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branch: rosetta:commits 「№20495」
Commited by: Ginsparg
GitHub Pull Request link: 「№59」
Merge: 「ec708a4c4」← 「dbc2c3253」  code diff
Scheduled at: 2024-09-20 13:35:36.485665
linux.clang linux.gcc linux.srlz mac.clang
debug
release
unit
linux.clang.cxx11thread.serialization.python37.PyRosetta.unit mac.clang.python38.PyRosetta.unit mpi mpi.serialization build.header build.levels build.ninja_debug graphics static beautification code_quality.cppcheck code_quality.merge_size serialization code_quality.submodule_regression integration.mpi integration.release_debug integration.tensorflow integration.thread integration.torch integration performance profile linux.clang.score linux.gcc.score mac.clang.score scripts.pyrosetta scripts.rosetta.parse scripts.rosetta.validate scripts.rosetta.verify util.apps windows.build.debug windows.build.release

Pull Request №59 RosettaCommons/rosetta/main ← RosettaCommons/rosetta/updated_ligand_discovery_search_code_ag_may_2024 Merge: ec708a4c40449ea419c8fcac0d507440400bf75f←dbc2c3253d708de4cc9caca102d04833b9439285 Updated Ligand Motifs Code ---------------- Merge commit message: I forgot to fix the function call

Rosetta Benchmark 7 months
Tests for this revision was automatically canceled because newer set of tests for pull-request №59 was submitted!
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branch: rosetta:commits 「№20494」
Commited by: Ginsparg
GitHub Pull Request link: 「№59」
Merge: 「ec708a4c4」← 「6f78ba39a」  code diff
Scheduled at: 2024-09-20 13:32:25.999087
linux.clang linux.gcc linux.srlz mac.clang
debug
release
unit
build.ninja_debug graphics static windows.build.debug windows.build.release

Pull Request №59 RosettaCommons/rosetta/main ← RosettaCommons/rosetta/updated_ligand_discovery_search_code_ag_may_2024 Merge: ec708a4c40449ea419c8fcac0d507440400bf75f←6f78ba39a5f1e32ee652dd96d5b096460aef9a6e Updated Ligand Motifs Code ---------------- Merge commit message: adjusting create_protein_representation_matrix_space_fill function to have working_position passed into it, since working_positino_ is now removed from being a class variable

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branch: rosetta:commits 「№20493」
Commited by: Ginsparg
GitHub Pull Request link: 「№59」
Merge: 「ec708a4c4」← 「06ce990d4」  code diff
Scheduled at: 2024-09-20 13:14:48.559162
linux.clang linux.gcc linux.srlz mac.clang
debug
release
unit
linux.clang.cxx11thread.serialization.python37.PyRosetta.unit mac.clang.python38.PyRosetta.unit mpi mpi.serialization build.header build.levels build.ninja_debug graphics static beautification code_quality.cppcheck code_quality.merge_size serialization code_quality.submodule_regression integration.mpi integration.release_debug integration.tensorflow integration.thread integration.torch integration performance profile linux.clang.score linux.gcc.score mac.clang.score scripts.pyrosetta scripts.rosetta.parse scripts.rosetta.validate scripts.rosetta.verify util.apps windows.build.debug windows.build.release

Pull Request №59 RosettaCommons/rosetta/main ← RosettaCommons/rosetta/updated_ligand_discovery_search_code_ag_may_2024 Merge: ec708a4c40449ea419c8fcac0d507440400bf75f←06ce990d437c6ff8a988a68d049ba45109a328c7 Updated Ligand Motifs Code ---------------- Merge commit message: Removing working_position_ class variable is it is now replaced by working_positions_ vector. Added additional support to working_positions_ by allowing to write with a single non-vector value as well as ability to append new values to end of vector (append vector or single value)

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branch: rosetta:commits 「№20492」
Commited by: Ginsparg
GitHub Pull Request link: 「№59」
Merge: 「ec708a4c4」← 「d2af695de」  code diff
Scheduled at: 2024-09-20 12:52:03.072024
linux.clang linux.gcc linux.srlz mac.clang
debug
release
unit
linux.clang.cxx11thread.serialization.python37.PyRosetta.unit mac.clang.python38.PyRosetta.unit mpi mpi.serialization build.header build.levels build.ninja_debug graphics static beautification code_quality.cppcheck code_quality.merge_size serialization code_quality.submodule_regression integration.mpi integration.release_debug integration.tensorflow integration.thread integration.torch integration performance profile linux.clang.score linux.gcc.score mac.clang.score scripts.pyrosetta scripts.rosetta.parse scripts.rosetta.validate scripts.rosetta.verify util.apps windows.build.debug windows.build.release

Pull Request №59 RosettaCommons/rosetta/main ← RosettaCommons/rosetta/updated_ligand_discovery_search_code_ag_may_2024 Merge: ec708a4c40449ea419c8fcac0d507440400bf75f←d2af695de06e5df30235cf0301b8f61d69bebec5 Updated Ligand Motifs Code ---------------- Merge commit message: adjusted another for loop and revered loop that used binding_pocket_dimensions vector as that may be a tricky fix

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branch: rosetta:commits 「№20491」
Commited by: Ginsparg
GitHub Pull Request link: 「№59」
Merge: 「ec708a4c4」← 「5dd8ff7d3」  code diff
Scheduled at: 2024-09-20 12:42:29.543744
linux.clang linux.gcc linux.srlz mac.clang
debug
release
unit
linux.clang.cxx11thread.serialization.python37.PyRosetta.unit mac.clang.python38.PyRosetta.unit mpi mpi.serialization build.header build.levels build.ninja_debug graphics static beautification code_quality.cppcheck code_quality.merge_size serialization code_quality.submodule_regression integration.mpi integration.release_debug integration.tensorflow integration.thread integration.torch integration performance profile linux.clang.score linux.gcc.score mac.clang.score scripts.pyrosetta scripts.rosetta.parse scripts.rosetta.validate scripts.rosetta.verify util.apps windows.build.debug windows.build.release

Pull Request №59 RosettaCommons/rosetta/main ← RosettaCommons/rosetta/updated_ligand_discovery_search_code_ag_may_2024 Merge: ec708a4c40449ea419c8fcac0d507440400bf75f←5dd8ff7d317ee1992b00014f35d28a9f29b12ce9 Updated Ligand Motifs Code ---------------- Merge commit message: converting some for loops that iterate over .size() indexing to beign range based. Making a checkpoint here to make sure I didn't break anything, and will convert more

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branch: rosetta:commits 「№20490」
Commited by: Ginsparg
GitHub Pull Request link: 「№59」
Merge: 「ec708a4c4」← 「c748cec9d」  code diff
Scheduled at: 2024-09-20 11:50:22.243404
linux.clang linux.gcc linux.srlz mac.clang
debug
release
unit
linux.clang.cxx11thread.serialization.python37.PyRosetta.unit mac.clang.python38.PyRosetta.unit mpi mpi.serialization build.header build.levels build.ninja_debug beautification code_quality.cppcheck code_quality.merge_size serialization code_quality.submodule_regression integration.mpi integration.release_debug integration.tensorflow integration.thread integration.torch integration performance profile linux.clang.score linux.gcc.score mac.clang.score scripts.pyrosetta scripts.rosetta.parse scripts.rosetta.validate scripts.rosetta.verify util.apps windows.build.debug windows.build.release

Pull Request №59 RosettaCommons/rosetta/main ← RosettaCommons/rosetta/updated_ligand_discovery_search_code_ag_may_2024 Merge: ec708a4c40449ea419c8fcac0d507440400bf75f←c748cec9d3781a8cb2c3d88c8c9f078360f9201e Updated Ligand Motifs Code ---------------- Merge commit message: changing working_positinos iteration loop to be range based instead of iterative by index

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Test: linux.gcc.code_quality.beautification

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branch: rosetta:commits 「№20489」
Commited by: Ginsparg
GitHub Pull Request link: 「№59」
Merge: 「ec708a4c4」← 「aa64dd542」  code diff
Scheduled at: 2024-09-20 11:42:22.334208
linux.clang linux.gcc linux.srlz mac.clang
debug
release
unit
linux.clang.cxx11thread.serialization.python37.PyRosetta.unit mac.clang.python38.PyRosetta.unit mpi mpi.serialization build.header build.levels build.ninja_debug beautification code_quality.cppcheck code_quality.merge_size serialization code_quality.submodule_regression integration.mpi integration.release_debug integration.tensorflow integration.thread integration.torch integration performance profile linux.clang.score linux.gcc.score mac.clang.score scripts.pyrosetta scripts.rosetta.parse scripts.rosetta.validate scripts.rosetta.verify util.apps windows.build.debug windows.build.release

Pull Request №59 RosettaCommons/rosetta/main ← RosettaCommons/rosetta/updated_ligand_discovery_search_code_ag_may_2024 Merge: ec708a4c40449ea419c8fcac0d507440400bf75f←aa64dd54254a6b2c0d5731aa4f2a2036760b2bda Updated Ligand Motifs Code ---------------- Merge commit message: fixing syntax for calling SpaceFillMatrix as return type in space_fill_analysis()

Rosetta Benchmark 7 months
Tests for this revision was automatically canceled because newer set of tests for pull-request №59 was submitted!
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Test: linux.clang.performance

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branch: rosetta:commits 「№20488」
Commited by: Ginsparg
GitHub Pull Request link: 「№59」
Merge: 「ec708a4c4」← 「832b19f11」  code diff
Scheduled at: 2024-09-20 11:33:28.186265
linux.clang linux.gcc linux.srlz mac.clang
debug
release
unit
linux.clang.cxx11thread.serialization.python37.PyRosetta.unit mac.clang.python38.PyRosetta.unit mpi mpi.serialization build.header build.levels build.ninja_debug beautification code_quality.cppcheck code_quality.merge_size serialization code_quality.submodule_regression integration.mpi integration.release_debug integration.tensorflow integration.thread integration.torch integration performance profile linux.clang.score linux.gcc.score mac.clang.score scripts.pyrosetta scripts.rosetta.parse scripts.rosetta.validate scripts.rosetta.verify util.apps windows.build.debug windows.build.release

Pull Request №59 RosettaCommons/rosetta/main ← RosettaCommons/rosetta/updated_ligand_discovery_search_code_ag_may_2024 Merge: ec708a4c40449ea419c8fcac0d507440400bf75f←832b19f11f6105111ad9b3a1204aceedb71b01b1 Updated Ligand Motifs Code ---------------- Merge commit message: using typedef to create simplified shorthand for space fill matrices and clash matrices. Made sure to change all instances of these matrix declarations to the new typedef types. Opting to not make a new class, as I am not sure how useful these will be beyond the scope of this script (especially space fill, due to specificities with int values)

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branch: rosetta:commits 「№20487」
Commited by: Ginsparg
GitHub Pull Request link: 「№59」
Merge: 「ec708a4c4」← 「b4bfc35bc」  code diff
Scheduled at: 2024-09-19 17:26:37.394588
linux.clang linux.gcc linux.srlz mac.clang
debug
release
unit
linux.clang.cxx11thread.serialization.python37.PyRosetta.unit mac.clang.python310.PyRosetta.unit mac.clang.python38.PyRosetta.unit mac.clang.python39.PyRosetta.unit mpi mpi.serialization build.header build.levels build.ninja_debug graphics static beautification ubuntu.clang.code_quality.cppcheck ubuntu.gcc.code_quality.cppcheck code_quality.merge_size serialization linux.clang.code_quality.submodule_regression linux.gcc.code_quality.submodule_regression integration.mpi integration.release_debug integration.tensorflow integration.thread integration.torch integration performance profile linux.clang.score linux.gcc.score mac.clang.score scripts.pyrosetta scripts.rosetta.parse scripts.rosetta.validate scripts.rosetta.verify util.apps windows.build.debug windows.build.release

Pull Request №59 RosettaCommons/rosetta/main ← RosettaCommons/rosetta/updated_ligand_discovery_search_code_ag_may_2024 Merge: ec708a4c40449ea419c8fcac0d507440400bf75f←b4bfc35bc689cdce6adf08aa8d61ccb5d38c494e Updated Ligand Motifs Code ---------------- Merge commit message: Cleaning up removed code from updating to use code_to_6bit

Rosetta Benchmark 7 months
Tests for this revision was automatically canceled because newer set of tests for pull-request №59 was submitted!
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branch: rosetta:commits 「№20486」
Commited by: Ginsparg
GitHub Pull Request link: 「№59」
Merge: 「ec708a4c4」← 「dfdd2ab06」  code diff
Scheduled at: 2024-09-18 16:20:28.461289
linux.clang linux.gcc linux.srlz mac.clang
debug
release
unit
linux.clang.cxx11thread.serialization.python37.PyRosetta.unit mac.clang.python38.PyRosetta.unit mpi mpi.serialization build.header build.levels build.ninja_debug beautification code_quality.cppcheck code_quality.merge_size serialization code_quality.submodule_regression integration.mpi integration.release_debug integration.tensorflow integration.thread integration.torch integration performance profile linux.clang.score linux.gcc.score mac.clang.score scripts.pyrosetta scripts.rosetta.parse scripts.rosetta.validate scripts.rosetta.verify util.apps windows.build.debug windows.build.release

Pull Request №59 RosettaCommons/rosetta/main ← RosettaCommons/rosetta/updated_ligand_discovery_search_code_ag_may_2024 Merge: ec708a4c40449ea419c8fcac0d507440400bf75f←dfdd2ab06cf5abb7de9f78241c6dc2493a0b08df Updated Ligand Motifs Code ---------------- Merge commit message: fixing type in cc file and removing commented code from hh file

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Test: linux.gcc.score

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branch: rosetta:commits 「№20485」
Commited by: Ginsparg
GitHub commit link: 「baee78082892d6cc」
Difference from previous tested commit:  code diff
Commit date: 2024-09-18 17:25:43
code_quality.beautify

removing old commented code that is not necessary to aid with cleanliness

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branch: rosetta:commits 「№20484」
Commited by: Ginsparg
GitHub Pull Request link: 「№59」
Merge: 「ec708a4c4」← 「baee78082」  code diff
Scheduled at: 2024-09-18 13:23:44.707722
linux.clang linux.gcc linux.srlz mac.clang
debug
release
unit
linux.clang.cxx11thread.serialization.python37.PyRosetta.unit mac.clang.python38.PyRosetta.unit mpi mpi.serialization build.header build.levels build.ninja_debug beautification code_quality.cppcheck code_quality.merge_size serialization code_quality.submodule_regression integration.mpi integration.release_debug integration.tensorflow integration.thread integration.torch integration performance profile linux.clang.score linux.gcc.score mac.clang.score scripts.pyrosetta scripts.rosetta.parse scripts.rosetta.validate scripts.rosetta.verify util.apps windows.build.debug windows.build.release

Pull Request №59 RosettaCommons/rosetta/main ← RosettaCommons/rosetta/updated_ligand_discovery_search_code_ag_may_2024 Merge: ec708a4c40449ea419c8fcac0d507440400bf75f←baee78082892d6cc8f6ff266e61096786611963a Updated Ligand Motifs Code ---------------- Merge commit message: removing old commented code that is not necessary to aid with cleanliness

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Test: linux.gcc.code_quality.beautification

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Test: ubuntu.gcc.code_quality.merge_size

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Test: linux.gcc.score

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Test: mac.clang.score

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branch: rosetta:commits 「№20483」
Commited by: Ginsparg
GitHub Pull Request link: 「№59」
Merge: 「ec708a4c4」← 「6af7da9eb」  code diff
Scheduled at: 2024-09-18 12:59:04.889643
linux.clang linux.gcc linux.srlz mac.clang
debug
release
unit
linux.clang.cxx11thread.serialization.python37.PyRosetta.unit mac.clang.python38.PyRosetta.unit mpi mpi.serialization build.header build.levels build.ninja_debug beautification code_quality.cppcheck code_quality.merge_size serialization code_quality.submodule_regression integration.mpi integration.release_debug integration.tensorflow integration.thread integration.torch integration performance profile linux.clang.score linux.gcc.score mac.clang.score scripts.pyrosetta scripts.rosetta.parse scripts.rosetta.validate scripts.rosetta.verify util.apps windows.build.debug windows.build.release

Pull Request №59 RosettaCommons/rosetta/main ← RosettaCommons/rosetta/updated_ligand_discovery_search_code_ag_may_2024 Merge: ec708a4c40449ea419c8fcac0d507440400bf75f←6af7da9eb0047b60a811c88ea0d5ae385ab2a37e Updated Ligand Motifs Code ---------------- Merge commit message: attempt to correct syntax for creating the clone of the poses (clone makes a poseOP, not a pose)

Rosetta Benchmark 7 months
Tests for this revision was automatically canceled because newer set of tests for pull-request №59 was submitted!
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Test: linux.gcc.code_quality.beautification

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Test: linux.gcc.score

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branch: rosetta:commits 「№20482」
Commited by: Ginsparg
GitHub Pull Request link: 「№59」
Merge: 「ec708a4c4」← 「733cf6007」  code diff
Scheduled at: 2024-09-18 12:51:24.491120
linux.clang linux.gcc linux.srlz mac.clang
debug
release
unit
linux.clang.cxx11thread.serialization.python37.PyRosetta.unit mac.clang.python38.PyRosetta.unit mpi mpi.serialization build.header build.levels build.ninja_debug beautification code_quality.cppcheck code_quality.merge_size serialization code_quality.submodule_regression integration.mpi integration.release_debug integration.tensorflow integration.thread integration.torch integration performance profile linux.clang.score linux.gcc.score mac.clang.score scripts.pyrosetta scripts.rosetta.parse scripts.rosetta.validate scripts.rosetta.verify util.apps windows.build.debug windows.build.release

Pull Request №59 RosettaCommons/rosetta/main ← RosettaCommons/rosetta/updated_ligand_discovery_search_code_ag_may_2024 Merge: ec708a4c40449ea419c8fcac0d507440400bf75f←733cf60074d6e290f5025f2246fd37ae642506ba Updated Ligand Motifs Code ---------------- Merge commit message: fixing usage of clone function to be called before making a pointer of the original pose

Rosetta Benchmark 7 months
Tests for this revision was automatically canceled because newer set of tests for pull-request №59 was submitted!
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branch: rosetta:commits 「№20481」
Commited by: Ginsparg
GitHub Pull Request link: 「№59」
Merge: 「ec708a4c4」← 「13858d401」  code diff
Scheduled at: 2024-09-18 12:34:27.642804
linux.clang linux.gcc linux.srlz mac.clang
debug
release
unit
linux.clang.cxx11thread.serialization.python37.PyRosetta.unit mac.clang.python38.PyRosetta.unit mpi mpi.serialization build.header build.levels build.ninja_debug beautification code_quality.cppcheck code_quality.merge_size serialization code_quality.submodule_regression integration.mpi integration.release_debug integration.tensorflow integration.thread integration.torch integration performance profile linux.clang.score linux.gcc.score mac.clang.score scripts.pyrosetta scripts.rosetta.parse scripts.rosetta.validate scripts.rosetta.verify util.apps windows.build.debug windows.build.release

Pull Request №59 RosettaCommons/rosetta/main ← RosettaCommons/rosetta/updated_ligand_discovery_search_code_ag_may_2024 Merge: ec708a4c40449ea419c8fcac0d507440400bf75f←13858d401d629409aef43e327d3916d74d285e7f Updated Ligand Motifs Code ---------------- Merge commit message: changed all pose copy instances to copy while using the clone function

Rosetta Benchmark 7 months
Tests for this revision was automatically canceled because newer set of tests for pull-request №59 was submitted!
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branch: rosetta:commits 「№20480」
Commited by: Ginsparg
GitHub Pull Request link: 「№59」
Merge: 「ec708a4c4」← 「6e45b39e0」  code diff
Scheduled at: 2024-09-18 12:17:19.541224
linux.clang linux.gcc linux.srlz mac.clang
debug
release
unit
linux.clang.cxx11thread.serialization.python37.PyRosetta.unit mac.clang.python38.PyRosetta.unit mpi mpi.serialization build.header build.levels build.ninja_debug beautification code_quality.cppcheck code_quality.merge_size serialization code_quality.submodule_regression integration.mpi integration.release_debug integration.tensorflow integration.thread integration.torch integration performance profile linux.clang.score linux.gcc.score mac.clang.score scripts.pyrosetta scripts.rosetta.parse scripts.rosetta.validate scripts.rosetta.verify util.apps windows.build.debug windows.build.release

Pull Request №59 RosettaCommons/rosetta/main ← RosettaCommons/rosetta/updated_ligand_discovery_search_code_ag_may_2024 Merge: ec708a4c40449ea419c8fcac0d507440400bf75f←6e45b39e062dea6cc598e1ae941d5863837d1047 Updated Ligand Motifs Code ---------------- Merge commit message: fixing inconsistent const between cc and hh files

Rosetta Benchmark 7 months
Tests for this revision was automatically canceled because newer set of tests for pull-request №59 was submitted!
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