diff --git a/tests/test_core.py b/tests/test_core.py index 885c32b23b2cfc07e46697f5258660b380d23be3..54542eaa17ee41be9bdb9b980e3570d0a21fca51 100644 --- a/tests/test_core.py +++ b/tests/test_core.py @@ -91,12 +91,12 @@ def test_output_results(capsys, tmp_path): assert out == outf.read() assert out == "Original_header,No_peptide,Enzyme,Cleaving_"\ "pos,Peptide_size,Peptide_mass,pI,Sequence\n"\ - "Input,0,fake_enzyme1,4,4,534.20742672,3.14,WQS"\ - "D\nInput,1,fake_enzyme1,7,3,349.112129335,3.04,"\ - "ESD\nInput,2,fake_enzyme1,12,5,495.196527685,3."\ - "14,FZQSD\nInput,3,fake_enzyme1,15,3,349.112129335"\ - ",3.04,ESD\nInput,4,fake_enzyme1,16,1,165."\ - "078978645,5.97,F\n" + "Input,0,fake_enzyme1,4,4,534.20743,3.14,WQS"\ + "D\nInput,1,fake_enzyme1,7,3,349.11213,3.04,"\ + "ESD\nInput,2,fake_enzyme1,12,5,495.19653,3."\ + "14,FZQSD\nInput,3,fake_enzyme1,15,3,349.112"\ + "13,3.04,ESD\nInput,4,fake_enzyme1,16,1,165."\ + "07898,5.97,F\n" # CSV output seq = "WQSDESDFZQSDESDF" @@ -115,12 +115,12 @@ def test_output_results(capsys, tmp_path): assert out == outf.read() assert out == "Original_header,No_peptide,Enzyme,Cleaving_"\ "pos,Peptide_size,Peptide_mass,pI,Sequence\n"\ - "Input,0,fake_enzyme1,4,4,534.526,3.14,WQS"\ - "D\nInput,1,fake_enzyme1,7,3,349.2976,3.04,"\ - "ESD\nInput,2,fake_enzyme1,12,5,495.4894,3."\ + "Input,0,fake_enzyme1,4,4,534.52598,3.14,WQS"\ + "D\nInput,1,fake_enzyme1,7,3,349.29758,3.04,"\ + "ESD\nInput,2,fake_enzyme1,12,5,495.48938,3."\ "14,FZQSD\nInput,3,fake_enzyme1,15,3,349.297"\ - "6,3.04,ESD\nInput,4,fake_enzyme1,16,1,165."\ - "1919,5.97,F\n" + "58,3.04,ESD\nInput,4,fake_enzyme1,16,1,165."\ + "19188,5.97,F\n" # TSV output output_file = tmp_path.joinpath("test_result.tsv") @@ -134,12 +134,12 @@ def test_output_results(capsys, tmp_path): assert out == "Original_header\tNo_peptide\tEnzyme\tCleavi"\ "ng_pos\tPeptide_size\tPeptide_mass\tpI\tSeq"\ "uence\nInput\t0\tfake_enzyme1\t4\t4\t534.52"\ - "6\t3.14\tWQSD\nInput\t1\tfake_enzyme1\t7"\ - "\t3\t349.2976\t3.04\tESD\nInput\t2\tfake_e"\ - "nzyme1\t12\t5\t495.4894\t3.14\tFZQSD\nInpu"\ - "t\t3\tfake_enzyme1\t15\t3\t349.2976\t3.04"\ + "598\t3.14\tWQSD\nInput\t1\tfake_enzyme1\t7"\ + "\t3\t349.29758\t3.04\tESD\nInput\t2\tfake_e"\ + "nzyme1\t12\t5\t495.48938\t3.14\tFZQSD\nInpu"\ + "t\t3\tfake_enzyme1\t15\t3\t349.29758\t3.04"\ "\tESD\nInput\t4\tfake_enzyme1\t16\t1\t165.1"\ - "919\t5.97\tF\n" + "9188\t5.97\tF\n" # Fasta output output_file = tmp_path.joinpath("test_result.fasta") @@ -150,12 +150,12 @@ def test_output_results(capsys, tmp_path): out, err = capsys.readouterr() with open(output_file, encoding="utf-8") as outf: assert out == outf.read() - assert out == ">Input_0_fake_enzyme1_4_4_534.526_3.14\nW"\ - "QSD\n>Input_1_fake_enzyme1_7_3_349.2976_3."\ + assert out == ">Input_0_fake_enzyme1_4_4_534.52598_3.14\nW"\ + "QSD\n>Input_1_fake_enzyme1_7_3_349.29758_3."\ "04\nESD\n>Input_2_fake_enzyme1_12_5_495.489"\ - "4_3.14\nFZQSD\n>Input_3_fake_enzyme1_15_3_"\ - "349.2976_3.04\nESD\n>Input_4_fake_enzyme1_"\ - "16_1_165.1919_5.97\nF\n" + "38_3.14\nFZQSD\n>Input_3_fake_enzyme1_15_3_"\ + "349.29758_3.04\nESD\n>Input_4_fake_enzyme1_"\ + "16_1_165.19188_5.97\nF\n" # CSV output in quiet seq = "WQSDESDFZQSDESDF" @@ -173,12 +173,12 @@ def test_output_results(capsys, tmp_path): with open(output_file, encoding="utf-8") as outf: assert outf.read() == "Original_header,No_peptide,Enzyme,Cleaving_"\ "pos,Peptide_size,Peptide_mass,pI,Sequence\n"\ - "Input,0,fake_enzyme1,4,4,534.526,3.14,WQS"\ - "D\nInput,1,fake_enzyme1,7,3,349.2976,3.04,"\ - "ESD\nInput,2,fake_enzyme1,12,5,495.4894,3."\ + "Input,0,fake_enzyme1,4,4,534.52598,3.14,WQS"\ + "D\nInput,1,fake_enzyme1,7,3,349.29758,3.04,"\ + "ESD\nInput,2,fake_enzyme1,12,5,495.48938,3."\ "14,FZQSD\nInput,3,fake_enzyme1,15,3,349.297"\ - "6,3.04,ESD\nInput,4,fake_enzyme1,16,1,165."\ - "1919,5.97,F\n" + "58,3.04,ESD\nInput,4,fake_enzyme1,16,1,165."\ + "19188,5.97,F\n" # CSV output in verbose > 2 seq = "WQSDESDFZQSDESDF" @@ -195,12 +195,12 @@ def test_output_results(capsys, tmp_path): content = outf.read() assert content == "Original_header,No_peptide,Enzyme,Cleaving_"\ "pos,Peptide_size,Peptide_mass,pI,Sequence\n"\ - "Input,0,fake_enzyme1,4,4,534.526,3.14,WQS"\ - "D\nInput,1,fake_enzyme1,7,3,349.2976,3.04,"\ - "ESD\nInput,2,fake_enzyme1,12,5,495.4894,3."\ + "Input,0,fake_enzyme1,4,4,534.52598,3.14,WQS"\ + "D\nInput,1,fake_enzyme1,7,3,349.29758,3.04,"\ + "ESD\nInput,2,fake_enzyme1,12,5,495.48938,3."\ "14,FZQSD\nInput,3,fake_enzyme1,15,3,349.297"\ - "6,3.04,ESD\nInput,4,fake_enzyme1,16,1,165."\ - "1919,5.97,F\n" + "58,3.04,ESD\nInput,4,fake_enzyme1,16,1,165."\ + "19188,5.97,F\n" # Verbose > 2 assert out == "\nNumber of cleavage: 4\nCleavage position: 4, 7, 12, 15\n"\ "Number of miscleavage: 0\nmiscleavage position: \nmis"\ @@ -221,12 +221,12 @@ def test_output_results(capsys, tmp_path): "al peptide: WQSD\nC terminal peptide: F\nOriginal_header,"\ "No_peptide,Enzyme,Cleaving_"\ "pos,Peptide_size,Peptide_mass,pI,Sequence\n"\ - "Input,0,fake_enzyme1,4,4,534.526,3.14,WQS"\ - "D\nInput,1,fake_enzyme1,7,3,349.2976,3.04,"\ - "ESD\nInput,2,fake_enzyme1,12,5,495.4894,3."\ + "Input,0,fake_enzyme1,4,4,534.52598,3.14,WQS"\ + "D\nInput,1,fake_enzyme1,7,3,349.29758,3.04,"\ + "ESD\nInput,2,fake_enzyme1,12,5,495.48938,3."\ "14,FZQSD\nInput,3,fake_enzyme1,15,3,349.297"\ - "6,3.04,ESD\nInput,4,fake_enzyme1,16,1,165."\ - "1919,5.97,F\n" + "58,3.04,ESD\nInput,4,fake_enzyme1,16,1,165."\ + "19188,5.97,F\n" # No output file et less verbose output_file = None @@ -238,12 +238,12 @@ def test_output_results(capsys, tmp_path): out, err = capsys.readouterr() assert out == "Original_header,No_peptide,Enzyme,Cleaving_"\ "pos,Peptide_size,Peptide_mass,pI,Sequence\n"\ - "Input,0,fake_enzyme1,4,4,534.526,3.14,WQS"\ - "D\nInput,1,fake_enzyme1,7,3,349.2976,3.04,"\ - "ESD\nInput,2,fake_enzyme1,12,5,495.4894,3."\ + "Input,0,fake_enzyme1,4,4,534.52598,3.14,WQS"\ + "D\nInput,1,fake_enzyme1,7,3,349.29758,3.04,"\ + "ESD\nInput,2,fake_enzyme1,12,5,495.48938,3."\ "14,FZQSD\nInput,3,fake_enzyme1,15,3,349.297"\ - "6,3.04,ESD\nInput,4,fake_enzyme1,16,1,165."\ - "1919,5.97,F\n" + "58,3.04,ESD\nInput,4,fake_enzyme1,16,1,165."\ + "19188,5.97,F\n" def test_peptide(): """Test class 'Peptide'""" @@ -258,7 +258,7 @@ def test_peptide(): print_res = pep0.__repr__() assert print_res == "Original header: Test\nNo. peptide: 1\nEnzyme: fake_"\ "enzyme\nCleav. pos: 3\nPep. size: 8\nPep. mass: 1012"\ - ".9849\npKa values from: IPC\nPep. pI: 2.91\nSequenc"\ + ".98488\npKa values from: IPC\nPep. pI: 2.91\nSequenc"\ "e: QWSDESDF\n" # Test function '__eq__()' @@ -279,12 +279,12 @@ def test_peptide(): # Test function '__format__()' format_res = pep0.__format__("csv") - assert format_res == "Test,1,fake_enzyme,3,8,1012.9849,2.91,QWSDESDF" + assert format_res == "Test,1,fake_enzyme,3,8,1012.98488,2.91,QWSDESDF" format_res = pep2.__format__("tsv") - assert format_res == "Test\t1\tfake_enzyme\t2\t8\t1012.9849\t2.91\tQWSD"\ + assert format_res == "Test\t1\tfake_enzyme\t2\t8\t1012.98488\t2.91\tQWSD"\ "ESDF" format_res = pep3.__format__("fasta") - assert format_res == ">Test_2_fake_enzyme_3_8_1012.9849_2.91\nQWSDESDF" + assert format_res == ">Test_2_fake_enzyme_3_8_1012.98488_2.91\nQWSDESDF" # Test function 'def get_isoelectric_point():' assert pep3.get_isoelectric_point() == 2.91 diff --git a/tests/test_digest.py b/tests/test_digest.py index 6caa3d5f6a1e8e2f5c1e99368bc4f2423679c75d..91ff52c9e06f4c981bc476f9d43d19c8e94807ab 100644 --- a/tests/test_digest.py +++ b/tests/test_digest.py @@ -29,12 +29,12 @@ def test_resultonedigestion(): "]\nRatio of miscleavage: 66.666666666666"\ "66\nPeptides: [Original header: Test\nNo. "\ "peptide: 0\nEnzyme: fake_enzyme\nCleav. po"\ - "s: 3\nPep. size: 8\nPep. mass: 1012.9849"\ + "s: 3\nPep. size: 8\nPep. mass: 1012.98488"\ "\npKa values from: IPC\nPep. pI: 2.91\nSeq"\ "uence: QWSDESDF\n, Original header: Test\n"\ "No. peptide: 1\nEnzyme: fake_enzyme\nCleav"\ ". pos: 4\nPep. size: 8\nPep. mass: 1012.98"\ - "49\npKa values from: IPC\nPep. pI: 2.91\n"\ + "488\npKa values from: IPC\nPep. pI: 2.91\n"\ "Sequence: QWSDESDF\n]\n" # Test function '__eq__()' @@ -59,15 +59,15 @@ def test_resultonedigestion(): # Test function '__format__()' format_res = res_dig0.__format__("csv") - assert format_res == "Test,0,fake_enzyme,3,8,1012.9849,2.91,QWSDESDF\nTe"\ - "st,1,fake_enzyme,4,8,1012.9849,2.91,QWSDESDF\n" + assert format_res == "Test,0,fake_enzyme,3,8,1012.98488,2.91,QWSDESDF\nTe"\ + "st,1,fake_enzyme,4,8,1012.98488,2.91,QWSDESDF\n" format_res = res_dig0.__format__("tsv") - assert format_res == "Test\t0\tfake_enzyme\t3\t8\t1012.9849\t2.91\tQWSDE"\ - "SDF\nTest\t1\tfake_enzyme\t4\t8\t1012.9849\t2.91\t"\ + assert format_res == "Test\t0\tfake_enzyme\t3\t8\t1012.98488\t2.91\tQWSDE"\ + "SDF\nTest\t1\tfake_enzyme\t4\t8\t1012.98488\t2.91\t"\ "QWSDESDF\n" format_res = res_dig0.__format__("fasta") - assert format_res == ">Test_0_fake_enzyme_3_8_1012.9849_2.91\nQWSDESDF\n"\ - ">Test_1_fake_enzyme_4_8_1012.9849_2.91\nQWSDESDF\n" + assert format_res == ">Test_0_fake_enzyme_3_8_1012.98488_2.91\nQWSDESDF\n"\ + ">Test_1_fake_enzyme_4_8_1012.98488_2.91\nQWSDESDF\n" # Test function 'pop_peptides()' assert res_dig5.peptides != [] @@ -374,24 +374,24 @@ def test_digest_from_input(capsys, tmp_path): "\nRatio of miscleavage: 0.0\nPeptides: "\ "[Original header: Input\nNo. peptide: 0"\ "\nEnzyme: fake_enzyme1\nCleav. pos: 4\nPe"\ - "p. size: 4\nPep. mass: 534.526\npKa val"\ + "p. size: 4\nPep. mass: 534.52598\npKa val"\ "ues from: IPC\nPep. pI: 3.14\nSequence: W"\ "QSD\n, Original header: Input\nNo. peptid"\ "e: 1\nEnzyme: fake_enzyme1\nCleav. pos: 7"\ - "\nPep. size: 3\nPep. mass: 349.2976\npKa"\ + "\nPep. size: 3\nPep. mass: 349.29758\npKa"\ " values from: IPC\nPep. pI: 3.04\nSequenc"\ "e: ESD\n, Original header: Input\nNo. pep"\ "tide: 2\nEnzyme: fake_enzyme1\nCleav. pos"\ - ": 12\nPep. size: 5\nPep. mass: 495.4894"\ + ": 12\nPep. size: 5\nPep. mass: 495.48938"\ "\npKa values from: IPC\nPep. pI: 3.14\nSe"\ "quence: FZQSD\n, Original header: Input\n"\ "No. peptide: 3\nEnzyme: fake_enzyme1\nCle"\ "av. pos: 15\nPep. size: 3\nPep. mass: 349"\ - ".2976\npKa values from: IPC\nPep. pI: 3."\ + ".29758\npKa values from: IPC\nPep. pI: 3."\ "04\nSequence: ESD\n, Original header: Inp"\ "ut\nNo. peptide: 4\nEnzyme: fake_enzyme1"\ "\nCleav. pos: 16\nPep. size: 1\nPep. mass"\ - ": 165.1919\npKa values from: IPC\nPep. p"\ + ": 165.19188\npKa values from: IPC\nPep. p"\ "I: 5.97\nSequence: F\n]\n" # Test wrong input data @@ -414,31 +414,31 @@ def test_digest_from_input(capsys, tmp_path): "\nRatio of miscleavage: 0.0\nPeptides: "\ "[Original header: Fake1\nNo. peptide: 0\n"\ "Enzyme: fake_enzyme1\nCleav. pos: 4\nPep."\ - " size: 4\nPep. mass: 534.526\npKa value"\ + " size: 4\nPep. mass: 534.52598\npKa value"\ "s from: IPC\nPep. pI: 3.14\nSequence: WQS"\ "D\n, Original header: Fake1\nNo. peptide:"\ " 1\nEnzyme: fake_enzyme1\nCleav. pos: 7\n"\ - "Pep. size: 3\nPep. mass: 349.2976\npKa v"\ + "Pep. size: 3\nPep. mass: 349.29758\npKa v"\ "alues from: IPC\nPep. pI: 3.04\nSequence:"\ " ESD\n, Original header: Fake1\nNo. pepti"\ "de: 2\nEnzyme: fake_enzyme1\nCleav. pos: "\ - "12\nPep. size: 5\nPep. mass: 495.4894\np"\ + "12\nPep. size: 5\nPep. mass: 495.48938\np"\ "Ka values from: IPC\nPep. pI: 3.14\nSeque"\ "nce: FZQSD\n, Original header: Fake1\nNo."\ " peptide: 3\nEnzyme: fake_enzyme1\nCleav."\ " pos: 15\nPep. size: 3\nPep. mass: 349.29"\ - "76\npKa values from: IPC\nPep. pI: 3.04"\ + "758\npKa values from: IPC\nPep. pI: 3.04"\ "\nSequence: ESD\n, Original header: Fake1"\ "\nNo. peptide: 4\nEnzyme: fake_enzyme1\nC"\ "leav. pos: 16\nPep. size: 1\nPep. mass: 1"\ - "65.1919\npKa values from: IPC\nPep. pI: "\ + "65.19188\npKa values from: IPC\nPep. pI: "\ "5.97\nSequence: F\n]\n" assert res[1][0].__repr__() == "Number of cleavage: 0\nNumber of miscleav"\ "age: 0\nPositions of miscleavage: []\nRat"\ "io of miscleavage: 0\nPeptides: [Original"\ " header: Fake2\nNo. peptide: 0\nEnzyme: f"\ "ake_enzyme1\nCleav. pos: 0\nPep. size: 15"\ - "\nPep. mass: 2014.351\npKa values from:"\ + "\nPep. mass: 2014.35098\npKa values from:"\ " IPC\nPep. pI: 7.16\nSequence: NPHARDORCO"\ "MPLET\n]\n" @@ -456,31 +456,31 @@ def test_digest_from_input(capsys, tmp_path): "\nRatio of miscleavage: 0.0\nPeptides: "\ "[Original header: Fake1\nNo. peptide: 0\n"\ "Enzyme: fake_enzyme1\nCleav. pos: 4\nPep."\ - " size: 4\nPep. mass: 534.526\npKa value"\ + " size: 4\nPep. mass: 534.52598\npKa value"\ "s from: IPC\nPep. pI: 3.14\nSequence: WQS"\ "D\n, Original header: Fake1\nNo. peptide:"\ " 1\nEnzyme: fake_enzyme1\nCleav. pos: 7\n"\ - "Pep. size: 3\nPep. mass: 349.2976\npKa v"\ + "Pep. size: 3\nPep. mass: 349.29758\npKa v"\ "alues from: IPC\nPep. pI: 3.04\nSequence:"\ " ESD\n, Original header: Fake1\nNo. pepti"\ "de: 2\nEnzyme: fake_enzyme1\nCleav. pos: "\ - "12\nPep. size: 5\nPep. mass: 495.4894\np"\ + "12\nPep. size: 5\nPep. mass: 495.48938\np"\ "Ka values from: IPC\nPep. pI: 3.14\nSeque"\ "nce: FZQSD\n, Original header: Fake1\nNo."\ " peptide: 3\nEnzyme: fake_enzyme1\nCleav."\ " pos: 15\nPep. size: 3\nPep. mass: 349.29"\ - "76\npKa values from: IPC\nPep. pI: 3.04"\ + "758\npKa values from: IPC\nPep. pI: 3.04"\ "\nSequence: ESD\n, Original header: Fake1"\ "\nNo. peptide: 4\nEnzyme: fake_enzyme1\nC"\ "leav. pos: 16\nPep. size: 1\nPep. mass: 1"\ - "65.1919\npKa values from: IPC\nPep. pI: "\ + "65.19188\npKa values from: IPC\nPep. pI: "\ "5.97\nSequence: F\n]\n") results_unsorted.append("Number of cleavage: 0\nNumber of miscle"\ "avage: 0\nPositions of miscleavage: []"\ "\nRatio of miscleavage: 0\nPeptides: [O"\ "riginal header: Fake2\nNo. peptide: 0\nEn"\ "zyme: fake_enzyme1\nCleav. pos: 0\nPep. s"\ - "ize: 15\nPep. mass: 2014.351\npKa value"\ + "ize: 15\nPep. mass: 2014.35098\npKa value"\ "s from: IPC\nPep. pI: 7.16\nSequence: NPH"\ "ARDORCOMPLET\n]\n") assert len(res) == 2 diff --git a/tests/test_functional.py b/tests/test_functional.py index d80a01d16ae8ef145d582ee1be52e5bf156783d7..9efbe2e8801cfb932953ada09545d92bc5d11e32 100644 --- a/tests/test_functional.py +++ b/tests/test_functional.py @@ -13,429 +13,429 @@ from rpg import rule @pytest.fixture def truth(): """ Solution """ - return [">A0A2C9KB11/1065-1162_0_Trypsin_2_2_289.2914_5.98\n", + return [">A0A2C9KB11/1065-1162_0_Trypsin_2_2_289.29138_5.98\n", "DR\n", - ">A0A2C9KB11/1065-1162_1_Trypsin_10_8_935.0013_4.29\n", + ">A0A2C9KB11/1065-1162_1_Trypsin_10_8_935.00128_4.29\n", "EALDSSWK\n", - ">A0A2C9KB11/1065-1162_2_Trypsin_11_1_146.1894_8.06\n", + ">A0A2C9KB11/1065-1162_2_Trypsin_11_1_146.18938_8.06\n", "K\n", - ">A0A2C9KB11/1065-1162_3_Trypsin_13_2_287.3622_9.71\n", + ">A0A2C9KB11/1065-1162_3_Trypsin_13_2_287.36218_9.71\n", "LR\n", - ">A0A2C9KB11/1065-1162_4_Trypsin_19_6_503.5155_9.71\n", + ">A0A2C9KB11/1065-1162_4_Trypsin_19_6_503.51548_9.71\n", "SGAGGR\n", - ">A0A2C9KB11/1065-1162_5_Trypsin_20_1_146.1894_8.06\n", + ">A0A2C9KB11/1065-1162_5_Trypsin_20_1_146.18938_8.06\n", "K\n", - ">A0A2C9KB11/1065-1162_6_Trypsin_25_5_529.5967_9.71\n", + ">A0A2C9KB11/1065-1162_6_Trypsin_25_5_529.59668_9.71\n", "NAGIR\n", - ">A0A2C9KB11/1065-1162_7_Trypsin_38_13_1623.9948_7.2\n", + ">A0A2C9KB11/1065-1162_7_Trypsin_38_13_1623.99478_7.2\n", "LVLWMLDHVPNMR\n", - ">A0A2C9KB11/1065-1162_8_Trypsin_42_4_535.6005_8.06\n", + ">A0A2C9KB11/1065-1162_8_Trypsin_42_4_535.60048_8.06\n", "NQFK\n", - ">A0A2C9KB11/1065-1162_9_Trypsin_43_1_146.1894_8.06\n", + ">A0A2C9KB11/1065-1162_9_Trypsin_43_1_146.18938_8.06\n", "K\n", - ">A0A2C9KB11/1065-1162_10_Trypsin_54_11_1297.4362_7.2\n", + ">A0A2C9KB11/1065-1162_10_Trypsin_54_11_1297.43618_7.2\n", "FAHQPDSVLQR\n", - ">A0A2C9KB11/1065-1162_11_Trypsin_64_10_1189.2903_3.89\n", + ">A0A2C9KB11/1065-1162_11_Trypsin_64_10_1189.29028_3.89\n", "DPEFLAQVDR\n", - ">A0A2C9KB11/1065-1162_12_Trypsin_88_24_2545.8469_3.63\n", + ">A0A2C9KB11/1065-1162_12_Trypsin_88_24_2545.84688_3.63\n", "ILGGVESMINNVDDPVALEAAFDR\n", - ">A0A2C9KB11/1065-1162_13_Trypsin_97_9_958.0973_5.22\n", + ">A0A2C9KB11/1065-1162_13_Trypsin_97_9_958.09728_5.22\n", "LADAHLSMT\n", - ">A0A2C9KB11/1221-1332_0_Trypsin_2_2_303.3183_6.23\n", + ">A0A2C9KB11/1221-1332_0_Trypsin_2_2_303.31828_6.23\n", "ER\n", - ">A0A2C9KB11/1221-1332_1_Trypsin_3_1_146.1894_8.06\n", + ">A0A2C9KB11/1221-1332_1_Trypsin_3_1_146.18938_8.06\n", "K\n", - ">A0A2C9KB11/1221-1332_2_Trypsin_6_3_330.4276_8.06\n", + ">A0A2C9KB11/1221-1332_2_Trypsin_6_3_330.42758_8.06\n", "ALK\n", - ">A0A2C9KB11/1221-1332_3_Trypsin_13_7_821.8852_5.87\n", + ">A0A2C9KB11/1221-1332_3_Trypsin_13_7_821.88518_5.87\n", "SSWDSLK\n", - ">A0A2C9KB11/1221-1332_4_Trypsin_38_25_2643.0307_6.23\n", + ">A0A2C9KB11/1221-1332_4_Trypsin_38_25_2643.03068_6.23\n", "SAAGGSQEAGVNLVLWMLQNVPNMR\n", - ">A0A2C9KB11/1221-1332_5_Trypsin_40_2_289.2914_5.98\n", + ">A0A2C9KB11/1221-1332_5_Trypsin_40_2_289.29138_5.98\n", "DR\n", - ">A0A2C9KB11/1221-1332_6_Trypsin_53_13_1463.5694_5.37\n", + ">A0A2C9KB11/1221-1332_6_Trypsin_53_13_1463.56938_5.37\n", "FTFNAHQGDDALK\n", - ">A0A2C9KB11/1221-1332_7_Trypsin_60_7_792.8871_4.29\n", + ">A0A2C9KB11/1221-1332_7_Trypsin_60_7_792.88708_4.29\n", "ADAEFIK\n", - ">A0A2C9KB11/1221-1332_8_Trypsin_64_4_529.5968_9.71\n", + ">A0A2C9KB11/1221-1332_8_Trypsin_64_4_529.59678_9.71\n", "QVQR\n", - ">A0A2C9KB11/1221-1332_9_Trypsin_81_17_1804.9896_3.89\n", + ">A0A2C9KB11/1221-1332_9_Trypsin_81_17_1804.98958_3.89\n", "ITGGLESMIDNLDNQGK\n", - ">A0A2C9KB11/1221-1332_10_Trypsin_88_7_785.8985_5.98\n", + ">A0A2C9KB11/1221-1332_10_Trypsin_88_7_785.89848_5.98\n", "LQAAIDR\n", - ">A0A2C9KB11/1221-1332_11_Trypsin_110_22_2524.9173_5.5\n", + ">A0A2C9KB11/1221-1332_11_Trypsin_110_22_2524.91728_5.5\n", "LVDAHLHMTPSVGLEYFEPLQK\n", - ">A0A2C9KB11/1221-1332_12_Trypsin_111_1_132.1191_5.46\n", + ">A0A2C9KB11/1221-1332_12_Trypsin_111_1_132.11908_5.46\n", "N\n", - ">A0A2C9KB11/1378-1486_0_Trypsin_2_2_289.2914_5.98\n", + ">A0A2C9KB11/1378-1486_0_Trypsin_2_2_289.29138_5.98\n", "DR\n", - ">A0A2C9KB11/1378-1486_1_Trypsin_3_1_146.1894_8.06\n", + ">A0A2C9KB11/1378-1486_1_Trypsin_3_1_146.18938_8.06\n", "K\n", - ">A0A2C9KB11/1378-1486_2_Trypsin_10_7_912.0099_6.12\n", + ">A0A2C9KB11/1378-1486_2_Trypsin_10_7_912.00988_6.12\n", "YIESSWK\n", - ">A0A2C9KB11/1378-1486_3_Trypsin_11_1_146.1894_8.06\n", + ">A0A2C9KB11/1378-1486_3_Trypsin_11_1_146.18938_8.06\n", "K\n", - ">A0A2C9KB11/1378-1486_4_Trypsin_21_10_947.9976_4.29\n", + ">A0A2C9KB11/1378-1486_4_Trypsin_21_10_947.99758_4.29\n", "LTDAAGGSEK\n", - ">A0A2C9KB11/1378-1486_5_Trypsin_38_17_1994.2983_5.98\n", + ">A0A2C9KB11/1378-1486_5_Trypsin_38_17_1994.29828_5.98\n", "AGTNFVFWLLDNVPNMR\n", - ">A0A2C9KB11/1378-1486_6_Trypsin_40_2_289.2914_5.98\n", + ">A0A2C9KB11/1378-1486_6_Trypsin_40_2_289.29138_5.98\n", "DR\n", - ">A0A2C9KB11/1378-1486_7_Trypsin_59_19_2255.3417_4.12\n", + ">A0A2C9KB11/1378-1486_7_Trypsin_59_19_2255.34168_4.12\n", "FTFNAHQSDAALQEDEEFR\n", - ">A0A2C9KB11/1378-1486_8_Trypsin_63_4_487.5565_8.06\n", + ">A0A2C9KB11/1378-1486_8_Trypsin_63_4_487.55648_8.06\n", "NQVK\n", - ">A0A2C9KB11/1378-1486_9_Trypsin_108_45_4677.2194_4.05\n", + ">A0A2C9KB11/1378-1486_9_Trypsin_108_45_4677.21938_4.05\n", "AITGGIESFVNNVNNPAALQSSIETLVDAHLNMQPSIGLSYFGSV\n", - ">A0A2C9KB11/1535-1643_0_Trypsin_2_2_289.2914_5.98\n", + ">A0A2C9KB11/1535-1643_0_Trypsin_2_2_289.29138_5.98\n", "DR\n", - ">A0A2C9KB11/1535-1643_1_Trypsin_3_1_174.2028_9.71\n", + ">A0A2C9KB11/1535-1643_1_Trypsin_3_1_174.20278_9.71\n", "R\n", - ">A0A2C9KB11/1535-1643_2_Trypsin_10_7_775.903_8.06\n", + ">A0A2C9KB11/1535-1643_2_Trypsin_10_7_775.90298_8.06\n", "AVVSSWK\n", - ">A0A2C9KB11/1535-1643_3_Trypsin_11_1_146.1894_8.06\n", + ">A0A2C9KB11/1535-1643_3_Trypsin_11_1_146.18938_8.06\n", "K\n", - ">A0A2C9KB11/1535-1643_4_Trypsin_17_6_603.6762_9.71\n", + ">A0A2C9KB11/1535-1643_4_Trypsin_17_6_603.67618_9.71\n", "LTASGR\n", - ">A0A2C9KB11/1535-1643_5_Trypsin_36_19_2281.6753_5.98\n", + ">A0A2C9KB11/1535-1643_5_Trypsin_36_19_2281.67528_5.98\n", "QSFGIDLVLWMFNNVPNMR\n", - ">A0A2C9KB11/1535-1643_6_Trypsin_44_8_985.0613_4.29\n", + ">A0A2C9KB11/1535-1643_6_Trypsin_44_8_985.06128_4.29\n", "EQFTFDAK\n", - ">A0A2C9KB11/1535-1643_7_Trypsin_51_7_803.8271_4.04\n", + ">A0A2C9KB11/1535-1643_7_Trypsin_51_7_803.82708_4.04\n", "QSDADLR\n", - ">A0A2C9KB11/1535-1643_8_Trypsin_52_1_174.2028_9.71\n", + ">A0A2C9KB11/1535-1643_8_Trypsin_52_1_174.20278_9.71\n", "R\n", - ">A0A2C9KB11/1535-1643_9_Trypsin_58_6_732.8345_5.87\n", + ">A0A2C9KB11/1535-1643_9_Trypsin_58_6_732.83448_5.87\n", "DPNFLK\n", - ">A0A2C9KB11/1535-1643_10_Trypsin_79_21_2158.3679_3.75\n", + ">A0A2C9KB11/1535-1643_10_Trypsin_79_21_2158.36788_3.75\n", "QVNSIVNGLGDMVDSVNDPGK\n", - ">A0A2C9KB11/1535-1643_11_Trypsin_86_7_842.9504_6.23\n", + ">A0A2C9KB11/1535-1643_11_Trypsin_86_7_842.95038_6.23\n", "LQANLER\n", - ">A0A2C9KB11/1535-1643_12_Trypsin_108_22_2521.9417_5.57\n", + ">A0A2C9KB11/1535-1643_12_Trypsin_108_22_2521.94168_5.57\n", "LSEIHLHFVPSVGPEFFVPLEK\n", - ">A0A2C9K1A5/128-239_0_Trypsin_3_3_374.4374_5.87\n", + ">A0A2C9K1A5/128-239_0_Trypsin_3_3_374.43738_5.87\n", "DIK\n", - ">A0A2C9K1A5/128-239_1_Trypsin_11_8_919.9896_5.87\n", + ">A0A2C9K1A5/128-239_1_Trypsin_11_8_919.98958_5.87\n", "ALDSSWNK\n", - ">A0A2C9K1A5/128-239_2_Trypsin_19_8_759.8173_5.98\n", + ">A0A2C9K1A5/128-239_2_Trypsin_19_8_759.81728_5.98\n", "LTAGADGR\n", - ">A0A2C9K1A5/128-239_3_Trypsin_37_18_2120.5152_9.71\n", + ">A0A2C9K1A5/128-239_3_Trypsin_37_18_2120.51518_9.71\n", "TTFGNNLVLWMLNVPNMR\n", - ">A0A2C9K1A5/128-239_4_Trypsin_39_2_303.3183_6.23\n", + ">A0A2C9K1A5/128-239_4_Trypsin_39_2_303.31828_6.23\n", "ER\n", - ">A0A2C9K1A5/128-239_5_Trypsin_42_3_392.4986_8.06\n", + ">A0A2C9K1A5/128-239_5_Trypsin_42_3_392.49858_8.06\n", "FVK\n", - ">A0A2C9K1A5/128-239_6_Trypsin_53_11_1259.3409_5.53\n", + ">A0A2C9K1A5/128-239_6_Trypsin_53_11_1259.34088_5.53\n", "FNAHQSDEALK\n", - ">A0A2C9K1A5/128-239_7_Trypsin_60_7_835.9121_4.29\n", + ">A0A2C9K1A5/128-239_7_Trypsin_60_7_835.91208_4.29\n", "NDAEFIK\n", - ">A0A2C9K1A5/128-239_8_Trypsin_63_3_373.4527_8.06\n", + ">A0A2C9K1A5/128-239_8_Trypsin_63_3_373.45268_8.06\n", "QVK\n", - ">A0A2C9K1A5/128-239_9_Trypsin_111_48_5318.1787_6.16\n", + ">A0A2C9K1A5/128-239_9_Trypsin_111_48_5318.17868_6.16\n", "LIVGGLQTLIINLNNPGQLQASIEHLADVHLHMKPSIGLEYFKPLQEN\n", - ">A0A2C9K1A5/285-395_0_Trypsin_2_2_261.278_5.87\n", + ">A0A2C9K1A5/285-395_0_Trypsin_2_2_261.27798_5.87\n", "DK\n", - ">A0A2C9K1A5/285-395_1_Trypsin_11_9_1034.1369_6.23\n", + ">A0A2C9K1A5/285-395_1_Trypsin_11_9_1034.13688_6.23\n", "VALESSWSR\n", - ">A0A2C9K1A5/285-395_2_Trypsin_19_8_758.8729_8.06\n", + ">A0A2C9K1A5/285-395_2_Trypsin_19_8_758.87288_8.06\n", "LTAGVNGK\n", - ">A0A2C9K1A5/285-395_3_Trypsin_20_1_174.2028_9.71\n", + ">A0A2C9K1A5/285-395_3_Trypsin_20_1_174.20278_9.71\n", "R\n", - ">A0A2C9K1A5/285-395_4_Trypsin_25_5_515.5699_9.71\n", + ">A0A2C9K1A5/285-395_4_Trypsin_25_5_515.56988_9.71\n", "NAGVR\n", - ">A0A2C9K1A5/285-395_5_Trypsin_37_12_1520.8709_5.98\n", + ">A0A2C9K1A5/285-395_5_Trypsin_37_12_1520.87088_5.98\n", "LVLWMFNVPDMR\n", - ">A0A2C9K1A5/285-395_6_Trypsin_39_2_303.3183_6.23\n", + ">A0A2C9K1A5/285-395_6_Trypsin_39_2_303.31828_6.23\n", "ER\n", - ">A0A2C9K1A5/285-395_7_Trypsin_42_3_422.4845_9.71\n", + ">A0A2C9K1A5/285-395_7_Trypsin_42_3_422.48448_9.71\n", "FTR\n", - ">A0A2C9K1A5/285-395_8_Trypsin_46_4_478.5486_8.06\n", + ">A0A2C9K1A5/285-395_8_Trypsin_46_4_478.54858_8.06\n", "FNAK\n", - ">A0A2C9K1A5/285-395_9_Trypsin_53_7_789.8406_4.29\n", + ">A0A2C9K1A5/285-395_9_Trypsin_53_7_789.84058_4.29\n", "QSDEALK\n", - ">A0A2C9K1A5/285-395_10_Trypsin_60_7_822.9134_4.29\n", + ">A0A2C9K1A5/285-395_10_Trypsin_60_7_822.91338_4.29\n", "TDAEFLK\n", - ">A0A2C9K1A5/285-395_11_Trypsin_85_25_2798.1452_3.68\n", + ">A0A2C9K1A5/285-395_11_Trypsin_85_25_2798.14518_3.68\n", "QVDVIIGGFETLINNLNDPTLLQDR\n", - ">A0A2C9K1A5/285-395_12_Trypsin_96_11_1225.3641_4.66\n", + ">A0A2C9K1A5/285-395_12_Trypsin_96_11_1225.36408_4.66\n", "LESLADAHLEK\n", - ">A0A2C9K1A5/285-395_13_Trypsin_110_14_1504.7924_8.32\n", + ">A0A2C9K1A5/285-395_13_Trypsin_110_14_1504.79238_8.32\n", "KPAIGVSYFGPLQK\n", - ">A0A2C9K1A5/588-698_0_Trypsin_2_2_261.278_5.87\n", + ">A0A2C9K1A5/588-698_0_Trypsin_2_2_261.27798_5.87\n", "DK\n", - ">A0A2C9K1A5/588-698_1_Trypsin_3_1_146.1894_8.06\n", + ">A0A2C9K1A5/588-698_1_Trypsin_3_1_146.18938_8.06\n", "K\n", - ">A0A2C9K1A5/588-698_2_Trypsin_25_22_2285.5012_8.06\n", + ">A0A2C9K1A5/588-698_2_Trypsin_25_22_2285.50118_8.06\n", "ALQSSWNTLVNQAGGQQNAGIK\n", - ">A0A2C9K1A5/588-698_3_Trypsin_37_12_1519.8861_9.71\n", + ">A0A2C9K1A5/588-698_3_Trypsin_37_12_1519.88608_9.71\n", "LVLWMFNVPNMR\n", - ">A0A2C9K1A5/588-698_4_Trypsin_39_2_289.2914_5.98\n", + ">A0A2C9K1A5/588-698_4_Trypsin_39_2_289.29138_5.98\n", "DR\n", - ">A0A2C9K1A5/588-698_5_Trypsin_42_3_380.4442_8.06\n", + ">A0A2C9K1A5/588-698_5_Trypsin_42_3_380.44418_8.06\n", "FSK\n", - ">A0A2C9K1A5/588-698_6_Trypsin_53_11_1204.2615_5.37\n", + ">A0A2C9K1A5/588-698_6_Trypsin_53_11_1204.26148_5.37\n", "FNAHSSDDALK\n", - ">A0A2C9K1A5/588-698_7_Trypsin_60_7_792.8871_4.29\n", + ">A0A2C9K1A5/588-698_7_Trypsin_60_7_792.88708_4.29\n", "ADAEFLK\n", - ">A0A2C9K1A5/588-698_8_Trypsin_81_21_2198.4148_3.68\n", + ">A0A2C9K1A5/588-698_8_Trypsin_81_21_2198.41478_3.68\n", "QVNVIVGGLESLVNNVDDADK\n", - ">A0A2C9K1A5/588-698_9_Trypsin_88_7_771.8717_6.23\n", + ">A0A2C9K1A5/588-698_9_Trypsin_88_7_771.87168_6.23\n", "LQAGVER\n", - ">A0A2C9K1A5/588-698_10_Trypsin_110_22_2438.7834_5.38\n", + ">A0A2C9K1A5/588-698_10_Trypsin_110_22_2438.78338_5.38\n", "LVDAHLHMSPSVGLEYFGPLQQ\n", - ">A0A2C9K1A5/745-855_0_Trypsin_2_2_289.2914_5.98\n", + ">A0A2C9K1A5/745-855_0_Trypsin_2_2_289.29138_5.98\n", "DR\n", - ">A0A2C9K1A5/745-855_1_Trypsin_3_1_146.1894_8.06\n", + ">A0A2C9K1A5/745-855_1_Trypsin_3_1_146.18938_8.06\n", "K\n", - ">A0A2C9K1A5/745-855_2_Trypsin_7_4_515.6103_6.23\n", + ">A0A2C9K1A5/745-855_2_Trypsin_7_4_515.61028_6.23\n", "VLER\n", - ">A0A2C9K1A5/745-855_3_Trypsin_19_12_1257.4116_8.06\n", + ">A0A2C9K1A5/745-855_3_Trypsin_19_12_1257.41158_8.06\n", "TWNQLISGPGGK\n", - ">A0A2C9K1A5/745-855_4_Trypsin_21_2_275.3049_6.13\n", + ">A0A2C9K1A5/745-855_4_Trypsin_21_2_275.30488_6.13\n", "EK\n", - ">A0A2C9K1A5/745-855_5_Trypsin_25_4_387.4795_8.06\n", + ">A0A2C9K1A5/745-855_5_Trypsin_25_4_387.47948_8.06\n", "AGIK\n", - ">A0A2C9K1A5/745-855_6_Trypsin_38_13_1649.0016_6.23\n", + ">A0A2C9K1A5/745-855_6_Trypsin_38_13_1649.00158_6.23\n", "LVLWMFENVPNMR\n", - ">A0A2C9K1A5/745-855_7_Trypsin_43_5_623.6635_5.87\n", + ">A0A2C9K1A5/745-855_7_Trypsin_43_5_623.66348_5.87\n", "DQFSK\n", - ">A0A2C9K1A5/745-855_8_Trypsin_48_5_616.6745_7.08\n", + ">A0A2C9K1A5/745-855_8_Trypsin_48_5_616.67448_7.08\n", "FDAHK\n", - ">A0A2C9K1A5/745-855_9_Trypsin_60_12_1349.5036_4.67\n", + ">A0A2C9K1A5/745-855_9_Trypsin_60_12_1349.50358_4.67\n", "SDEALSKPEFVK\n", - ">A0A2C9K1A5/745-855_10_Trypsin_96_36_3961.3599_4.38\n", + ">A0A2C9K1A5/745-855_10_Trypsin_96_36_3961.35988_4.38\n", "QVNNIFGGLESILNNLNKPGQLQSALENLADDHLDR\n", - ">A0A2C9K1A5/745-855_11_Trypsin_99_3_399.4936_9.93\n", + ">A0A2C9K1A5/745-855_11_Trypsin_99_3_399.49358_9.93\n", "KPR\n", - ">A0A2C9K1A5/745-855_12_Trypsin_110_11_1248.4875_6.13\n", + ">A0A2C9K1A5/745-855_12_Trypsin_110_11_1248.48748_6.13\n", "IGLEFFGPLQK\n", - ">A0A2C9K1A5/935-1004_0_Trypsin_10_10_1288.505_7.2\n", + ">A0A2C9K1A5/935-1004_0_Trypsin_10_10_1288.50498_7.2\n", "QMFEHVPNMR\n", - ">A0A2C9K1A5/935-1004_1_Trypsin_15_5_651.7173_6.13\n", + ">A0A2C9K1A5/935-1004_1_Trypsin_15_5_651.71728_6.13\n", "EQFTK\n", - ">A0A2C9K1A5/935-1004_2_Trypsin_26_11_1211.3427_7.08\n", + ">A0A2C9K1A5/935-1004_2_Trypsin_26_11_1211.34268_7.08\n", "FDAHQPNAALK\n", - ">A0A2C9K1A5/935-1004_3_Trypsin_37_11_1258.3995_6.23\n", + ">A0A2C9K1A5/935-1004_3_Trypsin_37_11_1258.39948_6.23\n", "QNPEFLAQVGR\n", - ">A0A2C9K1A5/935-1004_4_Trypsin_55_18_1881.1562_3.89\n", + ">A0A2C9K1A5/935-1004_4_Trypsin_55_18_1881.15618_3.89\n", "ILGGIESLLNNDDPVALK\n", - ">A0A2C9K1A5/935-1004_5_Trypsin_60_5_544.6084_5.98\n", + ">A0A2C9K1A5/935-1004_5_Trypsin_60_5_544.60838_5.98\n", "AAIDR\n", - ">A0A2C9K1A5/935-1004_6_Trypsin_69_9_944.0704_5.22\n", + ">A0A2C9K1A5/935-1004_6_Trypsin_69_9_944.07038_5.22\n", "LADAHLSMS\n"] @pytest.fixture def truth_ipc(): """ Solution """ - return [">A0A2C9KB11/1065-1162_0_Trypsin_2_2_289.2914_6.73\n", + return [">A0A2C9KB11/1065-1162_0_Trypsin_2_2_289.29138_6.73\n", "DR\n", - ">A0A2C9KB11/1065-1162_1_Trypsin_10_8_935.0013_4.12\n", + ">A0A2C9KB11/1065-1162_1_Trypsin_10_8_935.00128_4.12\n", "EALDSSWK\n", - ">A0A2C9KB11/1065-1162_2_Trypsin_11_1_146.1894_10.04\n", + ">A0A2C9KB11/1065-1162_2_Trypsin_11_1_146.18938_10.04\n", "K\n", - ">A0A2C9KB11/1065-1162_3_Trypsin_13_2_287.3622_11.04\n", + ">A0A2C9KB11/1065-1162_3_Trypsin_13_2_287.36218_11.04\n", "LR\n", - ">A0A2C9KB11/1065-1162_4_Trypsin_19_6_503.5155_11.04\n", + ">A0A2C9KB11/1065-1162_4_Trypsin_19_6_503.51548_11.04\n", "SGAGGR\n", - ">A0A2C9KB11/1065-1162_5_Trypsin_20_1_146.1894_10.04\n", + ">A0A2C9KB11/1065-1162_5_Trypsin_20_1_146.18938_10.04\n", "K\n", - ">A0A2C9KB11/1065-1162_6_Trypsin_25_5_529.5967_11.04\n", + ">A0A2C9KB11/1065-1162_6_Trypsin_25_5_529.59668_11.04\n", "NAGIR\n", - ">A0A2C9KB11/1065-1162_7_Trypsin_38_13_1623.9948_7.79\n", + ">A0A2C9KB11/1065-1162_7_Trypsin_38_13_1623.99478_7.79\n", "LVLWMLDHVPNMR\n", - ">A0A2C9KB11/1065-1162_8_Trypsin_42_4_535.6005_10.04\n", + ">A0A2C9KB11/1065-1162_8_Trypsin_42_4_535.60048_10.04\n", "NQFK\n", - ">A0A2C9KB11/1065-1162_9_Trypsin_43_1_146.1894_10.04\n", + ">A0A2C9KB11/1065-1162_9_Trypsin_43_1_146.18938_10.04\n", "K\n", - ">A0A2C9KB11/1065-1162_10_Trypsin_54_11_1297.4362_7.79\n", + ">A0A2C9KB11/1065-1162_10_Trypsin_54_11_1297.43618_7.79\n", "FAHQPDSVLQR\n", - ">A0A2C9KB11/1065-1162_11_Trypsin_64_10_1189.2903_3.74\n", + ">A0A2C9KB11/1065-1162_11_Trypsin_64_10_1189.29028_3.74\n", "DPEFLAQVDR\n", - ">A0A2C9KB11/1065-1162_12_Trypsin_88_24_2545.8469_3.47\n", + ">A0A2C9KB11/1065-1162_12_Trypsin_88_24_2545.84688_3.47\n", "ILGGVESMINNVDDPVALEAAFDR\n", - ">A0A2C9KB11/1065-1162_13_Trypsin_97_9_958.0973_4.96\n", + ">A0A2C9KB11/1065-1162_13_Trypsin_97_9_958.09728_4.96\n", "LADAHLSMT\n", - ">A0A2C9KB11/1221-1332_0_Trypsin_2_2_303.3183_6.94\n", + ">A0A2C9KB11/1221-1332_0_Trypsin_2_2_303.31828_6.94\n", "ER\n", - ">A0A2C9KB11/1221-1332_1_Trypsin_3_1_146.1894_10.04\n", + ">A0A2C9KB11/1221-1332_1_Trypsin_3_1_146.18938_10.04\n", "K\n", - ">A0A2C9KB11/1221-1332_2_Trypsin_6_3_330.4276_10.04\n", + ">A0A2C9KB11/1221-1332_2_Trypsin_6_3_330.42758_10.04\n", "ALK\n", - ">A0A2C9KB11/1221-1332_3_Trypsin_13_7_821.8852_6.71\n", + ">A0A2C9KB11/1221-1332_3_Trypsin_13_7_821.88518_6.71\n", "SSWDSLK\n", - ">A0A2C9KB11/1221-1332_4_Trypsin_38_25_2643.0307_6.94\n", + ">A0A2C9KB11/1221-1332_4_Trypsin_38_25_2643.03068_6.94\n", "SAAGGSQEAGVNLVLWMLQNVPNMR\n", - ">A0A2C9KB11/1221-1332_5_Trypsin_40_2_289.2914_6.73\n", + ">A0A2C9KB11/1221-1332_5_Trypsin_40_2_289.29138_6.73\n", "DR\n", - ">A0A2C9KB11/1221-1332_6_Trypsin_53_13_1463.5694_5.12\n", + ">A0A2C9KB11/1221-1332_6_Trypsin_53_13_1463.56938_5.12\n", "FTFNAHQGDDALK\n", - ">A0A2C9KB11/1221-1332_7_Trypsin_60_7_792.8871_4.12\n", + ">A0A2C9KB11/1221-1332_7_Trypsin_60_7_792.88708_4.12\n", "ADAEFIK\n", - ">A0A2C9KB11/1221-1332_8_Trypsin_64_4_529.5968_11.04\n", + ">A0A2C9KB11/1221-1332_8_Trypsin_64_4_529.59678_11.04\n", "QVQR\n", - ">A0A2C9KB11/1221-1332_9_Trypsin_81_17_1804.9896_3.74\n", + ">A0A2C9KB11/1221-1332_9_Trypsin_81_17_1804.98958_3.74\n", "ITGGLESMIDNLDNQGK\n", - ">A0A2C9KB11/1221-1332_10_Trypsin_88_7_785.8985_6.73\n", + ">A0A2C9KB11/1221-1332_10_Trypsin_88_7_785.89848_6.73\n", "LQAAIDR\n", - ">A0A2C9KB11/1221-1332_11_Trypsin_110_22_2524.9173_5.22\n", + ">A0A2C9KB11/1221-1332_11_Trypsin_110_22_2524.91728_5.22\n", "LVDAHLHMTPSVGLEYFEPLQK\n", - ">A0A2C9KB11/1221-1332_12_Trypsin_111_1_132.1191_5.97\n", + ">A0A2C9KB11/1221-1332_12_Trypsin_111_1_132.11908_5.97\n", "N\n", - ">A0A2C9KB11/1378-1486_0_Trypsin_2_2_289.2914_6.73\n", + ">A0A2C9KB11/1378-1486_0_Trypsin_2_2_289.29138_6.73\n", "DR\n", - ">A0A2C9KB11/1378-1486_1_Trypsin_3_1_146.1894_10.04\n", + ">A0A2C9KB11/1378-1486_1_Trypsin_3_1_146.18938_10.04\n", "K\n", - ">A0A2C9KB11/1378-1486_2_Trypsin_10_7_912.0099_6.87\n", + ">A0A2C9KB11/1378-1486_2_Trypsin_10_7_912.00988_6.87\n", "YIESSWK\n", - ">A0A2C9KB11/1378-1486_3_Trypsin_11_1_146.1894_10.04\n", + ">A0A2C9KB11/1378-1486_3_Trypsin_11_1_146.18938_10.04\n", "K\n", - ">A0A2C9KB11/1378-1486_4_Trypsin_21_10_947.9976_4.12\n", + ">A0A2C9KB11/1378-1486_4_Trypsin_21_10_947.99758_4.12\n", "LTDAAGGSEK\n", - ">A0A2C9KB11/1378-1486_5_Trypsin_38_17_1994.2983_6.73\n", + ">A0A2C9KB11/1378-1486_5_Trypsin_38_17_1994.29828_6.73\n", "AGTNFVFWLLDNVPNMR\n", - ">A0A2C9KB11/1378-1486_6_Trypsin_40_2_289.2914_6.73\n", + ">A0A2C9KB11/1378-1486_6_Trypsin_40_2_289.29138_6.73\n", "DR\n", - ">A0A2C9KB11/1378-1486_7_Trypsin_59_19_2255.3417_3.97\n", + ">A0A2C9KB11/1378-1486_7_Trypsin_59_19_2255.34168_3.97\n", "FTFNAHQSDAALQEDEEFR\n", - ">A0A2C9KB11/1378-1486_8_Trypsin_63_4_487.5565_10.04\n", + ">A0A2C9KB11/1378-1486_8_Trypsin_63_4_487.55648_10.04\n", "NQVK\n", - ">A0A2C9KB11/1378-1486_9_Trypsin_108_45_4677.2194_3.88\n", + ">A0A2C9KB11/1378-1486_9_Trypsin_108_45_4677.21938_3.88\n", "AITGGIESFVNNVNNPAALQSSIETLVDAHLNMQPSIGLSYFGSV\n", - ">A0A2C9KB11/1535-1643_0_Trypsin_2_2_289.2914_6.73\n", + ">A0A2C9KB11/1535-1643_0_Trypsin_2_2_289.29138_6.73\n", "DR\n", - ">A0A2C9KB11/1535-1643_1_Trypsin_3_1_174.2028_11.04\n", + ">A0A2C9KB11/1535-1643_1_Trypsin_3_1_174.20278_11.04\n", "R\n", - ">A0A2C9KB11/1535-1643_2_Trypsin_10_7_775.903_10.04\n", + ">A0A2C9KB11/1535-1643_2_Trypsin_10_7_775.90298_10.04\n", "AVVSSWK\n", - ">A0A2C9KB11/1535-1643_3_Trypsin_11_1_146.1894_10.04\n", + ">A0A2C9KB11/1535-1643_3_Trypsin_11_1_146.18938_10.04\n", "K\n", - ">A0A2C9KB11/1535-1643_4_Trypsin_17_6_603.6762_11.04\n", + ">A0A2C9KB11/1535-1643_4_Trypsin_17_6_603.67618_11.04\n", "LTASGR\n", - ">A0A2C9KB11/1535-1643_5_Trypsin_36_19_2281.6753_6.73\n", + ">A0A2C9KB11/1535-1643_5_Trypsin_36_19_2281.67528_6.73\n", "QSFGIDLVLWMFNNVPNMR\n", - ">A0A2C9KB11/1535-1643_6_Trypsin_44_8_985.0613_4.12\n", + ">A0A2C9KB11/1535-1643_6_Trypsin_44_8_985.06128_4.12\n", "EQFTFDAK\n", - ">A0A2C9KB11/1535-1643_7_Trypsin_51_7_803.8271_3.92\n", + ">A0A2C9KB11/1535-1643_7_Trypsin_51_7_803.82708_3.92\n", "QSDADLR\n", - ">A0A2C9KB11/1535-1643_8_Trypsin_52_1_174.2028_11.04\n", + ">A0A2C9KB11/1535-1643_8_Trypsin_52_1_174.20278_11.04\n", "R\n", - ">A0A2C9KB11/1535-1643_9_Trypsin_58_6_732.8345_6.71\n", + ">A0A2C9KB11/1535-1643_9_Trypsin_58_6_732.83448_6.71\n", "DPNFLK\n", - ">A0A2C9KB11/1535-1643_10_Trypsin_79_21_2158.3679_3.62\n", + ">A0A2C9KB11/1535-1643_10_Trypsin_79_21_2158.36788_3.62\n", "QVNSIVNGLGDMVDSVNDPGK\n", - ">A0A2C9KB11/1535-1643_11_Trypsin_86_7_842.9504_6.94\n", + ">A0A2C9KB11/1535-1643_11_Trypsin_86_7_842.95038_6.94\n", "LQANLER\n", - ">A0A2C9KB11/1535-1643_12_Trypsin_108_22_2521.9417_5.27\n", + ">A0A2C9KB11/1535-1643_12_Trypsin_108_22_2521.94168_5.27\n", "LSEIHLHFVPSVGPEFFVPLEK\n", - ">A0A2C9K1A5/128-239_0_Trypsin_3_3_374.4374_6.71\n", + ">A0A2C9K1A5/128-239_0_Trypsin_3_3_374.43738_6.71\n", "DIK\n", - ">A0A2C9K1A5/128-239_1_Trypsin_11_8_919.9896_6.71\n", + ">A0A2C9K1A5/128-239_1_Trypsin_11_8_919.98958_6.71\n", "ALDSSWNK\n", - ">A0A2C9K1A5/128-239_2_Trypsin_19_8_759.8173_6.73\n", + ">A0A2C9K1A5/128-239_2_Trypsin_19_8_759.81728_6.73\n", "LTAGADGR\n", - ">A0A2C9K1A5/128-239_3_Trypsin_37_18_2120.5152_11.04\n", + ">A0A2C9K1A5/128-239_3_Trypsin_37_18_2120.51518_11.04\n", "TTFGNNLVLWMLNVPNMR\n", - ">A0A2C9K1A5/128-239_4_Trypsin_39_2_303.3183_6.94\n", + ">A0A2C9K1A5/128-239_4_Trypsin_39_2_303.31828_6.94\n", "ER\n", - ">A0A2C9K1A5/128-239_5_Trypsin_42_3_392.4986_10.04\n", + ">A0A2C9K1A5/128-239_5_Trypsin_42_3_392.49858_10.04\n", "FVK\n", - ">A0A2C9K1A5/128-239_6_Trypsin_53_11_1259.3409_5.26\n", + ">A0A2C9K1A5/128-239_6_Trypsin_53_11_1259.34088_5.26\n", "FNAHQSDEALK\n", - ">A0A2C9K1A5/128-239_7_Trypsin_60_7_835.9121_4.12\n", + ">A0A2C9K1A5/128-239_7_Trypsin_60_7_835.91208_4.12\n", "NDAEFIK\n", - ">A0A2C9K1A5/128-239_8_Trypsin_63_3_373.4527_10.04\n", + ">A0A2C9K1A5/128-239_8_Trypsin_63_3_373.45268_10.04\n", "QVK\n", - ">A0A2C9K1A5/128-239_9_Trypsin_111_48_5318.1787_5.79\n", + ">A0A2C9K1A5/128-239_9_Trypsin_111_48_5318.17868_5.79\n", "LIVGGLQTLIINLNNPGQLQASIEHLADVHLHMKPSIGLEYFKPLQEN\n", - ">A0A2C9K1A5/285-395_0_Trypsin_2_2_261.278_6.71\n", + ">A0A2C9K1A5/285-395_0_Trypsin_2_2_261.27798_6.71\n", "DK\n", - ">A0A2C9K1A5/285-395_1_Trypsin_11_9_1034.1369_6.94\n", + ">A0A2C9K1A5/285-395_1_Trypsin_11_9_1034.13688_6.94\n", "VALESSWSR\n", - ">A0A2C9K1A5/285-395_2_Trypsin_19_8_758.8729_10.04\n", + ">A0A2C9K1A5/285-395_2_Trypsin_19_8_758.87288_10.04\n", "LTAGVNGK\n", - ">A0A2C9K1A5/285-395_3_Trypsin_20_1_174.2028_11.04\n", + ">A0A2C9K1A5/285-395_3_Trypsin_20_1_174.20278_11.04\n", "R\n", - ">A0A2C9K1A5/285-395_4_Trypsin_25_5_515.5699_11.04\n", + ">A0A2C9K1A5/285-395_4_Trypsin_25_5_515.56988_11.04\n", "NAGVR\n", - ">A0A2C9K1A5/285-395_5_Trypsin_37_12_1520.8709_6.73\n", + ">A0A2C9K1A5/285-395_5_Trypsin_37_12_1520.87088_6.73\n", "LVLWMFNVPDMR\n", - ">A0A2C9K1A5/285-395_6_Trypsin_39_2_303.3183_6.94\n", + ">A0A2C9K1A5/285-395_6_Trypsin_39_2_303.31828_6.94\n", "ER\n", - ">A0A2C9K1A5/285-395_7_Trypsin_42_3_422.4845_11.04\n", + ">A0A2C9K1A5/285-395_7_Trypsin_42_3_422.48448_11.04\n", "FTR\n", - ">A0A2C9K1A5/285-395_8_Trypsin_46_4_478.5486_10.04\n", + ">A0A2C9K1A5/285-395_8_Trypsin_46_4_478.54858_10.04\n", "FNAK\n", - ">A0A2C9K1A5/285-395_9_Trypsin_53_7_789.8406_4.12\n", + ">A0A2C9K1A5/285-395_9_Trypsin_53_7_789.84058_4.12\n", "QSDEALK\n", - ">A0A2C9K1A5/285-395_10_Trypsin_60_7_822.9134_4.12\n", + ">A0A2C9K1A5/285-395_10_Trypsin_60_7_822.91338_4.12\n", "TDAEFLK\n", - ">A0A2C9K1A5/285-395_11_Trypsin_85_25_2798.1452_3.53\n", + ">A0A2C9K1A5/285-395_11_Trypsin_85_25_2798.14518_3.53\n", "QVDVIIGGFETLINNLNDPTLLQDR\n", - ">A0A2C9K1A5/285-395_12_Trypsin_96_11_1225.3641_4.48\n", + ">A0A2C9K1A5/285-395_12_Trypsin_96_11_1225.36408_4.48\n", "LESLADAHLEK\n", - ">A0A2C9K1A5/285-395_13_Trypsin_110_14_1504.7924_10.18\n", + ">A0A2C9K1A5/285-395_13_Trypsin_110_14_1504.79238_10.18\n", "KPAIGVSYFGPLQK\n", - ">A0A2C9K1A5/588-698_0_Trypsin_2_2_261.278_6.71\n", + ">A0A2C9K1A5/588-698_0_Trypsin_2_2_261.27798_6.71\n", "DK\n", - ">A0A2C9K1A5/588-698_1_Trypsin_3_1_146.1894_10.04\n", + ">A0A2C9K1A5/588-698_1_Trypsin_3_1_146.18938_10.04\n", "K\n", - ">A0A2C9K1A5/588-698_2_Trypsin_25_22_2285.5012_10.04\n", + ">A0A2C9K1A5/588-698_2_Trypsin_25_22_2285.50118_10.04\n", "ALQSSWNTLVNQAGGQQNAGIK\n", - ">A0A2C9K1A5/588-698_3_Trypsin_37_12_1519.8861_11.04\n", + ">A0A2C9K1A5/588-698_3_Trypsin_37_12_1519.88608_11.04\n", "LVLWMFNVPNMR\n", - ">A0A2C9K1A5/588-698_4_Trypsin_39_2_289.2914_6.73\n", + ">A0A2C9K1A5/588-698_4_Trypsin_39_2_289.29138_6.73\n", "DR\n", - ">A0A2C9K1A5/588-698_5_Trypsin_42_3_380.4442_10.04\n", + ">A0A2C9K1A5/588-698_5_Trypsin_42_3_380.44418_10.04\n", "FSK\n", - ">A0A2C9K1A5/588-698_6_Trypsin_53_11_1204.2615_5.12\n", + ">A0A2C9K1A5/588-698_6_Trypsin_53_11_1204.26148_5.12\n", "FNAHSSDDALK\n", - ">A0A2C9K1A5/588-698_7_Trypsin_60_7_792.8871_4.12\n", + ">A0A2C9K1A5/588-698_7_Trypsin_60_7_792.88708_4.12\n", "ADAEFLK\n", - ">A0A2C9K1A5/588-698_8_Trypsin_81_21_2198.4148_3.53\n", + ">A0A2C9K1A5/588-698_8_Trypsin_81_21_2198.41478_3.53\n", "QVNVIVGGLESLVNNVDDADK\n", - ">A0A2C9K1A5/588-698_9_Trypsin_88_7_771.8717_6.94\n", + ">A0A2C9K1A5/588-698_9_Trypsin_88_7_771.87168_6.94\n", "LQAGVER\n", - ">A0A2C9K1A5/588-698_10_Trypsin_110_22_2438.7834_5.08\n", + ">A0A2C9K1A5/588-698_10_Trypsin_110_22_2438.78338_5.08\n", "LVDAHLHMSPSVGLEYFGPLQQ\n", - ">A0A2C9K1A5/745-855_0_Trypsin_2_2_289.2914_6.73\n", + ">A0A2C9K1A5/745-855_0_Trypsin_2_2_289.29138_6.73\n", "DR\n", - ">A0A2C9K1A5/745-855_1_Trypsin_3_1_146.1894_10.04\n", + ">A0A2C9K1A5/745-855_1_Trypsin_3_1_146.18938_10.04\n", "K\n", - ">A0A2C9K1A5/745-855_2_Trypsin_7_4_515.6103_6.94\n", + ">A0A2C9K1A5/745-855_2_Trypsin_7_4_515.61028_6.94\n", "VLER\n", - ">A0A2C9K1A5/745-855_3_Trypsin_19_12_1257.4116_10.04\n", + ">A0A2C9K1A5/745-855_3_Trypsin_19_12_1257.41158_10.04\n", "TWNQLISGPGGK\n", - ">A0A2C9K1A5/745-855_4_Trypsin_21_2_275.3049_6.92\n", + ">A0A2C9K1A5/745-855_4_Trypsin_21_2_275.30488_6.92\n", "EK\n", - ">A0A2C9K1A5/745-855_5_Trypsin_25_4_387.4795_10.04\n", + ">A0A2C9K1A5/745-855_5_Trypsin_25_4_387.47948_10.04\n", "AGIK\n", - ">A0A2C9K1A5/745-855_6_Trypsin_38_13_1649.0016_6.94\n", + ">A0A2C9K1A5/745-855_6_Trypsin_38_13_1649.00158_6.94\n", "LVLWMFENVPNMR\n", - ">A0A2C9K1A5/745-855_7_Trypsin_43_5_623.6635_6.71\n", + ">A0A2C9K1A5/745-855_7_Trypsin_43_5_623.66348_6.71\n", "DQFSK\n", - ">A0A2C9K1A5/745-855_8_Trypsin_48_5_616.6745_7.77\n", + ">A0A2C9K1A5/745-855_8_Trypsin_48_5_616.67448_7.77\n", "FDAHK\n", - ">A0A2C9K1A5/745-855_9_Trypsin_60_12_1349.5036_4.49\n", + ">A0A2C9K1A5/745-855_9_Trypsin_60_12_1349.50358_4.49\n", "SDEALSKPEFVK\n", - ">A0A2C9K1A5/745-855_10_Trypsin_96_36_3961.3599_4.25\n", + ">A0A2C9K1A5/745-855_10_Trypsin_96_36_3961.35988_4.25\n", "QVNNIFGGLESILNNLNKPGQLQSALENLADDHLDR\n", - ">A0A2C9K1A5/745-855_11_Trypsin_99_3_399.4936_11.53\n", + ">A0A2C9K1A5/745-855_11_Trypsin_99_3_399.49358_11.53\n", "KPR\n", - ">A0A2C9K1A5/745-855_12_Trypsin_110_11_1248.4875_6.92\n", + ">A0A2C9K1A5/745-855_12_Trypsin_110_11_1248.48748_6.92\n", "IGLEFFGPLQK\n", - ">A0A2C9K1A5/935-1004_0_Trypsin_10_10_1288.505_7.8\n", + ">A0A2C9K1A5/935-1004_0_Trypsin_10_10_1288.50498_7.8\n", "QMFEHVPNMR\n", - ">A0A2C9K1A5/935-1004_1_Trypsin_15_5_651.7173_6.92\n", + ">A0A2C9K1A5/935-1004_1_Trypsin_15_5_651.71728_6.92\n", "EQFTK\n", - ">A0A2C9K1A5/935-1004_2_Trypsin_26_11_1211.3427_7.77\n", + ">A0A2C9K1A5/935-1004_2_Trypsin_26_11_1211.34268_7.77\n", "FDAHQPNAALK\n", - ">A0A2C9K1A5/935-1004_3_Trypsin_37_11_1258.3995_6.94\n", + ">A0A2C9K1A5/935-1004_3_Trypsin_37_11_1258.39948_6.94\n", "QNPEFLAQVGR\n", - ">A0A2C9K1A5/935-1004_4_Trypsin_55_18_1881.1562_3.74\n", + ">A0A2C9K1A5/935-1004_4_Trypsin_55_18_1881.15618_3.74\n", "ILGGIESLLNNDDPVALK\n", - ">A0A2C9K1A5/935-1004_5_Trypsin_60_5_544.6084_6.73\n", + ">A0A2C9K1A5/935-1004_5_Trypsin_60_5_544.60838_6.73\n", "AAIDR\n", - ">A0A2C9K1A5/935-1004_6_Trypsin_69_9_944.0704_4.96\n", + ">A0A2C9K1A5/935-1004_6_Trypsin_69_9_944.07038_4.96\n", "LADAHLSMS\n"] @pytest.fixture @@ -522,121 +522,121 @@ def list_enz(): @pytest.fixture def res_dig_1_42(): """ Result for digestion with 1 and 42 and IPC2 """ - return ">Input_0_Arg-C_2_2_289.2914_5.98\n"\ + return ">Input_0_Arg-C_2_2_289.29138_5.98\n"\ "DR\n"\ - ">Input_1_Arg-C_13_11_1332.5223_7.79\n"\ + ">Input_1_Arg-C_13_11_1332.52228_7.79\n"\ "EALDSSWKKLR\n"\ - ">Input_2_Arg-C_19_6_503.5155_9.71\n"\ + ">Input_2_Arg-C_19_6_503.51548_9.71\n"\ "SGAGGR\n"\ - ">Input_3_Arg-C_25_6_657.7708_9.93\n"\ + ">Input_3_Arg-C_25_6_657.77078_9.93\n"\ "KNAGIR\n"\ - ">Input_4_Arg-C_44_19_2283.63_4.3\n"\ + ">Input_4_Arg-C_44_19_2283.62998_4.3\n"\ "LVLWMLDFDAHQPDSVLQR\n"\ - ">Input_5_Arg-C_47_3_407.4668_3.74\n"\ + ">Input_5_Arg-C_47_3_407.46678_3.74\n"\ "EFL\n"\ - ">Input_0_Trypsin_2_2_289.2914_5.98\n"\ + ">Input_0_Trypsin_2_2_289.29138_5.98\n"\ "DR\n"\ - ">Input_1_Trypsin_10_8_935.0013_4.29\n"\ + ">Input_1_Trypsin_10_8_935.00128_4.29\n"\ "EALDSSWK\n"\ - ">Input_2_Trypsin_11_1_146.1894_8.06\n"\ + ">Input_2_Trypsin_11_1_146.18938_8.06\n"\ "K\n"\ - ">Input_3_Trypsin_13_2_287.3622_9.71\n"\ + ">Input_3_Trypsin_13_2_287.36218_9.71\n"\ "LR\n"\ - ">Input_4_Trypsin_19_6_503.5155_9.71\n"\ + ">Input_4_Trypsin_19_6_503.51548_9.71\n"\ "SGAGGR\n"\ - ">Input_5_Trypsin_20_1_146.1894_8.06\n"\ + ">Input_5_Trypsin_20_1_146.18938_8.06\n"\ "K\n"\ - ">Input_6_Trypsin_25_5_529.5967_9.71\n"\ + ">Input_6_Trypsin_25_5_529.59668_9.71\n"\ "NAGIR\n"\ - ">Input_7_Trypsin_44_19_2283.63_4.3\n"\ + ">Input_7_Trypsin_44_19_2283.62998_4.3\n"\ "LVLWMLDFDAHQPDSVLQR\n"\ - ">Input_8_Trypsin_47_3_407.4668_3.74\n"\ + ">Input_8_Trypsin_47_3_407.46678_3.74\n"\ "EFL\n" @pytest.fixture def res_dig_1_42_2(): """ Result for digestion with 1 and 42 and IPC2 """ - return ">Input_0_Trypsin_2_2_289.2914_5.98\n"\ + return ">Input_0_Trypsin_2_2_289.29138_5.98\n"\ "DR\n"\ - ">Input_1_Trypsin_10_8_935.0013_4.29\n"\ + ">Input_1_Trypsin_10_8_935.00128_4.29\n"\ "EALDSSWK\n"\ - ">Input_2_Trypsin_11_1_146.1894_8.06\n"\ + ">Input_2_Trypsin_11_1_146.18938_8.06\n"\ "K\n"\ - ">Input_3_Trypsin_13_2_287.3622_9.71\n"\ + ">Input_3_Trypsin_13_2_287.36218_9.71\n"\ "LR\n"\ - ">Input_4_Trypsin_19_6_503.5155_9.71\n"\ + ">Input_4_Trypsin_19_6_503.51548_9.71\n"\ "SGAGGR\n"\ - ">Input_5_Trypsin_20_1_146.1894_8.06\n"\ + ">Input_5_Trypsin_20_1_146.18938_8.06\n"\ "K\n"\ - ">Input_6_Trypsin_25_5_529.5967_9.71\n"\ + ">Input_6_Trypsin_25_5_529.59668_9.71\n"\ "NAGIR\n"\ - ">Input_7_Trypsin_44_19_2283.63_4.3\n"\ + ">Input_7_Trypsin_44_19_2283.62998_4.3\n"\ "LVLWMLDFDAHQPDSVLQR\n"\ - ">Input_8_Trypsin_47_3_407.4668_3.74\n"\ + ">Input_8_Trypsin_47_3_407.46678_3.74\n"\ "EFL\n"\ - ">Input_9_Trypsin_10_10_1206.2774_4.49\n"\ + ">Input_9_Trypsin_10_10_1206.27738_4.49\n"\ "DREALDSSWK\n"\ - ">Input_10_Trypsin_11_9_1063.1754_6.12\n"\ + ">Input_10_Trypsin_11_9_1063.17538_6.12\n"\ "EALDSSWKK\n"\ - ">Input_11_Trypsin_13_3_415.5363_9.93\n"\ + ">Input_11_Trypsin_13_3_415.53628_9.93\n"\ "KLR\n"\ - ">Input_12_Trypsin_19_8_772.8624_11.49\n"\ + ">Input_12_Trypsin_19_8_772.86238_11.49\n"\ "LRSGAGGR\n"\ - ">Input_13_Trypsin_20_7_631.6896_9.93\n"\ + ">Input_13_Trypsin_20_7_631.68958_9.93\n"\ "SGAGGRK\n"\ - ">Input_14_Trypsin_25_6_657.7708_9.93\n"\ + ">Input_14_Trypsin_25_6_657.77078_9.93\n"\ "KNAGIR\n"\ - ">Input_15_Trypsin_44_24_2795.2114_5.46\n"\ + ">Input_15_Trypsin_44_24_2795.21138_5.46\n"\ "NAGIRLVLWMLDFDAHQPDSVLQR\n"\ - ">Input_16_Trypsin_47_22_2673.0815_4.12\n"\ + ">Input_16_Trypsin_47_22_2673.08148_4.12\n"\ "LVLWMLDFDAHQPDSVLQREFL\n"\ - ">Input_17_Trypsin_11_11_1334.4515_6.16\n"\ + ">Input_17_Trypsin_11_11_1334.45148_6.16\n"\ "DREALDSSWKK\n"\ - ">Input_18_Trypsin_13_11_1332.5223_7.79\n"\ + ">Input_18_Trypsin_13_11_1332.52228_7.79\n"\ "EALDSSWKKLR\n"\ - ">Input_19_Trypsin_19_9_901.0365_11.49\n"\ + ">Input_19_Trypsin_19_9_901.03648_11.49\n"\ "KLRSGAGGR\n"\ - ">Input_20_Trypsin_20_9_901.0365_11.49\n"\ + ">Input_20_Trypsin_20_9_901.03648_11.49\n"\ "LRSGAGGRK\n"\ - ">Input_21_Trypsin_25_12_1143.271_11.49\n"\ + ">Input_21_Trypsin_25_12_1143.27098_11.49\n"\ "SGAGGRKNAGIR\n"\ - ">Input_22_Trypsin_44_25_2923.3855_7.08\n"\ + ">Input_22_Trypsin_44_25_2923.38548_7.08\n"\ "KNAGIRLVLWMLDFDAHQPDSVLQR\n"\ - ">Input_23_Trypsin_47_27_3184.6629_4.61\n"\ + ">Input_23_Trypsin_47_27_3184.66288_4.61\n"\ "NAGIRLVLWMLDFDAHQPDSVLQREFL\n" @pytest.fixture def res_dig_1_42_ipc(): """ Result for digestion with 1 and 42 """ - return ">Input_0_Arg-C_2_2_289.2914_6.73\n"\ + return ">Input_0_Arg-C_2_2_289.29138_6.73\n"\ "DR\n"\ - ">Input_1_Arg-C_13_11_1332.5223_9.84\n"\ + ">Input_1_Arg-C_13_11_1332.52228_9.84\n"\ "EALDSSWKKLR\n"\ - ">Input_2_Arg-C_19_6_503.5155_11.04\n"\ + ">Input_2_Arg-C_19_6_503.51548_11.04\n"\ "SGAGGR\n"\ - ">Input_3_Arg-C_25_6_657.7708_11.53\n"\ + ">Input_3_Arg-C_25_6_657.77078_11.53\n"\ "KNAGIR\n"\ - ">Input_4_Arg-C_44_19_2283.63_4.19\n"\ + ">Input_4_Arg-C_44_19_2283.62998_4.19\n"\ "LVLWMLDFDAHQPDSVLQR\n"\ - ">Input_5_Arg-C_47_3_407.4668_3.36\n"\ + ">Input_5_Arg-C_47_3_407.46678_3.36\n"\ "EFL\n"\ - ">Input_0_Trypsin_2_2_289.2914_6.73\n"\ + ">Input_0_Trypsin_2_2_289.29138_6.73\n"\ "DR\n"\ - ">Input_1_Trypsin_10_8_935.0013_4.12\n"\ + ">Input_1_Trypsin_10_8_935.00128_4.12\n"\ "EALDSSWK\n"\ - ">Input_2_Trypsin_11_1_146.1894_10.04\n"\ + ">Input_2_Trypsin_11_1_146.18938_10.04\n"\ "K\n"\ - ">Input_3_Trypsin_13_2_287.3622_11.04\n"\ + ">Input_3_Trypsin_13_2_287.36218_11.04\n"\ "LR\n"\ - ">Input_4_Trypsin_19_6_503.5155_11.04\n"\ + ">Input_4_Trypsin_19_6_503.51548_11.04\n"\ "SGAGGR\n"\ - ">Input_5_Trypsin_20_1_146.1894_10.04\n"\ + ">Input_5_Trypsin_20_1_146.18938_10.04\n"\ "K\n"\ - ">Input_6_Trypsin_25_5_529.5967_11.04\n"\ + ">Input_6_Trypsin_25_5_529.59668_11.04\n"\ "NAGIR\n"\ - ">Input_7_Trypsin_44_19_2283.63_4.19\n"\ + ">Input_7_Trypsin_44_19_2283.62998_4.19\n"\ "LVLWMLDFDAHQPDSVLQR\n"\ - ">Input_8_Trypsin_47_3_407.4668_3.36\n"\ + ">Input_8_Trypsin_47_3_407.46678_3.36\n"\ "EFL\n" def test_wrong_file(tmp_path, capsys): @@ -751,15 +751,15 @@ def test_d_option(capsys): RapidPeptidesGenerator.main() # Output captured = capsys.readouterr() - assert ">Input_0_Lys-C_2_2_243.3061_8.06\nPK\n"\ - ">Input_1_Lys-C_4_2_243.3061_8.06\nPK\n"\ - ">Input_2_Lys-C_6_2_243.3061_8.06\nPK\n"\ - ">Input_3_Lys-C_8_2_243.3061_8.06\nPK\n"\ - ">Input_0_Lys-N_1_1_115.132_5.46\nP\n"\ - ">Input_1_Lys-N_3_2_243.3061_8.06\nKP\n"\ - ">Input_2_Lys-N_5_2_243.3061_8.06\nKP\n"\ - ">Input_3_Lys-N_7_2_243.3061_8.06\nKP\n"\ - ">Input_4_Lys-N_8_1_146.1894_8.06\nK\n" in captured.out + assert ">Input_0_Lys-C_2_2_243.30608_8.06\nPK\n"\ + ">Input_1_Lys-C_4_2_243.30608_8.06\nPK\n"\ + ">Input_2_Lys-C_6_2_243.30608_8.06\nPK\n"\ + ">Input_3_Lys-C_8_2_243.30608_8.06\nPK\n"\ + ">Input_0_Lys-N_1_1_115.13198_5.46\nP\n"\ + ">Input_1_Lys-N_3_2_243.30608_8.06\nKP\n"\ + ">Input_2_Lys-N_5_2_243.30608_8.06\nKP\n"\ + ">Input_3_Lys-N_7_2_243.30608_8.06\nKP\n"\ + ">Input_4_Lys-N_8_1_146.18938_8.06\nK\n" in captured.out # concurrent with unittest.mock.patch("sys.argv", ["func_test", "-s", "PKPKPKPK", @@ -767,14 +767,14 @@ def test_d_option(capsys): RapidPeptidesGenerator.main() # Output captured = capsys.readouterr() - assert ">Input_0_Lys-C-Lys-N_1_1_115.132_5.46\nP\n"\ - ">Input_1_Lys-C-Lys-N_2_1_146.1894_8.06\nK\n"\ - ">Input_2_Lys-C-Lys-N_3_1_115.132_5.46\nP\n"\ - ">Input_3_Lys-C-Lys-N_4_1_146.1894_8.06\nK\n"\ - ">Input_4_Lys-C-Lys-N_5_1_115.132_5.46\nP\n"\ - ">Input_5_Lys-C-Lys-N_6_1_146.1894_8.06\nK\n"\ - ">Input_6_Lys-C-Lys-N_7_1_115.132_5.46\nP\n"\ - ">Input_7_Lys-C-Lys-N_8_1_146.1894_8.06\nK\n" in captured.out + assert ">Input_0_Lys-C-Lys-N_1_1_115.13198_5.46\nP\n"\ + ">Input_1_Lys-C-Lys-N_2_1_146.18938_8.06\nK\n"\ + ">Input_2_Lys-C-Lys-N_3_1_115.13198_5.46\nP\n"\ + ">Input_3_Lys-C-Lys-N_4_1_146.18938_8.06\nK\n"\ + ">Input_4_Lys-C-Lys-N_5_1_115.13198_5.46\nP\n"\ + ">Input_5_Lys-C-Lys-N_6_1_146.18938_8.06\nK\n"\ + ">Input_6_Lys-C-Lys-N_7_1_115.13198_5.46\nP\n"\ + ">Input_7_Lys-C-Lys-N_8_1_146.18938_8.06\nK\n" in captured.out def test_d_option_ipc(capsys): """ Test -d behavior """ @@ -785,15 +785,15 @@ def test_d_option_ipc(capsys): RapidPeptidesGenerator.main() # Output captured = capsys.readouterr() - assert "Input_0_Lys-C_2_2_243.3061_10.04\nPK\n"\ - ">Input_1_Lys-C_4_2_243.3061_10.04\nPK\n"\ - ">Input_2_Lys-C_6_2_243.3061_10.04\nPK\n"\ - ">Input_3_Lys-C_8_2_243.3061_10.04\nPK\n"\ - ">Input_0_Lys-N_1_1_115.132_5.97\nP\n"\ - ">Input_1_Lys-N_3_2_243.3061_10.04\nKP\n"\ - ">Input_2_Lys-N_5_2_243.3061_10.04\nKP\n"\ - ">Input_3_Lys-N_7_2_243.3061_10.04\nKP\n"\ - ">Input_4_Lys-N_8_1_146.1894_10.04\nK\n" in captured.out + assert "Input_0_Lys-C_2_2_243.30608_10.04\nPK\n"\ + ">Input_1_Lys-C_4_2_243.30608_10.04\nPK\n"\ + ">Input_2_Lys-C_6_2_243.30608_10.04\nPK\n"\ + ">Input_3_Lys-C_8_2_243.30608_10.04\nPK\n"\ + ">Input_0_Lys-N_1_1_115.13198_5.97\nP\n"\ + ">Input_1_Lys-N_3_2_243.30608_10.04\nKP\n"\ + ">Input_2_Lys-N_5_2_243.30608_10.04\nKP\n"\ + ">Input_3_Lys-N_7_2_243.30608_10.04\nKP\n"\ + ">Input_4_Lys-N_8_1_146.18938_10.04\nK\n" in captured.out # concurrent with unittest.mock.patch("sys.argv", ["func_test", "-s", "PKPKPKPK", "-p", "ipc", @@ -801,14 +801,14 @@ def test_d_option_ipc(capsys): RapidPeptidesGenerator.main() # Output captured = capsys.readouterr() - assert ">Input_0_Lys-C-Lys-N_1_1_115.132_5.97\nP\n"\ - ">Input_1_Lys-C-Lys-N_2_1_146.1894_10.04\nK\n"\ - ">Input_2_Lys-C-Lys-N_3_1_115.132_5.97\nP\n"\ - ">Input_3_Lys-C-Lys-N_4_1_146.1894_10.04\nK\n"\ - ">Input_4_Lys-C-Lys-N_5_1_115.132_5.97\nP\n"\ - ">Input_5_Lys-C-Lys-N_6_1_146.1894_10.04\nK\n"\ - ">Input_6_Lys-C-Lys-N_7_1_115.132_5.97\nP\n"\ - ">Input_7_Lys-C-Lys-N_8_1_146.1894_10.04\nK\n" in captured.out + assert ">Input_0_Lys-C-Lys-N_1_1_115.13198_5.97\nP\n"\ + ">Input_1_Lys-C-Lys-N_2_1_146.18938_10.04\nK\n"\ + ">Input_2_Lys-C-Lys-N_3_1_115.13198_5.97\nP\n"\ + ">Input_3_Lys-C-Lys-N_4_1_146.18938_10.04\nK\n"\ + ">Input_4_Lys-C-Lys-N_5_1_115.13198_5.97\nP\n"\ + ">Input_5_Lys-C-Lys-N_6_1_146.18938_10.04\nK\n"\ + ">Input_6_Lys-C-Lys-N_7_1_115.13198_5.97\nP\n"\ + ">Input_7_Lys-C-Lys-N_8_1_146.18938_10.04\nK\n" in captured.out def test_p_option(capsys): """ Test -p behavior """ @@ -819,15 +819,15 @@ def test_p_option(capsys): RapidPeptidesGenerator.main() # Output captured = capsys.readouterr() - assert ">Input_0_Lys-C_2_2_243.3061_8.06\nPK\n"\ - ">Input_1_Lys-C_4_2_243.3061_8.06\nPK\n"\ - ">Input_2_Lys-C_6_2_243.3061_8.06\nPK\n"\ - ">Input_3_Lys-C_8_2_243.3061_8.06\nPK\n"\ - ">Input_0_Lys-N_1_1_115.132_5.46\nP\n"\ - ">Input_1_Lys-N_3_2_243.3061_8.06\nKP\n"\ - ">Input_2_Lys-N_5_2_243.3061_8.06\nKP\n"\ - ">Input_3_Lys-N_7_2_243.3061_8.06\nKP\n"\ - ">Input_4_Lys-N_8_1_146.1894_8.06\nK\n" in captured.out + assert ">Input_0_Lys-C_2_2_243.30608_8.06\nPK\n"\ + ">Input_1_Lys-C_4_2_243.30608_8.06\nPK\n"\ + ">Input_2_Lys-C_6_2_243.30608_8.06\nPK\n"\ + ">Input_3_Lys-C_8_2_243.30608_8.06\nPK\n"\ + ">Input_0_Lys-N_1_1_115.13198_5.46\nP\n"\ + ">Input_1_Lys-N_3_2_243.30608_8.06\nKP\n"\ + ">Input_2_Lys-N_5_2_243.30608_8.06\nKP\n"\ + ">Input_3_Lys-N_7_2_243.30608_8.06\nKP\n"\ + ">Input_4_Lys-N_8_1_146.18938_8.06\nK\n" in captured.out # stryer with unittest.mock.patch("sys.argv", ["func_test", @@ -836,15 +836,15 @@ def test_p_option(capsys): RapidPeptidesGenerator.main() # Output captured = capsys.readouterr() - assert ">Input_0_Lys-C_2_2_243.3061_9.4\nPK\n"\ - ">Input_1_Lys-C_4_2_243.3061_9.4\nPK\n"\ - ">Input_2_Lys-C_6_2_243.3061_9.4\nPK\n"\ - ">Input_3_Lys-C_8_2_243.3061_9.4\nPK\n"\ - ">Input_0_Lys-N_1_1_115.132_5.54\nP\n"\ - ">Input_1_Lys-N_3_2_243.3061_9.4\nKP\n"\ - ">Input_2_Lys-N_5_2_243.3061_9.4\nKP\n"\ - ">Input_3_Lys-N_7_2_243.3061_9.4\nKP\n"\ - ">Input_4_Lys-N_8_1_146.1894_9.4\nK\n" in captured.out + assert ">Input_0_Lys-C_2_2_243.30608_9.4\nPK\n"\ + ">Input_1_Lys-C_4_2_243.30608_9.4\nPK\n"\ + ">Input_2_Lys-C_6_2_243.30608_9.4\nPK\n"\ + ">Input_3_Lys-C_8_2_243.30608_9.4\nPK\n"\ + ">Input_0_Lys-N_1_1_115.13198_5.54\nP\n"\ + ">Input_1_Lys-N_3_2_243.30608_9.4\nKP\n"\ + ">Input_2_Lys-N_5_2_243.30608_9.4\nKP\n"\ + ">Input_3_Lys-N_7_2_243.30608_9.4\nKP\n"\ + ">Input_4_Lys-N_8_1_146.18938_9.4\nK\n" in captured.out # ipc with unittest.mock.patch("sys.argv", ["func_test", @@ -853,15 +853,15 @@ def test_p_option(capsys): RapidPeptidesGenerator.main() # Output captured = capsys.readouterr() - assert ">Input_0_Lys-C_2_2_243.3061_10.04\nPK\n"\ - ">Input_1_Lys-C_4_2_243.3061_10.04\nPK\n"\ - ">Input_2_Lys-C_6_2_243.3061_10.04\nPK\n"\ - ">Input_3_Lys-C_8_2_243.3061_10.04\nPK\n"\ - ">Input_0_Lys-N_1_1_115.132_5.97\nP\n"\ - ">Input_1_Lys-N_3_2_243.3061_10.04\nKP\n"\ - ">Input_2_Lys-N_5_2_243.3061_10.04\nKP\n"\ - ">Input_3_Lys-N_7_2_243.3061_10.04\nKP\n"\ - ">Input_4_Lys-N_8_1_146.1894_10.04\nK\n" in captured.out + assert ">Input_0_Lys-C_2_2_243.30608_10.04\nPK\n"\ + ">Input_1_Lys-C_4_2_243.30608_10.04\nPK\n"\ + ">Input_2_Lys-C_6_2_243.30608_10.04\nPK\n"\ + ">Input_3_Lys-C_8_2_243.30608_10.04\nPK\n"\ + ">Input_0_Lys-N_1_1_115.13198_5.97\nP\n"\ + ">Input_1_Lys-N_3_2_243.30608_10.04\nKP\n"\ + ">Input_2_Lys-N_5_2_243.30608_10.04\nKP\n"\ + ">Input_3_Lys-N_7_2_243.30608_10.04\nKP\n"\ + ">Input_4_Lys-N_8_1_146.18938_10.04\nK\n" in captured.out def test_f_option(capsys): """ Test -f behavior """ @@ -872,15 +872,15 @@ def test_f_option(capsys): RapidPeptidesGenerator.main() # Output captured = capsys.readouterr() - assert ">Input_0_Lys-C_2_2_243.3061_8.06\nPK\n"\ - ">Input_1_Lys-C_4_2_243.3061_8.06\nPK\n"\ - ">Input_2_Lys-C_6_2_243.3061_8.06\nPK\n"\ - ">Input_3_Lys-C_8_2_243.3061_8.06\nPK\n"\ - ">Input_0_Lys-N_1_1_115.132_5.46\nP\n"\ - ">Input_1_Lys-N_3_2_243.3061_8.06\nKP\n"\ - ">Input_2_Lys-N_5_2_243.3061_8.06\nKP\n"\ - ">Input_3_Lys-N_7_2_243.3061_8.06\nKP\n"\ - ">Input_4_Lys-N_8_1_146.1894_8.06\nK\n" in captured.out + assert ">Input_0_Lys-C_2_2_243.30608_8.06\nPK\n"\ + ">Input_1_Lys-C_4_2_243.30608_8.06\nPK\n"\ + ">Input_2_Lys-C_6_2_243.30608_8.06\nPK\n"\ + ">Input_3_Lys-C_8_2_243.30608_8.06\nPK\n"\ + ">Input_0_Lys-N_1_1_115.13198_5.46\nP\n"\ + ">Input_1_Lys-N_3_2_243.30608_8.06\nKP\n"\ + ">Input_2_Lys-N_5_2_243.30608_8.06\nKP\n"\ + ">Input_3_Lys-N_7_2_243.30608_8.06\nKP\n"\ + ">Input_4_Lys-N_8_1_146.18938_8.06\nK\n" in captured.out # csv with unittest.mock.patch("sys.argv", ["func_test", @@ -891,15 +891,15 @@ def test_f_option(capsys): captured = capsys.readouterr() assert "Original_header,No_peptide,Enzyme,Cleaving_pos,Peptide_size,"\ "Peptide_mass,pI,Sequence\n"\ - "Input,0,Lys-C,2,2,243.3061,8.06,PK\n"\ - "Input,1,Lys-C,4,2,243.3061,8.06,PK\n"\ - "Input,2,Lys-C,6,2,243.3061,8.06,PK\n"\ - "Input,3,Lys-C,8,2,243.3061,8.06,PK\n"\ - "Input,0,Lys-N,1,1,115.132,5.46,P\n"\ - "Input,1,Lys-N,3,2,243.3061,8.06,KP\n"\ - "Input,2,Lys-N,5,2,243.3061,8.06,KP\n"\ - "Input,3,Lys-N,7,2,243.3061,8.06,KP\n"\ - "Input,4,Lys-N,8,1,146.1894,8.06,K\n" in captured.out + "Input,0,Lys-C,2,2,243.30608,8.06,PK\n"\ + "Input,1,Lys-C,4,2,243.30608,8.06,PK\n"\ + "Input,2,Lys-C,6,2,243.30608,8.06,PK\n"\ + "Input,3,Lys-C,8,2,243.30608,8.06,PK\n"\ + "Input,0,Lys-N,1,1,115.13198,5.46,P\n"\ + "Input,1,Lys-N,3,2,243.30608,8.06,KP\n"\ + "Input,2,Lys-N,5,2,243.30608,8.06,KP\n"\ + "Input,3,Lys-N,7,2,243.30608,8.06,KP\n"\ + "Input,4,Lys-N,8,1,146.18938,8.06,K\n" in captured.out # tsv with unittest.mock.patch("sys.argv", ["func_test", @@ -910,15 +910,15 @@ def test_f_option(capsys): captured = capsys.readouterr() assert "Original_header\tNo_peptide\tEnzyme\tCleaving_pos\tPeptide_size\t"\ "Peptide_mass\tpI\tSequence\n"\ - "Input\t0\tLys-C\t2\t2\t243.3061\t8.06\tPK\n"\ - "Input\t1\tLys-C\t4\t2\t243.3061\t8.06\tPK\n"\ - "Input\t2\tLys-C\t6\t2\t243.3061\t8.06\tPK\n"\ - "Input\t3\tLys-C\t8\t2\t243.3061\t8.06\tPK\n"\ - "Input\t0\tLys-N\t1\t1\t115.132\t5.46\tP\n"\ - "Input\t1\tLys-N\t3\t2\t243.3061\t8.06\tKP\n"\ - "Input\t2\tLys-N\t5\t2\t243.3061\t8.06\tKP\n"\ - "Input\t3\tLys-N\t7\t2\t243.3061\t8.06\tKP\n"\ - "Input\t4\tLys-N\t8\t1\t146.1894\t8.06\tK\n" in captured.out + "Input\t0\tLys-C\t2\t2\t243.30608\t8.06\tPK\n"\ + "Input\t1\tLys-C\t4\t2\t243.30608\t8.06\tPK\n"\ + "Input\t2\tLys-C\t6\t2\t243.30608\t8.06\tPK\n"\ + "Input\t3\tLys-C\t8\t2\t243.30608\t8.06\tPK\n"\ + "Input\t0\tLys-N\t1\t1\t115.13198\t5.46\tP\n"\ + "Input\t1\tLys-N\t3\t2\t243.30608\t8.06\tKP\n"\ + "Input\t2\tLys-N\t5\t2\t243.30608\t8.06\tKP\n"\ + "Input\t3\tLys-N\t7\t2\t243.30608\t8.06\tKP\n"\ + "Input\t4\tLys-N\t8\t1\t146.18938\t8.06\tK\n" in captured.out def test_f_option_ipc(capsys): """ Test -f behavior """ @@ -929,15 +929,15 @@ def test_f_option_ipc(capsys): RapidPeptidesGenerator.main() # Output captured = capsys.readouterr() - assert "Input_0_Lys-C_2_2_243.3061_10.04\nPK\n"\ - ">Input_1_Lys-C_4_2_243.3061_10.04\nPK\n"\ - ">Input_2_Lys-C_6_2_243.3061_10.04\nPK\n"\ - ">Input_3_Lys-C_8_2_243.3061_10.04\nPK\n"\ - ">Input_0_Lys-N_1_1_115.132_5.97\nP\n"\ - ">Input_1_Lys-N_3_2_243.3061_10.04\nKP\n"\ - ">Input_2_Lys-N_5_2_243.3061_10.04\nKP\n"\ - ">Input_3_Lys-N_7_2_243.3061_10.04\nKP\n"\ - ">Input_4_Lys-N_8_1_146.1894_10.04\nK\n" in captured.out + assert "Input_0_Lys-C_2_2_243.30608_10.04\nPK\n"\ + ">Input_1_Lys-C_4_2_243.30608_10.04\nPK\n"\ + ">Input_2_Lys-C_6_2_243.30608_10.04\nPK\n"\ + ">Input_3_Lys-C_8_2_243.30608_10.04\nPK\n"\ + ">Input_0_Lys-N_1_1_115.13198_5.97\nP\n"\ + ">Input_1_Lys-N_3_2_243.30608_10.04\nKP\n"\ + ">Input_2_Lys-N_5_2_243.30608_10.04\nKP\n"\ + ">Input_3_Lys-N_7_2_243.30608_10.04\nKP\n"\ + ">Input_4_Lys-N_8_1_146.18938_10.04\nK\n" in captured.out # csv with unittest.mock.patch("sys.argv", ["func_test", @@ -948,15 +948,15 @@ def test_f_option_ipc(capsys): captured = capsys.readouterr() assert "Original_header,No_peptide,Enzyme,Cleaving_pos,Peptide_size,"\ "Peptide_mass,pI,Sequence\n"\ - "Input,0,Lys-C,2,2,243.3061,10.04,PK\n"\ - "Input,1,Lys-C,4,2,243.3061,10.04,PK\n"\ - "Input,2,Lys-C,6,2,243.3061,10.04,PK\n"\ - "Input,3,Lys-C,8,2,243.3061,10.04,PK\n"\ - "Input,0,Lys-N,1,1,115.132,5.97,P\n"\ - "Input,1,Lys-N,3,2,243.3061,10.04,KP\n"\ - "Input,2,Lys-N,5,2,243.3061,10.04,KP\n"\ - "Input,3,Lys-N,7,2,243.3061,10.04,KP\n"\ - "Input,4,Lys-N,8,1,146.1894,10.04,K\n" in captured.out + "Input,0,Lys-C,2,2,243.30608,10.04,PK\n"\ + "Input,1,Lys-C,4,2,243.30608,10.04,PK\n"\ + "Input,2,Lys-C,6,2,243.30608,10.04,PK\n"\ + "Input,3,Lys-C,8,2,243.30608,10.04,PK\n"\ + "Input,0,Lys-N,1,1,115.13198,5.97,P\n"\ + "Input,1,Lys-N,3,2,243.30608,10.04,KP\n"\ + "Input,2,Lys-N,5,2,243.30608,10.04,KP\n"\ + "Input,3,Lys-N,7,2,243.30608,10.04,KP\n"\ + "Input,4,Lys-N,8,1,146.18938,10.04,K\n" in captured.out # tsv with unittest.mock.patch("sys.argv", ["func_test", @@ -967,15 +967,15 @@ def test_f_option_ipc(capsys): captured = capsys.readouterr() assert "Original_header\tNo_peptide\tEnzyme\tCleaving_pos\tPeptide_size\t"\ "Peptide_mass\tpI\tSequence\n"\ - "Input\t0\tLys-C\t2\t2\t243.3061\t10.04\tPK\n"\ - "Input\t1\tLys-C\t4\t2\t243.3061\t10.04\tPK\n"\ - "Input\t2\tLys-C\t6\t2\t243.3061\t10.04\tPK\n"\ - "Input\t3\tLys-C\t8\t2\t243.3061\t10.04\tPK\n"\ - "Input\t0\tLys-N\t1\t1\t115.132\t5.97\tP\n"\ - "Input\t1\tLys-N\t3\t2\t243.3061\t10.04\tKP\n"\ - "Input\t2\tLys-N\t5\t2\t243.3061\t10.04\tKP\n"\ - "Input\t3\tLys-N\t7\t2\t243.3061\t10.04\tKP\n"\ - "Input\t4\tLys-N\t8\t1\t146.1894\t10.04\tK\n" in captured.out + "Input\t0\tLys-C\t2\t2\t243.30608\t10.04\tPK\n"\ + "Input\t1\tLys-C\t4\t2\t243.30608\t10.04\tPK\n"\ + "Input\t2\tLys-C\t6\t2\t243.30608\t10.04\tPK\n"\ + "Input\t3\tLys-C\t8\t2\t243.30608\t10.04\tPK\n"\ + "Input\t0\tLys-N\t1\t1\t115.13198\t5.97\tP\n"\ + "Input\t1\tLys-N\t3\t2\t243.30608\t10.04\tKP\n"\ + "Input\t2\tLys-N\t5\t2\t243.30608\t10.04\tKP\n"\ + "Input\t3\tLys-N\t7\t2\t243.30608\t10.04\tKP\n"\ + "Input\t4\tLys-N\t8\t1\t146.18938\t10.04\tK\n" in captured.out def test_i_option(capsys, truth, file_a): """ Test the functional behavior of FRAG of i option """ diff --git a/tests/test_sequence.py b/tests/test_sequence.py index dbe637e007588e1ae82e62ff7109e5ac29249422..dedb82145d40568807bfd166ed52162d1ae1664b 100644 --- a/tests/test_sequence.py +++ b/tests/test_sequence.py @@ -19,7 +19,7 @@ def test_peptide(): # Test function '__repr__()' assert pep0.__repr__() == "Original header: fake_sequence\nNo. peptide: "\ "42\nEnzyme: Pwet\nCleav. pos: 0\nPep. size: 8"\ - "\nPep. mass: 1012.9849\npKa values from: IPC"\ + "\nPep. mass: 1012.98488\npKa values from: IPC"\ "\nPep. pI: 2.91\nSequence: QWSDESDF\n" header = "fake_sequence"