From 77d43f9e4f030aa9cd9318b46e655d011ddfdb63 Mon Sep 17 00:00:00 2001 From: CCranney <11773171+CCranney@users.noreply.github.com> Date: Tue, 28 Nov 2023 14:31:57 -0800 Subject: [PATCH 1/2] adjust prosit column names to exclude modifications (prosit limits) --- src/zodiaq/loaders/library/mappings.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/zodiaq/loaders/library/mappings.py b/src/zodiaq/loaders/library/mappings.py index e0f8329..cf00da6 100644 --- a/src/zodiaq/loaders/library/mappings.py +++ b/src/zodiaq/loaders/library/mappings.py @@ -39,7 +39,7 @@ oldColumnsProsit = [ "PrecursorMz", - "ModifiedPeptide", + "LabeledPeptide", "FragmentMz", "RelativeIntensity", "PrecursorCharge", From f01bdf5ee1017b362e37d9fa46bd4f2257d92d48 Mon Sep 17 00:00:00 2001 From: CCranney <11773171+CCranney@users.noreply.github.com> Date: Tue, 28 Nov 2023 14:43:50 -0800 Subject: [PATCH 2/2] fixed tests for prosit libraries --- .../loaders/library/test_LibraryLoaderStrategyTable.py | 10 +++++----- 1 file changed, 5 insertions(+), 5 deletions(-) diff --git a/tests/unit/loaders/library/test_LibraryLoaderStrategyTable.py b/tests/unit/loaders/library/test_LibraryLoaderStrategyTable.py index 18eccc7..353af98 100644 --- a/tests/unit/loaders/library/test_LibraryLoaderStrategyTable.py +++ b/tests/unit/loaders/library/test_LibraryLoaderStrategyTable.py @@ -508,7 +508,7 @@ def test__library_loader_strategy_table__load_raw_library_object_from_file__fail def test__library_loader_strategy_table__load_raw_library_object_from_file__fails_when_missing_required_columns__prosit_library__ModifiedPeptide( loader, prositLibFilePath ): - missingColumnValues = ["ModifiedPeptide"] + missingColumnValues = ["LabeledPeptide"] check_value_error_thrown_when_missing_columns( loader, prositLibFilePath, missingColumnValues ) @@ -556,7 +556,7 @@ def test__library_loader_strategy_table__format_raw_library_object_into_zodiaq_l loader._load_raw_library_object_from_file(prositLibFilePath) outputDict = loader._format_raw_library_object_into_zodiaq_library_dict() expectedOutputDict = { - (374.1867597566666, "_MMPAAALIM[Oxidation (O)]R_"): { + (374.1867597566666, "MMPAAALIMR"): { "precursorCharge": 3, "identification": "MMPAAALIMR", "proteinName": "noloss", @@ -601,7 +601,7 @@ def test__library_loader_strategy_table__format_raw_library_object_into_zodiaq_l ) outputDict = loader._format_raw_library_object_into_zodiaq_library_dict() expectedOutputDict = { - (254.3121828783333, "_MRALLLIPPPPM[Oxidation (O)]R_"): { + (254.3121828783333, "MRALLLIPPPPMR"): { "precursorCharge": 6, "identification": "MRALLLIPPPPMR", "proteinName": "noloss", @@ -632,7 +632,7 @@ def test__library_loader_strategy_table__format_raw_library_object_into_zodiaq_l ("y", 5, 1), ], }, - (374.1867597566666, "_MMPAAALIM[Oxidation (O)]R_"): { + (374.1867597566666, "MMPAAALIMR"): { "precursorCharge": 3, "identification": "MMPAAALIMR", "proteinName": "noloss", @@ -663,7 +663,7 @@ def test__library_loader_strategy_table__format_raw_library_object_into_zodiaq_l ("y", 6, 1), ], }, - (507.272473135, "_MLAPPPIM[Oxidation (O)]K_"): { + (507.272473135, "MLAPPPIMK"): { "precursorCharge": 2, "identification": "MLAPPPIMK", "proteinName": "noloss",