From 4e4ea3f510f74944ad9057480f8141fd163c1b9a Mon Sep 17 00:00:00 2001 From: WassimG Date: Thu, 10 Oct 2024 13:54:50 +0000 Subject: [PATCH] fix percolator tests --- tests/unit_tests/data/perc_input.csv | 18 +++++++++--------- tests/unit_tests/test_percolator.py | 2 +- 2 files changed, 10 insertions(+), 10 deletions(-) diff --git a/tests/unit_tests/data/perc_input.csv b/tests/unit_tests/data/perc_input.csv index 6d7bfe4..2e7e566 100644 --- a/tests/unit_tests/data/perc_input.csv +++ b/tests/unit_tests/data/perc_input.csv @@ -1,9 +1,9 @@ -,RAW_FILE,SCAN_NUMBER,MODIFIED_SEQUENCE,SEQUENCE,PRECURSOR_CHARGE,MASS,CALCULATED_MASS,SCORE,REVERSE,FRAGMENTATION,MASS_ANALYZER,SCAN_EVENT_NUMBER,RETENTION_TIME,PREDICTED_IRT,COLLISION_ENERGY -0,20210122_0263_TMUCLHan_Peiru_DDA_IP_C797S_02,7978,AAIGEATRL,AAIGEATRL,2,900.50345678,900.50288029264,60.43600000000001,False,HCD,FTMS,1,0.5000000183883155,0.5000000323590892,30.0 -1,20210122_0263_TMUCLHan_Peiru_DDA_IP_C797S_02,12304,AAVPRAAFL,AAVPRAAFL,2,914.53379,914.53379,34.006,True,HCD,FTMS,2,1.000000038995633,1.5000000246189773,30.0 -2,20210122_0263_TMUCLHan_Peiru_DDA_IP_C797S_02,12398,AAYFGVYDTAK,AAYFGVYDTAK,2,1204.5764,1204.5764,39.97399999999999,True,HCD,FTMS,3,1.5000000993570157,2.500000056694346,30.0 -3,20210122_0263_TMUCLHan_Peiru_DDA_IP_C797S_02,11716,AAYYHPSYL,AAYYHPSYL,2,1083.5025,1083.5025,99.919,False,HCD,FTMS,4,2.0000000098074193,3.5000000203256407,30.0 -4,20210122_0263_TMUCLHan_Peiru_DDA_IP_C797S_02,5174,AEDLNTRVA,AEDLNTRVA,2,987.49852,987.49852,87.802,False,HCD,FTMS,5,2.500000083793533,4.5000000747038005,30.0 -5,20210122_0263_TMUCLHan_Peiru_DDA_IP_C797S_02,5174,AEDLNTRVA,AEDLNTRVA,2,987.49852,987.49852,62.802,False,HCD,FTMS,6,3.0000000338727677,5.5000000960095505,30.0 -6,20210122_0263_TMUCLHan_Peiru_DDA_IP_C797S_02,5174,AEDLNTRVA,AEDLNTRVA,2,987.49852,987.49852,79.802,False,HCD,FTMS,7,3.500000001673834,6.5000000134594345,30.0 -7,20210122_0263_TMUCLHan_Peiru_DDA_IP_C797S_02,5174,AEDLNTRVA,AEDLNTRVA,2,987.49852,987.49852,79.802,False,HCD,FTMS,8,4.000000066050141,7.500000085284446,30.0 +,RAW_FILE,SCAN_NUMBER,MODIFIED_SEQUENCE,SEQUENCE,PRECURSOR_CHARGE,MASS,CALCULATED_MASS,SCORE,REVERSE,FRAGMENTATION,MASS_ANALYZER,SCAN_EVENT_NUMBER,RETENTION_TIME,PREDICTED_IRT,COLLISION_ENERGY,PROTEINS +0,20210122_0263_TMUCLHan_Peiru_DDA_IP_C797S_02,7978,AAIGEATRL,AAIGEATRL,2,900.5034568,900.5028803,60.436,FALSE,HCD,FTMS,1,0.500000018,0.500000032,30,sp|O23523|RGGA_ARATH +1,20210122_0263_TMUCLHan_Peiru_DDA_IP_C797S_02,12304,AAVPRAAFL,AAVPRAAFL,2,914.53379,914.53379,34.006,TRUE,HCD,FTMS,2,1.000000039,1.500000025,30,sp|O23523|RGGA_ARATH +2,20210122_0263_TMUCLHan_Peiru_DDA_IP_C797S_02,12398,AAYFGVYDTAK,AAYFGVYDTAK,2,1204.5764,1204.5764,39.974,TRUE,HCD,FTMS,3,1.500000099,2.500000057,30,sp|O23523|RGGA_ARATH +3,20210122_0263_TMUCLHan_Peiru_DDA_IP_C797S_02,11716,AAYYHPSYL,AAYYHPSYL,2,1083.5025,1083.5025,99.919,FALSE,HCD,FTMS,4,2.00000001,3.50000002,30,sp|O23523|RGGA_ARATH +4,20210122_0263_TMUCLHan_Peiru_DDA_IP_C797S_02,5174,AEDLNTRVA,AEDLNTRVA,2,987.49852,987.49852,87.802,FALSE,HCD,FTMS,5,2.500000084,4.500000075,30,sp|O23523|RGGA_ARATH +5,20210122_0263_TMUCLHan_Peiru_DDA_IP_C797S_02,5174,AEDLNTRVA,AEDLNTRVA,2,987.49852,987.49852,62.802,FALSE,HCD,FTMS,6,3.000000034,5.500000096,30,sp|O23523|RGGA_ARATH +6,20210122_0263_TMUCLHan_Peiru_DDA_IP_C797S_02,5174,AEDLNTRVA,AEDLNTRVA,2,987.49852,987.49852,79.802,FALSE,HCD,FTMS,7,3.500000002,6.500000013,30,sp|O23523|RGGA_ARATH +7,20210122_0263_TMUCLHan_Peiru_DDA_IP_C797S_02,5174,AEDLNTRVA,AEDLNTRVA,2,987.49852,987.49852,79.802,FALSE,HCD,FTMS,8,4.000000066,7.500000085,30,sp|O23523|RGGA_ARATH diff --git a/tests/unit_tests/test_percolator.py b/tests/unit_tests/test_percolator.py index 5e736f4..3651d21 100644 --- a/tests/unit_tests/test_percolator.py +++ b/tests/unit_tests/test_percolator.py @@ -395,7 +395,7 @@ def test_calc(self): # np.testing.assert_almost_equal(percolator.metrics_val['ExpMass'][0], 900.50345678) np.testing.assert_string_equal(percolator.metrics_val["Peptide"][0], "_.AAIGEATRL._") np.testing.assert_string_equal( - percolator.metrics_val["Proteins"][0], "AAIGEATRL" + percolator.metrics_val["Proteins"][0], "sp|O23523|RGGA_ARATH" ) # we don't need the protein ID to get PSM / peptide results # features