Merge pull request #2576 from RosettaCommons/Cyrus/mergetarget
Cyrus/mergetarget
From Steven Lewis:
* minor tweaks to unit test code template
* interface tweaks to CoupledMovesProtocol - allow setting of scorefunction/taskfactory externally. Note that the ctor of CoupledMovesProtocol does custom setup on the scorefunction, presumably to support the angle dependencies of Backrub. This was refactored into a standalone configure function. parse_my_tag is routed through this to address https://github.com/RosettaCommons/main/issues/2455 @anumazam
* FillAUTOTaskOperation. CoupledMovesProtocol uses ClashBasedRepackShellSelector to automatically select what residues should repack; the functionality only works when using a resfile with the AUTO command. The TaskOperation allows you to activate this without an actual resfile by filling in the AUTO command’s effect. (This is the most conservative way to fix this problem, as requested by others interested in this code; in lieu of https://github.com/RosettaCommons/main/issues/2434). Note a change to line 247 of CoupledMovesProtocol (sorry, no link, I presume it would break) to support this. Unit test for FillAUTOTO.
* bugfix for https://github.com/RosettaCommons/main/issues/2494. Unit test for LoopAnalyzerMover to prevent recurrence. I had to change the reference values in the unit tests after updating from master; I think they were affected by https://github.com/RosettaCommons/main/pull/2309 (the NYC hackathon). Discovered an insufficiency in Loops:verify_against in writing the utest; improved its range of problem detection.
Test implications:
unit tests: two new ones
integration tests:
expected changes due to LoopAnalyzerMover (gains extra output)
FAIL LoopAnalyzer
FAIL AnchoredDesign
FAIL AnchoredPDBCreator
FAIL loop_creation
These need to be watched on the test server but probably won’t change:
failing in on my test machine due to some weird binary file; probably spurious:
FAIL backrub_interface_ddG
FAIL InterfaceDdG
FAIL cluster_calibur
fails on my test machine because of its git dependency:
FAIL code_template_tests_unit
FAIL code_template_tests_app
FAIL code_template_tests_src