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Revisions №61327

branch: master 「№61327」
Commited by: Brahm Yachnin
GitHub commit link: 「a3330b83973c2189」 「№4787」
Difference from previous tested commit:  code diff
Commit date: 2020-07-07 09:48:27
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-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 mac.clang.static.build.release build.xcode beautification code_quality.clang_analysis code_quality.clang_tidy code_quality.cppcheck serialization code_quality.submodule_regression integration.mpi integration.release_debug integration.tensorflow integration.thread integration.tutorials integration maintenance.documentation performance profile linux.clang.python37.release.PyRosetta4.Debug linux.clang.python38.release.PyRosetta4.Debug linux.clang.python27.release.PyRosetta4.MinSizeRel linux.clang.python36.release.PyRosetta4.MinSizeRel ubuntu.clang.python37.release.PyRosetta4.MinSizeRel linux.clang.python27.release.PyRosetta4.Release linux.clang.python38.release.PyRosetta4.Release ubuntu.clang.python27.release.PyRosetta4.Release release.source scientific.antibody_grafting.debug scientific.antibody_grafting scientific.cofactor_binding_sites.debug scientific.dock_glycans.debug scientific.ligand_docking.debug scientific.loop_modeling_kic_fragments_12res.debug scientific.mp_f19_decoy_discrimination.debug scientific.mp_f19_energy_landscape.debug scientific.rna_denovo_favorites 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 unit.ubsan gcc-9.gcc.unit util.apps

Merge pull request #4787 from RosettaCommons/BYachnin/bonusmap_for_ResidueTypeLinkingConstraint Allow more complex behaviour with ResidueTypeLinkingConstraints This class previously applied a bonus/penalty to scoring if two residues were the same identity. Reviewing the code, it looks like the intention was to expand this to allow for alternative pairing options, but this was never implemented. There were constructors that appeared to be unused and untested in the code base that had behaviour that didn't seem to be working. We've updated this class to allow apply a custom bonus/penalty applied for any of the 400 possible residue pairs. A fully customized option is obtained by passing a std::map. The "legacy" behaviour is maintained by constructing this map based on user-supplied options. All existing tests pass, and new unit tests have been added to test the new (and previously untested) functionality. Getters and setters have also been added to improve PyRosetta interface. Thanks to @roccomoretti for the review!

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Test: mac.clang.python27.build.xcode

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Test: linux.clang.integration.release_debug_no_symbols

Failed sub-tests (click for more details):
rnp_ddg_finalize
Test: linux.clang.integration.tutorials

Failed sub-tests (click for more details):
Symmetry
Test: mac.clang.integration

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database_md5
Test: linux.clang.performance

Failed sub-tests (click for more details):
core_scoring_Score_1x_pack_stat
Test: mac.clang.scientific.antibody_grafting.debug

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Test: mac.clang.scientific.antibody_grafting

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Test: linux.clang.scientific.dock_glycans.debug

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Test: linux.clang.scientific.ligand_docking.debug

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