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Revisions №61759

branch: master 「№61759」
Commited by: Steven Lewis
GitHub commit link: 「4d5a9693c0319517」 「№5607」
Difference from previous tested commit:  code diff
Commit date: 2021-09-22 20:45:44
linux.clang linux.gcc linux.srlz mac.clang
debug
release
unit
PyRosetta4.notebook gcc-9.gcc.python37.PyRosetta4.unit linux.clang.cxx11thread.serialization.python37.PyRosetta4.unit linux.gcc.python36.PyRosetta4.unit mac.PyRosetta.unit build.clean.debug alpine.gcc.build.debug clang-10.clang.cxx11thread.mpi.serialization.tensorflow.build.debug gcc-10.gcc.build.debug gcc-11.gcc.python39.build.debug gcc-9.gcc.build.debug linux.clang.hdf5.build.debug mysql postgres linux.clang.python36.build.debug linux.zeromq.debug mpi mpi.serialization linux.icc.build.debug OpenCL mac.clang.python36.build.debug build.header build.levels build.ninja_debug graphics static mac.clang.static.build.release beautification code_quality.clang_analysis code_quality.clang_tidy code_quality.cppcheck code_quality.merge_size serialization code_quality.submodule_regression integration.mpi integration.release_debug integration.tensorflow integration.thread integration.tutorials integration.ubsan integration maintenance.documentation performance profile linux.clang.python36.release.PyRosetta4.Debug linux.clang.python37.release.PyRosetta4.Debug linux.clang.python27.release.PyRosetta4.MinSizeRel linux.clang.python37.release.PyRosetta4.MinSizeRel linux.clang.python38.release.PyRosetta4.MinSizeRel linux.clang.python39.release.PyRosetta4.MinSizeRel ubuntu.clang.python27.release.PyRosetta4.MinSizeRel ubuntu.clang.python36.release.PyRosetta4.MinSizeRel ubuntu.clang.python38.release.PyRosetta4.MinSizeRel ubuntu.clang.python39.release.PyRosetta4.MinSizeRel linux.clang.python27.release.PyRosetta4.Release linux.clang.python37.release.PyRosetta4.Release linux.clang.python38.release.PyRosetta4.Release linux.clang.python39.release.PyRosetta4.Release ubuntu.clang.python27.release.PyRosetta4.Release ubuntu.clang.python36.release.PyRosetta4.Release ubuntu.clang.python37.release.PyRosetta4.Release ubuntu.clang.python39.release.PyRosetta4.Release release.PyRosetta4.conda.Release release.source scientific.RosettaCM.debug scientific.glycan_structure_prediction.debug scientific.loop_modeling_ccd_12res.debug scientific.loop_modeling_kic_fragments_12res scientific.loop_modeling_ngk_12res scientific.mp_domain_assembly.debug scientific.mp_f19_ddG_of_mutation.debug scientific.mp_f19_decoy_discrimination scientific.mp_lipid_acc scientific.protein_data_bank_diagnostic.cif scientific.protein_data_bank_diagnostic.full linux.clang.score linux.gcc.score mac.clang.score linux.scripts.pyrosetta scripts.rosetta.parse scripts.rosetta.validate scripts.rosetta.verify unit.addsan linux.clang.unit.release linux.gcc.unit.release mac.clang.unit.release unit.ubsan gcc-10.gcc.unit gcc-11.gcc.python39.unit gcc-9.gcc.unit util.apps windows.build.debug windows.build.release

Merge pull request #5607 from CyrusBiotechnology/forcommons/hybridize_fix_disulf HybridizeProtocol: expose disulf_file_ internal HybridizeProtocol has two constructors. The default constructor assumes data will come in via XML, and DOES check the value of the fix_disulf flag, storing it into an internal string disulf_file_ for later use. The argumented constructor sets class internals via either the arguments or hardcoded defaults and does NOT check the options system - in fact the code is there, commented out. Cyrus was bitten by this difference. In our fork I am unifying their behavior, but I am uninterested in taking responsibility for making that type of default change globally. (If it were to be properly fixed, HybridizeProtocol should just use a different flag entirely for the purpose; as it is the C++ code in HybridizeProtocol does writing TO the option system to disable this flag during template read-in, because the flag is active at PDB read in time and causes templates to be misread when present...it's, uh, highly nonstandard). Here I expose disulf_file_ via a standard getter/setter and offer a unit tests that checks A) getting and setting work, and B) that the current constructor behaviors are maintained. I'm fine if RosettaCommons chooses to change the constructor behaviors to match each other in a subsequent PR (I will be doing so in our fork). I fixed the const & ness of the argumented ctor as a side effect; it made writing the unit test simpler because you can't pass a const string to a nonconst ref argument. TY sergey for kicking windows tests and Rocco for prompt review

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Test: linux.clang.integration.tutorials

Failed sub-tests (click for more details):
Protein-Protein-Docking
Test: linux.clang.scientific.protein_data_bank_diagnostic.cif

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Test: linux.clang.scientific.protein_data_bank_diagnostic.full

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