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Revisions №61785

branch: master 「№61785」
Commited by: Jared Adolf-Bryfogle
GitHub commit link: 「fafd8d441fbe5fbe」 「№5602」
Difference from previous tested commit:  code diff
Commit date: 2021-10-22 10:38:00
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.addsan integration.mpi integration.release_debug integration.tensorflow integration.thread integration.tutorials integration.ubsan integration.valgrind integration maintenance.documentation performance profile linux.clang.python27.release.PyRosetta4.Debug linux.clang.python36.release.PyRosetta4.Debug linux.clang.python37.release.PyRosetta4.Debug linux.clang.python38.release.PyRosetta4.Debug linux.clang.python39.release.PyRosetta4.Debug mac.clang.python27.release.PyRosetta4.Debug mac.clang.python36.release.PyRosetta4.Debug mac.clang.python37.release.PyRosetta4.Debug mac.clang.python38.release.PyRosetta4.Debug mac.clang.python39.release.PyRosetta4.Debug linux.clang.python27.release.PyRosetta4.MinSizeRel linux.clang.python36.release.PyRosetta4.MinSizeRel linux.clang.python37.release.PyRosetta4.MinSizeRel linux.clang.python38.release.PyRosetta4.MinSizeRel linux.clang.python39.release.PyRosetta4.MinSizeRel mac.clang.python27.release.PyRosetta4.MinSizeRel mac.clang.python36.release.PyRosetta4.MinSizeRel mac.clang.python37.release.PyRosetta4.MinSizeRel mac.clang.python38.release.PyRosetta4.MinSizeRel mac.clang.python39.release.PyRosetta4.MinSizeRel ubuntu.clang.python27.release.PyRosetta4.MinSizeRel ubuntu.clang.python36.release.PyRosetta4.MinSizeRel ubuntu.clang.python37.release.PyRosetta4.MinSizeRel ubuntu.clang.python38.release.PyRosetta4.MinSizeRel ubuntu.clang.python39.release.PyRosetta4.MinSizeRel linux.clang.python27.release.PyRosetta4.Release linux.clang.python36.release.PyRosetta4.Release linux.clang.python37.release.PyRosetta4.Release linux.clang.python38.release.PyRosetta4.Release linux.clang.python39.release.PyRosetta4.Release mac.clang.python27.release.PyRosetta4.Release mac.clang.python36.release.PyRosetta4.Release mac.clang.python37.release.PyRosetta4.Release mac.clang.python38.release.PyRosetta4.Release mac.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.python38.release.PyRosetta4.Release ubuntu.clang.python39.release.PyRosetta4.Release release.PyRosetta4.conda.Release release.source scientific.peptide_pnear_vs_ic50.debug scientific.peptide_pnear_vs_ic50 scientific.simple_cycpep_predict.debug scientific.simple_cycpep_predict 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 unit.valgrind gcc-10.gcc.unit gcc-11.gcc.python39.unit gcc-9.gcc.unit util.apps windows.build.debug windows.build.release

Merge pull request #5602 from RosettaCommons/jadolfbr/design_restrict Bug fixes, filter logic, disulfidize improvements, etc. # Bunch of stuff in this PR, listed below: - `NamedDihedralConstraint` bug fix - Bug fix and additions to `GlycanSequonSelector` - Bug fix for excluding germlines in RAbD - Added `sort_scorefxn` option to Disulfidize - actually sort them and not just give you random ones that were found. Added option to _actually_ _keep_ current disulfides. Fix a bug so that without this option, actual random ones are given using shuffle. Update docs. - Added `TrueFalseFilter` to enable control-flow of RosettaScripts using script_vars - which is true or false on-the-fly - Added `logic` option to `CompoundStatement` to use instead of subelements. Simplifies use. - Enable filter logic across RosettaScripts through the `find_filter_or_die` function. This is similar in nature to Selector logic across RosettaScripts. - Add `detect_disulfides` option to `DeleteRegionMover` which when false will not 'redetect and probably destroy' designed disulfides. - Add `logic` option to IfMover to allow more complex behavior: -- Parse logic as `if x : y else z` This corresponds to filter_name,true_mover_name,false_mover_name. Use null for do nothing. not is also accepted so - if not x : y else z -- Added control-flow directly within IfMover using a 'value' option that interprets a '0' or '1' as a TrueFilter or FalseFilter to allow script_vars control flow (awesome idea from @ajasja 's to save some declaration of the TrueFalseFilter.) - `SequenceMover` is now RosettaScriptable. `RandomMover` now has the option of repeats for each mover, allowing probabilistic repeats. - Add `dir` option to dumpPDB mover. Use the PDBInfo name if set to prefix the output PDB that is dumped - this enables it to be a lot more useful. - Add a few functions here and there that are tested and will be used in future PRs. # Tests An integration test covers parsable logic, rosetta-scripts parsable components, parsable control-flow.

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Test: linux.clang.integration.tutorials

Failed sub-tests (click for more details):
Protein-Protein-Docking
Test: mac.clang.python27.release.PyRosetta4.Debug

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Test: mac.clang.python39.release.PyRosetta4.Debug

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Test: mac.clang.python27.release.PyRosetta4.MinSizeRel

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Test: mac.clang.python36.release.PyRosetta4.MinSizeRel

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Test: mac.clang.python27.release.PyRosetta4.Release

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Test: mac.clang.python36.release.PyRosetta4.Release

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Test: mac.clang.python37.release.PyRosetta4.Release

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Test: mac.clang.python38.release.PyRosetta4.Release

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Test: mac.clang.python39.release.PyRosetta4.Release

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Test: linux.gcc.cxx11thread.mpi.serialization.scientific.peptide_pnear_vs_ic50.debug

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Test: linux.gcc.cxx11thread.mpi.serialization.scientific.peptide_pnear_vs_ic50

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Test: linux.gcc.cxx11thread.mpi.serialization.scientific.simple_cycpep_predict.debug

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Test: linux.gcc.cxx11thread.mpi.serialization.scientific.simple_cycpep_predict

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