Merge pull request #2438 from RosettaCommons/roccomoretti/release_mode_fix
Address release system issues
* Remove Werror from the releases
* Make release mode default in releases
* Add path searching as default in site.settings
* Remove pilot directories more broadly.
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Merge pull request #2425 from RosettaCommons/roccomoretti/test_fixes
Some fixes to uninitialized variables found by the best-effort tests (valgrind, addsan, ubsan).
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Merge pull request #2424 from RosettaCommons/rhiju/new_scorefxn_tags
new best stepwise scorefunction: rna_res_level_energy7beta
• only tests that change appear cosmetic (due to new hbondoption; or to small differences in JD3 to legacy stepwise job distributor)
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Merge pull request #2458 from RosettaCommons/jklai/hydrate
Fixing remaining failed tests for the Hydrate/SPaDES application. PR #2418 broke multiple tests, which were subsequently fixed with commit 5441c8635ed5f646 and some changes by Andy Watkins. The changes in this PR fixes the remaining two failed integration tests: "thread_local_tracers_check" and "app_exception_handling," which were identified by the test server and in a comment by Rocco Moretti.
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Merge pull request #2452 from RosettaCommons/bcov/XmlObjects
XmlObjects: Importing your xml scripts into C++/PyRosetta
Ever since I moved to PyRosetta/C++ from RosettaScripts, I've had a desire to import my RosettaScript into xml and use the components. Well now it's possible!
Consider the following code snippets:
objs = protocols.rosetta_scripts.XmlObjects.create_from_file("script.xml")
my_fully_configured_mover = objs.get_mover("best_mover")
my_fully_configured_mover.apply(pose)
the_wholel_xml_protocol = objs.get_mover("ParsedProtocol")
objs = protocols.rosetta_scripts.XmlObjects.create_from_string("""
<RESIDUE_SELECTORS>
<Chain name="chainA" chains="A" />
<Neighborhood name="neighborhood" distance="7" selector="chainA" />
</RESIDUE_SELECTORS>
""")
neighborhood = objs.get_residue_selector("neighborhood")
neighborhood.set_distance(9)
neighborhood.apply(pose)
task_op = protocols.rosetta_scripts.XmlObjects.static_get_task_operation("<PreventRepacking />")
These all work which I think opens up all sorts of possibilities. If you've worked hard on an xml and you want to use its parts in PyRosetta, now you can! I can even see large xml libraries being prepared so that one can load pre-configured movers into PyRosetta.
If you want to use this in C++, you'll need to get cozy with std::dynamic_pointer_cast< >.
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Merge pull request #2435 from RosettaCommons/JWLabonte/sugars/docking
Carbohydrates: Moving dock_glycans.cc to public
This work is published, so it should be in public.
dock_glycans integration test changes expected.
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Andy Watkins 8 years True. Though, you could say the performance benchmark's attempt to use a scoreterm no one ever implemented did.
It'll be fixed in 10m once I check out
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