atom_positions() in the helical bundle code.
- Updating documentation to make it clear that z1 and omega1 are not options that the user should normally set manually, unless he/she really knows what he/she is doing.
No unit or integration test changes expected.
@tjbrunette
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Merge pull request #936 from RosettaCommons/calebgeniesse/SubMotifInfo
Calebgeniesse/sub motif info
[only tests that fail are the ones that keep having numerical instabilities.]
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Merge pull request #950 from RosettaCommons/rhiju/farna_renovation
Rhiju/farna renovation
A few integration tests change -- all are traceable to small numerical instabilities in stepwise apps, which are compiled within the same library as the farna stuff (protocols.d_5).
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Merge pull request #949 from RosettaCommons/rfalford12/fix_multi_mem_bug
Rfalford12/fix multi mem bug
This pull request fixes a 'once feature now bug.' Initially, I wanted to prevent the user from incorporating multiple membrane residues due to ambiguity in tracking. Now, since a single MEM can be easily tracked and changed, it makes sense to allow multiple MEM residues.
This change revises IO case 2 (AddMembraneMover lines 544-605) which deals with multiple MEM residues detected in AddMembraneMover:
- Old Behavior: throw an exception as a result of multiple membrane residues
- New Behavior:
- If the user doesn't point to a MEM, accept the first MEM in sequence by default
- If the user does point to a MEM, accept that MEM
I also added two new unit tests to the AddMembraneMover test suite to cover these test cases
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