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Revisions №61251

branch: master 「№61251」
Commited by: Vikram K. Mulligan
GitHub commit link: 「a618f907ae919c70」 「№4624」
Difference from previous tested commit:  code diff
Commit date: 2020-04-25 14:49:01
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 build.cppcheck alpine.gcc.build.debug gcc-9.gcc.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 build.xcode beautification code_quality.clang_analysis code_quality.clang_tidy serialization code_quality.submodule_regression integration.mpi integration.release_debug integration.tensorflow integration.thread integration performance profile release.source scientific.mp_f19_energy_landscape linux.clang.score linux.gcc.score mac.clang.score linux.scripts.pyrosetta scripts.rosetta.parse scripts.rosetta.validate scripts.rosetta.verify linux.clang.unit.release linux.gcc.unit.release gcc-9.gcc.unit util.apps

Merge pull request #4624 from RosettaCommons/vmullig/threadsafe_approximate_buried_unsat_penalty Make the ApproximateBuriedUnsatPenalty threadsafe The ApproximateBuriedUnsatPenalty caches `symm_vs_self_asu_resnum1_`, `symm_vs_self_asu_resnum2_`, and `symm_vs_self_rotamer_count_` inside of itself for computing pairwise interactions in the context of a symmetric IG. This prevents threadsafe calculation, and is also generally unsafe: it means that the scoreterm accumulates state on repeated calls to `ApproximateBuriedUnsatPenalty::evaluate_rotamer_pair_energies()`, and assumes that the function calls from external code will proceed in a particular order. This PR has refactored this, which allows the `approximate_buried_unsat_penalty` scoreterm to be used with multi-threaded interaction graph precomputation.