From 44826db4653f7efa5a029afe03f83bd908062e9a Mon Sep 17 00:00:00 2001 From: Alex Kanitz <alexander.kanitz@unibas.ch> Date: Fri, 12 Jun 2020 12:50:14 +0200 Subject: [PATCH] fix(prepare_inputs): support relative paths --- .gitlab-ci.yml | 4 +- README.md | 4 +- images/dag_test_workflow.svg | 280 +++++----- images/rule_graph.svg | 124 ++--- ...epare_inputs.labkey_to_snakemake.dict.tsv} | 0 ...bkey_to_snakemake.py => prepare_inputs.py} | 514 +++++++++--------- .../expected_output.md5 | 2 - .../expected_output.md5 | 0 .../test.sh | 4 +- .../expected_output.md5 | 2 + .../input_table.tsv | 0 .../test.sh | 6 +- 12 files changed, 478 insertions(+), 462 deletions(-) rename scripts/{labkey_to_snakemake.dict.tsv => prepare_inputs.labkey_to_snakemake.dict.tsv} (100%) rename scripts/{labkey_to_snakemake.py => prepare_inputs.py} (96%) delete mode 100644 tests/test_scripts_labkey_to_snakemake_table/expected_output.md5 rename tests/{test_scripts_labkey_to_snakemake_api => test_scripts_prepare_inputs_labkey}/expected_output.md5 (100%) rename tests/{test_scripts_labkey_to_snakemake_api => test_scripts_prepare_inputs_labkey}/test.sh (91%) create mode 100644 tests/test_scripts_prepare_inputs_table/expected_output.md5 rename tests/{test_scripts_labkey_to_snakemake_table => test_scripts_prepare_inputs_table}/input_table.tsv (100%) rename tests/{test_scripts_labkey_to_snakemake_table => test_scripts_prepare_inputs_table}/test.sh (85%) diff --git a/.gitlab-ci.yml b/.gitlab-ci.yml index dfb1dd4..64fdc8f 100644 --- a/.gitlab-ci.yml +++ b/.gitlab-ci.yml @@ -12,8 +12,8 @@ test: # add code quality tests here # add unit tests here # add script tests here - #- bash tests/test_scripts_labkey_to_snakemake_table/test.sh - #- bash tests/test_scripts_labkey_to_snakemake_api/test.sh + - bash tests/test_scripts_prepare_inputs_table/test.sh + - bash tests/test_scripts_prepare_inputs_labkey/test.sh - bash tests/test_alfa/test.sh # add integration tests here - bash tests/test_create_dag_image/test.sh diff --git a/README.md b/README.md index c53835a..6c76bbc 100644 --- a/README.md +++ b/README.md @@ -254,10 +254,10 @@ replacing the placeholders with the appropriate values (check out the help screen with option '--help' for further options and information): ```bash - python scripts/labkey_to_snakemake.py \ + python scripts/prepare_inputs.py \ --labkey-domain="my.labkey.service.io" --labkey-domain="/my/project/path" - --input-to-output-mapping="scripts/labkey_to_snakemake.dict.tsv" \ + --input-to-output-mapping="scripts/prepare_inputs.labkey_to_snakemake.dict.tsv" \ --resources-dir="/path/to/my/genome/resources" \ --output-table="config/my_run/samples.tsv" \ --config_file="config/my_run/config.yaml" \ diff --git a/images/dag_test_workflow.svg b/images/dag_test_workflow.svg index bcd33c5..dcbb2f6 100644 --- a/images/dag_test_workflow.svg +++ b/images/dag_test_workflow.svg @@ -12,37 +12,37 @@ <!-- 0 --> <g id="node1" class="node"> <title>0</title> 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stroke="#c0c0c0" stroke-width="2" points="795.2606,-104.6377 784.7546,-106.0067 793.8213,-111.4881 795.2606,-104.6377"/> </g> <!-- 32->11 --> <g id="edge41" class="edge"> <title>32->11</title> -<path fill="none" stroke="#c0c0c0" stroke-width="2" d="M996.144,-143.8314C975.9956,-134.2874 951.1248,-122.5065 929.7917,-112.4013"/> -<polygon fill="#c0c0c0" stroke="#c0c0c0" stroke-width="2" points="931.1159,-109.1558 920.5802,-108.038 928.1193,-115.482 931.1159,-109.1558"/> +<path fill="none" stroke="#c0c0c0" stroke-width="2" d="M997.144,-143.8314C976.9956,-134.2874 952.1248,-122.5065 930.7917,-112.4013"/> +<polygon fill="#c0c0c0" stroke="#c0c0c0" stroke-width="2" points="932.1159,-109.1558 921.5802,-108.038 929.1193,-115.482 932.1159,-109.1558"/> </g> <!-- 32->12 --> <g id="edge43" class="edge"> <title>32->12</title> -<path fill="none" stroke="#c0c0c0" stroke-width="2" d="M1043.0796,-143.8314C1046.8358,-135.8771 1051.3257,-126.369 1055.4798,-117.5723"/> -<polygon fill="#c0c0c0" stroke="#c0c0c0" stroke-width="2" points="1058.6996,-118.9503 1059.8048,-108.4133 1052.3699,-115.9612 1058.6996,-118.9503"/> +<path fill="none" stroke="#c0c0c0" stroke-width="2" d="M1044.0796,-143.8314C1047.8358,-135.8771 1052.3257,-126.369 1056.4798,-117.5723"/> +<polygon fill="#c0c0c0" stroke="#c0c0c0" stroke-width="2" points="1059.6996,-118.9503 1060.8048,-108.4133 1053.3699,-115.9612 1059.6996,-118.9503"/> </g> <!-- 32->13 --> <g id="edge45" class="edge"> <title>32->13</title> -<path fill="none" stroke="#c0c0c0" stroke-width="2" d="M1091.2376,-143.9243C1122.4018,-133.9959 1161.2311,-121.6255 1193.8356,-111.2382"/> -<polygon fill="#c0c0c0" stroke="#c0c0c0" stroke-width="2" points="1195.2733,-114.4536 1203.739,-108.0831 1193.1484,-107.7839 1195.2733,-114.4536"/> +<path fill="none" stroke="#c0c0c0" stroke-width="2" d="M1092.2376,-143.9243C1123.4018,-133.9959 1162.2311,-121.6255 1194.8356,-111.2382"/> +<polygon fill="#c0c0c0" stroke="#c0c0c0" stroke-width="2" points="1196.2733,-114.4536 1204.739,-108.0831 1194.1484,-107.7839 1196.2733,-114.4536"/> </g> <!-- 33 --> <g id="node34" class="node"> <title>33</title> -<path fill="none" stroke="#56d8d8" stroke-width="2" d="M313,-838C313,-838 12,-838 12,-838 6,-838 0,-832 0,-826 0,-826 0,-809 0,-809 0,-803 6,-797 12,-797 12,-797 313,-797 313,-797 319,-797 325,-803 325,-809 325,-809 325,-826 325,-826 325,-832 319,-838 313,-838"/> +<path fill="none" stroke="#d8a456" stroke-width="2" d="M313,-838C313,-838 12,-838 12,-838 6,-838 0,-832 0,-826 0,-826 0,-809 0,-809 0,-803 6,-797 12,-797 12,-797 313,-797 313,-797 319,-797 325,-803 325,-809 325,-809 325,-826 325,-826 325,-832 319,-838 313,-838"/> <text text-anchor="middle" x="162.5" y="-826" font-family="sans" font-size="10.00" fill="#000000">start</text> <text text-anchor="middle" x="162.5" y="-815" font-family="sans" font-size="10.00" fill="#000000">mate: fq1</text> <text text-anchor="middle" x="162.5" y="-804" font-family="sans" font-size="10.00" fill="#000000">sample: synthetic_10_reads_paired_synthetic_10_reads_paired</text> @@ -557,7 +557,7 @@ <!-- 47 --> <g id="node48" class="node"> <title>47</title> -<path fill="none" stroke="#d8ac56" stroke-width="2" d="M409,-761C409,-761 266,-761 266,-761 260,-761 254,-755 254,-749 254,-749 254,-737 254,-737 254,-731 260,-725 266,-725 266,-725 409,-725 409,-725 415,-725 421,-731 421,-737 421,-737 421,-749 421,-749 421,-755 415,-761 409,-761"/> +<path fill="none" stroke="#97d856" stroke-width="2" d="M409,-761C409,-761 266,-761 266,-761 260,-761 254,-755 254,-749 254,-749 254,-737 254,-737 254,-731 260,-725 266,-725 266,-725 409,-725 409,-725 415,-725 421,-731 421,-737 421,-737 421,-749 421,-749 421,-755 415,-761 409,-761"/> <text text-anchor="middle" x="337.5" y="-740.5" font-family="sans" font-size="10.00" fill="#000000">pe_remove_adapters_cutadapt</text> </g> <!-- 33->47 --> @@ -569,7 +569,7 @@ <!-- 34 --> <g id="node35" class="node"> <title>34</title> -<path fill="none" stroke="#56d8d8" stroke-width="2" d="M676,-838C676,-838 363,-838 363,-838 357,-838 351,-832 351,-826 351,-826 351,-809 351,-809 351,-803 357,-797 363,-797 363,-797 676,-797 676,-797 682,-797 688,-803 688,-809 688,-809 688,-826 688,-826 688,-832 682,-838 676,-838"/> +<path fill="none" stroke="#d8a456" stroke-width="2" d="M676,-838C676,-838 363,-838 363,-838 357,-838 351,-832 351,-826 351,-826 351,-809 351,-809 351,-803 357,-797 363,-797 363,-797 676,-797 676,-797 682,-797 688,-803 688,-809 688,-809 688,-826 688,-826 688,-832 682,-838 676,-838"/> <text text-anchor="middle" x="519.5" y="-826" font-family="sans" font-size="10.00" fill="#000000">start</text> <text text-anchor="middle" x="519.5" y="-815" font-family="sans" font-size="10.00" fill="#000000">mate: fq1</text> <text text-anchor="middle" x="519.5" y="-804" font-family="sans" font-size="10.00" fill="#000000">sample: synthetic_10_reads_mate_1_synthetic_10_reads_mate_1</text> @@ -583,7 +583,7 @@ <!-- 49 --> <g id="node50" class="node"> <title>49</title> -<path fill="none" stroke="#56d85b" stroke-width="2" d="M583.5,-761C583.5,-761 457.5,-761 457.5,-761 451.5,-761 445.5,-755 445.5,-749 445.5,-749 445.5,-737 445.5,-737 445.5,-731 451.5,-725 457.5,-725 457.5,-725 583.5,-725 583.5,-725 589.5,-725 595.5,-731 595.5,-737 595.5,-737 595.5,-749 595.5,-749 595.5,-755 589.5,-761 583.5,-761"/> +<path fill="none" stroke="#56d8a9" stroke-width="2" d="M583.5,-761C583.5,-761 457.5,-761 457.5,-761 451.5,-761 445.5,-755 445.5,-749 445.5,-749 445.5,-737 445.5,-737 445.5,-731 451.5,-725 457.5,-725 457.5,-725 583.5,-725 583.5,-725 589.5,-725 595.5,-731 595.5,-737 595.5,-737 595.5,-749 595.5,-749 595.5,-755 589.5,-761 583.5,-761"/> <text text-anchor="middle" x="520.5" y="-740.5" font-family="sans" font-size="10.00" fill="#000000">remove_adapters_cutadapt</text> </g> <!-- 34->49 --> @@ -595,7 +595,7 @@ <!-- 35 --> <g id="node36" class="node"> <title>35</title> -<path fill="none" stroke="#56d8d8" stroke-width="2" d="M1070,-838C1070,-838 769,-838 769,-838 763,-838 757,-832 757,-826 757,-826 757,-809 757,-809 757,-803 763,-797 769,-797 769,-797 1070,-797 1070,-797 1076,-797 1082,-803 1082,-809 1082,-809 1082,-826 1082,-826 1082,-832 1076,-838 1070,-838"/> +<path fill="none" stroke="#d8a456" stroke-width="2" d="M1070,-838C1070,-838 769,-838 769,-838 763,-838 757,-832 757,-826 757,-826 757,-809 757,-809 757,-803 763,-797 769,-797 769,-797 1070,-797 1070,-797 1076,-797 1082,-803 1082,-809 1082,-809 1082,-826 1082,-826 1082,-832 1076,-838 1070,-838"/> <text text-anchor="middle" x="919.5" y="-826" font-family="sans" font-size="10.00" fill="#000000">start</text> <text text-anchor="middle" x="919.5" y="-815" font-family="sans" font-size="10.00" fill="#000000">mate: fq2</text> <text text-anchor="middle" x="919.5" y="-804" font-family="sans" font-size="10.00" fill="#000000">sample: synthetic_10_reads_paired_synthetic_10_reads_paired</text> @@ -615,20 +615,20 @@ <!-- 36 --> <g id="node37" class="node"> <title>36</title> -<path fill="none" stroke="#56d8c9" stroke-width="2" d="M401.5,-686.5C401.5,-686.5 273.5,-686.5 273.5,-686.5 267.5,-686.5 261.5,-680.5 261.5,-674.5 261.5,-674.5 261.5,-662.5 261.5,-662.5 261.5,-656.5 267.5,-650.5 273.5,-650.5 273.5,-650.5 401.5,-650.5 401.5,-650.5 407.5,-650.5 413.5,-656.5 413.5,-662.5 413.5,-662.5 413.5,-674.5 413.5,-674.5 413.5,-680.5 407.5,-686.5 401.5,-686.5"/> +<path fill="none" stroke="#d6d856" stroke-width="2" d="M401.5,-686.5C401.5,-686.5 273.5,-686.5 273.5,-686.5 267.5,-686.5 261.5,-680.5 261.5,-674.5 261.5,-674.5 261.5,-662.5 261.5,-662.5 261.5,-656.5 267.5,-650.5 273.5,-650.5 273.5,-650.5 401.5,-650.5 401.5,-650.5 407.5,-650.5 413.5,-656.5 413.5,-662.5 413.5,-662.5 413.5,-674.5 413.5,-674.5 413.5,-680.5 407.5,-686.5 401.5,-686.5"/> <text text-anchor="middle" x="337.5" y="-666" font-family="sans" font-size="10.00" fill="#000000">pe_remove_polya_cutadapt</text> </g> <!-- 36->17 --> <g id="edge49" class="edge"> <title>36->17</title> -<path 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254.5,-522 254.5,-522 254.5,-306 254.5,-265.2078 241.9874,-243.0737 272.5,-216 310.8481,-181.974 681.4824,-185.0552 732.5,-180 754.7947,-177.7909 778.9112,-175.052 801.1518,-172.3828"/> -<polygon fill="#c0c0c0" stroke="#c0c0c0" stroke-width="2" points="801.7182,-175.8399 811.2251,-171.1635 800.877,-168.8906 801.7182,-175.8399"/> +<path fill="none" stroke="#c0c0c0" stroke-width="2" d="M319.0796,-650.4784C294.6271,-624.5348 254.5,-574.0336 254.5,-522 254.5,-522 254.5,-522 254.5,-306 254.5,-265.1184 242.7763,-242.9697 273.5,-216 312.0289,-182.1788 682.4824,-185.0552 733.5,-180 755.6815,-177.8021 779.6664,-175.0798 801.8129,-172.4235"/> +<polygon fill="#c0c0c0" stroke="#c0c0c0" stroke-width="2" points="802.3387,-175.8855 811.8459,-171.2098 801.4979,-168.9361 802.3387,-175.8855"/> </g> <!-- 36->59 --> <g id="edge106" class="edge"> @@ -639,38 +639,38 @@ <!-- 37 --> <g id="node38" class="node"> <title>37</title> -<path fill="none" stroke="#88d856" stroke-width="2" d="M430,-324C430,-324 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stroke="#c0c0c0" stroke-width="2" d="M380.2383,-287.8314C379.7035,-280.131 379.0677,-270.9743 378.4734,-262.4166"/> +<polygon fill="#c0c0c0" stroke="#c0c0c0" stroke-width="2" points="381.9632,-262.1467 377.7787,-252.4133 374.98,-262.6317 381.9632,-262.1467"/> </g> <!-- 37->18 --> <g id="edge52" class="edge"> <title>37->18</title> -<path fill="none" stroke="#c0c0c0" stroke-width="2" d="M429.6974,-287.8314C455.6966,-278.0306 487.9536,-265.8709 515.2281,-255.5894"/> -<polygon fill="#c0c0c0" stroke="#c0c0c0" stroke-width="2" points="516.5266,-258.8404 524.6492,-252.038 514.0574,-252.2904 516.5266,-258.8404"/> +<path fill="none" stroke="#c0c0c0" stroke-width="2" d="M429.9497,-287.8314C456.0851,-278.0306 488.5109,-265.8709 515.9283,-255.5894"/> +<polygon fill="#c0c0c0" stroke="#c0c0c0" stroke-width="2" points="517.2643,-258.8264 525.3987,-252.038 514.8064,-252.2721 517.2643,-258.8264"/> </g> <!-- 38 --> <g id="node39" class="node"> <title>38</title> -<path fill="none" stroke="#c6d856" stroke-width="2" d="M577.5,-686.5C577.5,-686.5 467.5,-686.5 467.5,-686.5 461.5,-686.5 455.5,-680.5 455.5,-674.5 455.5,-674.5 455.5,-662.5 455.5,-662.5 455.5,-656.5 461.5,-650.5 467.5,-650.5 467.5,-650.5 577.5,-650.5 577.5,-650.5 583.5,-650.5 589.5,-656.5 589.5,-662.5 589.5,-662.5 589.5,-674.5 589.5,-674.5 589.5,-680.5 583.5,-686.5 577.5,-686.5"/> +<path fill="none" stroke="#d8ac56" stroke-width="2" d="M577.5,-686.5C577.5,-686.5 467.5,-686.5 467.5,-686.5 461.5,-686.5 455.5,-680.5 455.5,-674.5 455.5,-674.5 455.5,-662.5 455.5,-662.5 455.5,-656.5 461.5,-650.5 467.5,-650.5 467.5,-650.5 577.5,-650.5 577.5,-650.5 583.5,-650.5 589.5,-656.5 589.5,-662.5 589.5,-662.5 589.5,-674.5 589.5,-674.5 589.5,-680.5 583.5,-686.5 577.5,-686.5"/> <text text-anchor="middle" x="522.5" y="-666" font-family="sans" font-size="10.00" fill="#000000">remove_polya_cutadapt</text> </g> <!-- 38->18 --> <g id="edge51" class="edge"> <title>38->18</title> -<path fill="none" stroke="#c0c0c0" stroke-width="2" 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class="edge"> +<g id="edge5" class="edge"> <title>10->1</title> <path fill="none" stroke="#c0c0c0" stroke-width="2" d="M357.0155,-143.9243C322.3749,-132.7399 278.1361,-118.4565 243.8922,-107.4002"/> <polygon fill="#c0c0c0" stroke="#c0c0c0" stroke-width="2" points="244.654,-103.9683 234.0623,-104.2264 242.5032,-110.6297 244.654,-103.9683"/> @@ -138,7 +138,7 @@ <!-- 11 --> <g id="node12" class="node"> <title>11</title> -<path fill="none" stroke="#d88556" stroke-width="2" d="M689,-324C689,-324 623,-324 623,-324 617,-324 611,-318 611,-312 611,-312 611,-300 611,-300 611,-294 617,-288 623,-288 623,-288 689,-288 689,-288 695,-288 701,-294 701,-300 701,-300 701,-312 701,-312 701,-318 695,-324 689,-324"/> +<path fill="none" stroke="#56d86b" stroke-width="2" d="M689,-324C689,-324 623,-324 623,-324 617,-324 611,-318 611,-312 611,-312 611,-300 611,-300 611,-294 617,-288 623,-288 623,-288 689,-288 689,-288 695,-288 701,-294 701,-300 701,-300 701,-312 701,-312 701,-318 695,-324 689,-324"/> <text 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font-family="sans" font-size="10.00" fill="#000000">pe_quantification_salmon</text> </g> <!-- 13->3 --> @@ -228,7 +228,7 @@ <!-- 14 --> <g id="node15" class="node"> <title>14</title> -<path fill="none" stroke="#c6d856" stroke-width="2" d="M1069.5,-540C1069.5,-540 968.5,-540 968.5,-540 962.5,-540 956.5,-534 956.5,-528 956.5,-528 956.5,-516 956.5,-516 956.5,-510 962.5,-504 968.5,-504 968.5,-504 1069.5,-504 1069.5,-504 1075.5,-504 1081.5,-510 1081.5,-516 1081.5,-516 1081.5,-528 1081.5,-528 1081.5,-534 1075.5,-540 1069.5,-540"/> +<path fill="none" stroke="#56a2d8" stroke-width="2" d="M1069.5,-540C1069.5,-540 968.5,-540 968.5,-540 962.5,-540 956.5,-534 956.5,-528 956.5,-528 956.5,-516 956.5,-516 956.5,-510 962.5,-504 968.5,-504 968.5,-504 1069.5,-504 1069.5,-504 1075.5,-504 1081.5,-510 1081.5,-516 1081.5,-516 1081.5,-528 1081.5,-528 1081.5,-534 1075.5,-540 1069.5,-540"/> <text text-anchor="middle" x="1019" y="-519.5" font-family="sans" font-size="10.00" fill="#000000">quantification_salmon</text> </g> <!-- 14->3 --> @@ -246,19 +246,19 @@ <!-- 15 --> <g id="node16" class="node"> <title>15</title> -<path fill="none" stroke="#56b1d8" stroke-width="2" d="M309,-828C309,-828 279,-828 279,-828 273,-828 267,-822 267,-816 267,-816 267,-804 267,-804 267,-798 273,-792 279,-792 279,-792 309,-792 309,-792 315,-792 321,-798 321,-804 321,-804 321,-816 321,-816 321,-822 315,-828 309,-828"/> +<path fill="none" stroke="#c6d856" stroke-width="2" d="M309,-828C309,-828 279,-828 279,-828 273,-828 267,-822 267,-816 267,-816 267,-804 267,-804 267,-798 273,-792 279,-792 279,-792 309,-792 309,-792 315,-792 321,-798 321,-804 321,-804 321,-816 321,-816 321,-822 315,-828 309,-828"/> <text text-anchor="middle" x="294" y="-807.5" font-family="sans" font-size="10.00" fill="#000000">start</text> </g> <!-- 15->5 --> <g id="edge17" class="edge"> <title>15->5</title> -<path fill="none" stroke="#c0c0c0" stroke-width="2" d="M266.9948,-808.5749C196.9765,-803.2851 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331.5,-372 331.5,-372 331.5,-384 331.5,-384 331.5,-390 325.5,-396 319.5,-396"/> +<path fill="none" stroke="#d85656" stroke-width="2" d="M319.5,-396C319.5,-396 236.5,-396 236.5,-396 230.5,-396 224.5,-390 224.5,-384 224.5,-384 224.5,-372 224.5,-372 224.5,-366 230.5,-360 236.5,-360 236.5,-360 319.5,-360 319.5,-360 325.5,-360 331.5,-366 331.5,-372 331.5,-372 331.5,-384 331.5,-384 331.5,-390 325.5,-396 319.5,-396"/> <text text-anchor="middle" x="278" y="-375.5" font-family="sans" font-size="10.00" fill="#000000">merge_TIN_scores</text> </g> <!-- 19->8 --> @@ -360,7 +360,7 @@ <!-- 20 --> <g id="node21" class="node"> <title>20</title> -<path fill="none" stroke="#d87556" stroke-width="2" d="M518,-252C518,-252 426,-252 426,-252 420,-252 414,-246 414,-240 414,-240 414,-228 414,-228 414,-222 420,-216 426,-216 426,-216 518,-216 518,-216 524,-216 530,-222 530,-228 530,-228 530,-240 530,-240 530,-246 524,-252 518,-252"/> +<path fill="none" stroke="#56d88a" stroke-width="2" d="M518,-252C518,-252 426,-252 426,-252 420,-252 414,-246 414,-240 414,-240 414,-228 414,-228 414,-222 420,-216 426,-216 426,-216 518,-216 518,-216 524,-216 530,-222 530,-228 530,-228 530,-240 530,-240 530,-246 524,-252 518,-252"/> <text text-anchor="middle" x="472" y="-231.5" font-family="sans" font-size="10.00" fill="#000000">alfa_qc_all_samples</text> </g> <!-- 20->9 --> @@ -372,7 +372,7 @@ <!-- 21 --> <g id="node22" class="node"> <title>21</title> -<path fill="none" stroke="#d85656" stroke-width="2" d="M591,-396C591,-396 469,-396 469,-396 463,-396 457,-390 457,-384 457,-384 457,-372 457,-372 457,-366 463,-360 469,-360 469,-360 591,-360 591,-360 597,-360 603,-366 603,-372 603,-372 603,-384 603,-384 603,-390 597,-396 591,-396"/> +<path fill="none" stroke="#56d8b9" stroke-width="2" d="M591,-396C591,-396 469,-396 469,-396 463,-396 457,-390 457,-384 457,-384 457,-372 457,-372 457,-366 463,-360 469,-360 469,-360 591,-360 591,-360 597,-360 603,-366 603,-372 603,-372 603,-384 603,-384 603,-390 597,-396 591,-396"/> <text text-anchor="middle" x="530" y="-375.5" font-family="sans" font-size="10.00" fill="#000000">rename_star_rpm_for_alfa</text> </g> <!-- 21->11 --> @@ -384,17 +384,17 @@ <!-- 27 --> <g id="node28" class="node"> <title>27</title> -<path fill="none" stroke="#56d8a9" stroke-width="2" d="M545,-324C545,-324 515,-324 515,-324 509,-324 503,-318 503,-312 503,-312 503,-300 503,-300 503,-294 509,-288 515,-288 515,-288 545,-288 545,-288 551,-288 557,-294 557,-300 557,-300 557,-312 557,-312 557,-318 551,-324 545,-324"/> +<path fill="none" stroke="#97d856" stroke-width="2" d="M545,-324C545,-324 515,-324 515,-324 509,-324 503,-318 503,-312 503,-312 503,-300 503,-300 503,-294 509,-288 515,-288 515,-288 545,-288 545,-288 551,-288 557,-294 557,-300 557,-300 557,-312 557,-312 557,-318 551,-324 545,-324"/> <text text-anchor="middle" x="530" y="-303.5" font-family="sans" font-size="10.00" fill="#000000">alfa_qc</text> </g> <!-- 21->27 --> -<g id="edge43" class="edge"> +<g id="edge44" class="edge"> <title>21->27</title> <path fill="none" stroke="#c0c0c0" stroke-width="2" d="M530,-359.8314C530,-352.131 530,-342.9743 530,-334.4166"/> <polygon fill="#c0c0c0" stroke="#c0c0c0" stroke-width="2" points="533.5001,-334.4132 530,-324.4133 526.5001,-334.4133 533.5001,-334.4132"/> </g> <!-- 22->13 --> -<g id="edge26" class="edge"> +<g id="edge25" class="edge"> <title>22->13</title> <path fill="none" stroke="#c0c0c0" stroke-width="2" d="M914.1024,-575.8314C906.7722,-567.454 897.934,-557.3531 889.9031,-548.1749"/> <polygon fill="#c0c0c0" stroke="#c0c0c0" stroke-width="2" points="892.3307,-545.6343 883.1116,-540.4133 887.0627,-550.2438 892.3307,-545.6343"/> @@ -414,7 +414,7 @@ <!-- 24 --> <g id="node25" class="node"> <title>24</title> -<path fill="none" stroke="#5692d8" stroke-width="2" d="M508.5,-756C508.5,-756 407.5,-756 407.5,-756 401.5,-756 395.5,-750 395.5,-744 395.5,-744 395.5,-732 395.5,-732 395.5,-726 401.5,-720 407.5,-720 407.5,-720 508.5,-720 508.5,-720 514.5,-720 520.5,-726 520.5,-732 520.5,-732 520.5,-744 520.5,-744 520.5,-750 514.5,-756 508.5,-756"/> +<path fill="none" stroke="#88d856" stroke-width="2" d="M508.5,-756C508.5,-756 407.5,-756 407.5,-756 401.5,-756 395.5,-750 395.5,-744 395.5,-744 395.5,-732 395.5,-732 395.5,-726 401.5,-720 407.5,-720 407.5,-720 508.5,-720 508.5,-720 514.5,-720 520.5,-726 520.5,-732 520.5,-732 520.5,-744 520.5,-744 520.5,-750 514.5,-756 508.5,-756"/> <text text-anchor="middle" x="458" y="-735.5" font-family="sans" font-size="10.00" fill="#000000">extract_transcriptome</text> </g> <!-- 24->17 --> @@ -426,7 +426,7 @@ <!-- 29 --> <g id="node30" class="node"> <title>29</title> -<path fill="none" stroke="#70d856" stroke-width="2" d="M1027,-684C1027,-684 833,-684 833,-684 827,-684 821,-678 821,-672 821,-672 821,-660 821,-660 821,-654 827,-648 833,-648 833,-648 1027,-648 1027,-648 1033,-648 1039,-654 1039,-660 1039,-660 1039,-672 1039,-672 1039,-678 1033,-684 1027,-684"/> +<path fill="none" stroke="#56d8d8" 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231.5,-444 231.5,-438 237.5,-432 243.5,-432 243.5,-432 338.5,-432 338.5,-432 344.5,-432 350.5,-438 350.5,-444 350.5,-444 350.5,-456 350.5,-456 350.5,-462 344.5,-468 338.5,-468"/> <text text-anchor="middle" x="291" y="-447.5" font-family="sans" font-size="10.00" fill="#000000">calculate_TIN_scores</text> </g> <!-- 26->19 --> @@ -462,7 +462,7 @@ <!-- 28 --> <g id="node29" class="node"> <title>28</title> -<path fill="none" stroke="#d8a456" stroke-width="2" d="M609,-468C609,-468 573,-468 573,-468 567,-468 561,-462 561,-456 561,-456 561,-444 561,-444 561,-438 567,-432 573,-432 573,-432 609,-432 609,-432 615,-432 621,-438 621,-444 621,-444 621,-456 621,-456 621,-462 615,-468 609,-468"/> +<path fill="none" stroke="#56d8a9" stroke-width="2" d="M609,-468C609,-468 573,-468 573,-468 567,-468 561,-462 561,-456 561,-456 561,-444 561,-444 561,-438 567,-432 573,-432 573,-432 609,-432 609,-432 615,-432 621,-438 621,-444 621,-444 621,-456 621,-456 621,-462 615,-468 609,-468"/> <text text-anchor="middle" x="591" y="-447.5" font-family="sans" font-size="10.00" fill="#000000">star_rpm</text> </g> <!-- 28->21 --> @@ -472,13 +472,13 @@ <polygon fill="#c0c0c0" stroke="#c0c0c0" stroke-width="2" points="554.7348,-401.7807 545.6001,-396.4133 549.3939,-406.3056 554.7348,-401.7807"/> </g> <!-- 29->22 --> -<g id="edge36" class="edge"> +<g id="edge35" class="edge"> <title>29->22</title> <path fill="none" stroke="#c0c0c0" stroke-width="2" d="M930,-647.8314C930,-640.131 930,-630.9743 930,-622.4166"/> <polygon fill="#c0c0c0" stroke="#c0c0c0" stroke-width="2" points="933.5001,-622.4132 930,-612.4133 926.5001,-622.4133 933.5001,-622.4132"/> </g> <!-- 30->26 --> -<g id="edge40" class="edge"> +<g id="edge41" class="edge"> <title>30->26</title> <path fill="none" stroke="#c0c0c0" stroke-width="2" d="M436.2442,-577.9722C433.1239,-577.2817 430.0296,-576.6199 427,-576 377.3918,-565.85 234.8551,-578.5298 202,-540 191.6184,-527.8253 194.1512,-517.9426 202,-504 209.2034,-491.2038 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<title>32</title> -<path fill="none" stroke="#61d856" stroke-width="2" d="M359,-540C359,-540 223,-540 223,-540 217,-540 211,-534 211,-528 211,-528 211,-516 211,-516 211,-510 217,-504 223,-504 223,-504 359,-504 359,-504 365,-504 371,-510 371,-516 371,-516 371,-528 371,-528 371,-534 365,-540 359,-540"/> +<path fill="none" stroke="#56d85b" stroke-width="2" d="M359,-540C359,-540 223,-540 223,-540 217,-540 211,-534 211,-528 211,-528 211,-516 211,-516 211,-510 217,-504 223,-504 223,-504 359,-504 359,-504 365,-504 371,-510 371,-516 371,-516 371,-528 371,-528 371,-534 365,-540 359,-540"/> <text text-anchor="middle" x="291" y="-519.5" font-family="sans" font-size="10.00" fill="#000000">extract_transcripts_as_bed12</text> </g> <!-- 32->26 --> -<g id="edge41" class="edge"> +<g id="edge39" class="edge"> <title>32->26</title> <path fill="none" stroke="#c0c0c0" stroke-width="2" d="M291,-503.8314C291,-496.131 291,-486.9743 291,-478.4166"/> <polygon fill="#c0c0c0" stroke="#c0c0c0" stroke-width="2" points="294.5001,-478.4132 291,-468.4133 287.5001,-478.4133 294.5001,-478.4132"/> </g> <!-- 33->26 --> -<g id="edge39" class="edge"> +<g id="edge42" class="edge"> <title>33->26</title> <path fill="none" stroke="#c0c0c0" stroke-width="2" d="M630.2977,-575.6979C626.2231,-554.9601 616.4396,-521.746 594,-504 558.7533,-476.1257 439.0231,-461.5688 361.0402,-454.8624"/> <polygon fill="#c0c0c0" stroke="#c0c0c0" stroke-width="2" points="361.0572,-451.3517 350.8003,-454.0061 360.4738,-458.3274 361.0572,-451.3517"/> </g> <!-- 33->28 --> -<g id="edge45" class="edge"> +<g id="edge47" class="edge"> <title>33->28</title> <path fill="none" stroke="#c0c0c0" stroke-width="2" d="M647.947,-575.85C661.321,-557.2624 677.0963,-527.8017 665,-504 657.4342,-489.1129 643.6258,-477.3535 629.9685,-468.6606"/> <polygon fill="#c0c0c0" stroke="#c0c0c0" stroke-width="2" points="631.4689,-465.4812 621.0827,-463.3889 627.8972,-471.5014 631.4689,-465.4812"/> @@ -544,7 +544,7 @@ <polygon fill="#c0c0c0" stroke="#c0c0c0" stroke-width="2" points="534.0938,-541.3219 523.577,-540.038 530.9977,-547.6 534.0938,-541.3219"/> </g> <!-- 34->27 --> -<g id="edge44" class="edge"> +<g id="edge43" class="edge"> <title>34->27</title> <path fill="none" stroke="#c0c0c0" stroke-width="2" d="M641.401,-359.8314C618.3665,-348.7006 589.0355,-334.5272 566.2526,-323.5181"/> <polygon fill="#c0c0c0" stroke="#c0c0c0" stroke-width="2" points="567.7689,-320.3636 557.2422,-319.164 564.7233,-326.6663 567.7689,-320.3636"/> diff --git a/scripts/labkey_to_snakemake.dict.tsv b/scripts/prepare_inputs.labkey_to_snakemake.dict.tsv similarity index 100% rename from scripts/labkey_to_snakemake.dict.tsv rename to scripts/prepare_inputs.labkey_to_snakemake.dict.tsv diff --git a/scripts/labkey_to_snakemake.py b/scripts/prepare_inputs.py similarity index 96% rename from scripts/labkey_to_snakemake.py rename to scripts/prepare_inputs.py index 6cce1e4..4ac90ab 100755 --- a/scripts/labkey_to_snakemake.py +++ b/scripts/prepare_inputs.py @@ -3,6 +3,7 @@ """Create input table and config for Rhea.""" import argparse +from functools import partial import gzip import logging import math @@ -17,244 +18,6 @@ import pandas as pd logger = logging.getLogger(__name__) -def main(): - """ - Create input table and config for Rhea. - """ - args = parse_cli_args() - - setup_logging( - logger=logger, - verbose=args.verbose, - debug=args.debug, - ) - - # get input table from LabKey or CLI - if args.labkey_domain: - logger.info( - f"Fetching input table from LabKey instance " - "'{args.labkey_domain}'..." - ) - input_table = fetch_labkey_table( - domain=args.labkey_domain, - container_path=args.labkey_path, - query_name=args.table, - ) - labkey_table = expand_path( - '.'.join([args.output_table.name, "labkey"]) - ) - input_table.to_csv( - labkey_table, - sep='\t', - index=False, - ) - from_api = True - else: - logger.info(f"Reading input table from file '{args.table}'...") - input_table = pd.read_csv( - args.table, - header=0, - sep='\t', - index_col=None, - comment='#', - engine='python', - ) - from_api = False - - # get LabKey to Snakemake sample table field mappings - input_dict = pd.read_csv( - args.input_to_output_mapping, - header=0, - sep='\t', - index_col=None, - comment='#', - engine='python', - ) - args.input_to_output_mapping.close() - input_dict.set_index('snakemake', inplace=True, drop=True) - - # create Snakemake table - logger.info("Creating Snakemake input table...") - snakemake_table = pd.DataFrame() - - for index, row in input_table.iterrows(): - - # extract data from LabKey-like table - lk_replicate_name = row[input_dict.loc['replicate_name', 'labkey']] - lk_condition = row[input_dict.loc['condition', 'labkey']] - lk_seqmode = row[input_dict.loc['seqmode', 'labkey']] - lk_fastq_path = row[input_dict.loc['fastq_path', 'labkey']] - lk_fq1 = row[input_dict.loc['fq1', 'labkey']] - lk_fq2 = row[input_dict.loc['fq2', 'labkey']] - lk_fq1_3p = row[input_dict.loc['fq1_3p', 'labkey']] - lk_fq1_5p = row[input_dict.loc['fq1_5p', 'labkey']] - lk_fq2_3p = row[input_dict.loc['fq2_3p', 'labkey']] - lk_fq2_5p = row[input_dict.loc['fq2_5p', 'labkey']] - lk_organism = row[input_dict.loc['organism', 'labkey']] - lk_sd = row[input_dict.loc['sd', 'labkey']] - lk_mean = row[input_dict.loc['mean', 'labkey']] - lk_mate1_direction = row[input_dict.loc['mate1_direction', 'labkey']] - lk_mate2_direction = row[input_dict.loc['mate2_direction', 'labkey']] - - # extract, infer or convert to Snakemake input format - if from_api and not os.path.isabs(lk_fastq_path): - anchor = os.getcwd() - logger.warning( - f"[WARNING] Don't know how to interpret relative paths " - "inside LabKey table. Trying with current working directory " - f"'{anchor}' as an anchor, but it may be better to use" - "absolute paths wherever possible..." - ) - else: - anchor = os.path.abspath(os.path.dirname(args.table)) - sample = "_".join([lk_replicate_name, lk_condition]) - if lk_seqmode == 'PAIRED': - seqmode = 'pe' - fq2 = expand_path( - lk_fastq_path, - lk_fq2, - anchor=anchor, - ) - elif lk_seqmode == 'SINGLE': - seqmode = 'se' - fq2 = "XXXXXXXXXXXXXXX" - else: - logger.error( - f"[ERROR] Illegal sequencing mode '{lk_seqmode}' in row " - f"{index+1}." - ) - sys.exit("Execution aborted.") - fq1 = expand_path( - lk_fastq_path, - lk_fq1, - anchor=anchor, - ) - read_length = get_read_length(fq1) - index_size = read_length - 1 - kmer = kmer_from_read_length(read_length) - fq1_3p = lk_fq1_3p - fq1_5p = lk_fq1_5p - fq2_3p = lk_fq2_3p - fq2_5p = lk_fq2_5p - organism = lk_organism.replace(' ', '_').lower() - gtf = expand_path( - args.resources_dir, - organism, - 'annotation.gtf', - ) - genome = expand_path( - args.resources_dir, - organism, - 'genome.fa', - ) - sd = lk_sd - mean = lk_mean - fq1_polya_3p, fq1_polya_5p = get_polya_adapter_seqs(lk_mate1_direction) - fq2_polya_3p, fq2_polya_5p = get_polya_adapter_seqs(lk_mate2_direction) - kallisto_directionality = get_strand_param_kallisto(lk_mate1_direction) - alfa_directionality = get_strand_param_alfa(lk_mate1_direction) - alfa_plus, alfa_minus = get_strand_names_alfa(lk_mate1_direction) - - # construct row in Snakemake input table - snakemake_table.loc[index, 'sample'] = sample - snakemake_table.loc[index, 'seqmode'] = seqmode - snakemake_table.loc[index, 'fq1'] = fq1 - snakemake_table.loc[index, 'fq2'] = fq2 - snakemake_table.loc[index, 'index_size'] = index_size - snakemake_table.loc[index, 'kmer'] = kmer - snakemake_table.loc[index, 'fq1_3p'] = fq1_3p - snakemake_table.loc[index, 'fq1_5p'] = fq1_5p - snakemake_table.loc[index, 'fq2_3p'] = fq2_3p - snakemake_table.loc[index, 'fq2_5p'] = fq2_5p - snakemake_table.loc[index, 'organism'] = organism - snakemake_table.loc[index, 'gtf'] = gtf - snakemake_table.loc[index, 'genome'] = genome - snakemake_table.loc[index, 'sd'] = sd - snakemake_table.loc[index, 'mean'] = mean - snakemake_table.loc[index, 'kallisto_directionality'] = \ - kallisto_directionality - snakemake_table.loc[index, 'alfa_directionality'] = alfa_directionality - snakemake_table.loc[index, 'alfa_plus'] = alfa_plus - snakemake_table.loc[index, 'alfa_minus'] = alfa_minus - - # add CLI argument-dependent parameters - snakemake_table.loc[index, 'multimappers'] = args.multimappers - snakemake_table.loc[index, 'soft_clip'] = args.soft_clip - snakemake_table.loc[index, 'pass_mode'] = args.pass_mode - snakemake_table.loc[index, 'libtype'] = args.libtype - if args.trim_polya is True: - snakemake_table.loc[index, 'fq1_polya_3p'] = fq1_polya_3p - snakemake_table.loc[index, 'fq1_polya_5p'] = fq1_polya_5p - snakemake_table.loc[index, 'fq2_polya_3p'] = fq2_polya_3p - snakemake_table.loc[index, 'fq2_polya_5p'] = fq2_polya_5p - - # adjust sample table format - snakemake_table.fillna('XXXXXXXXXXXXXXX', inplace=True) - snakemake_table = snakemake_table.astype( - { - "sd": int, - "mean": int, - "multimappers": int, - "kmer": int, - "index_size": int, - } - ) - - # write Snakemake sample table - logger.info("Writing Snakemake input table...") - snakemake_table.to_csv( - args.output_table, - sep='\t', - header=True, - index=False) - args.output_table.close() - - # compile entries for Snakemake config file - logger.info("Creating Snakemake config file...") - results_dir = expand_path( - args.output_dir, - "results", - ) - log_dir = expand_path( - args.output_dir, - "logs", - ) - kallisto_indexes = expand_path( - results_dir, - "kallisto_indexes", - ) - salmon_indexes = expand_path( - results_dir, - "salmon_indexes", - ) - star_indexes = expand_path( - results_dir, - "star_indexes", - ) - alfa_indexes = expand_path( - results_dir, - "alfa_indexes", - ) - - # write Snakemake config file - logger.info("Writing Snakemake config file...") - config_file_content = f'''--- - samples: "{expand_path(args.output_table.name)}" - output_dir: "{results_dir}" - log_dir: "{log_dir}" - kallisto_indexes: "{kallisto_indexes}" - salmon_indexes: "{salmon_indexes}" - star_indexes: "{star_indexes}" - alfa_indexes: "{alfa_indexes}" - report_description: "{args.description}" - report_logo: "{args.logo}" - report_url: "{args.url}" -... -''' - args.config_file.write(config_file_content) - args.config_file.close() - - def parse_cli_args() -> argparse.Namespace: """ Parses command line arguments. @@ -298,7 +61,7 @@ def parse_cli_args() -> argparse.Namespace: type=argparse.FileType('r'), default=os.path.join( os.path.dirname(__file__), - 'labkey_to_snakemake.dict.tsv', + 'prepare_inputs.labkey_to_snakemake.dict.tsv', ), help="lookup table with mappings from input (LabKey or LabKey-like) " "to output (Snakemake) table; default: '%(default)s'", @@ -335,6 +98,12 @@ def parse_cli_args() -> argparse.Namespace: "(default: %(default)s)", metavar="DIR", ) + parser.add_argument( + "--no-process-paths", + action="store_true", + default=False, + help="do not attempt to create absolute paths in output files", + ) behavior = parser.add_argument_group("workflow behavior") behavior.add_argument( @@ -415,7 +184,7 @@ def parse_cli_args() -> argparse.Namespace: if args.logo: args.logo.close() - args.logo = os.path.abspath(args.logo.name) + args.logo = args.logo.name else: args.logo = "" @@ -510,7 +279,7 @@ def get_read_length(file: str) -> int: def kmer_from_read_length( - l: int, + length: int, k_max: int = 31, k_min: int = 11, ) -> int: @@ -523,7 +292,7 @@ def kmer_from_read_length( https://salmon.readthedocs.io/en/latest/salmon.html#preparing-transcriptome-indices-mapping-based-mode https://groups.google.com/d/msg/sailfish-users/fphjX7OIGzY/bMBwlCaZAgAJ - :param l: length of read in nucleotides + :param length: length of read in nucleotides :param k_max: maximum allowed k-mer size :param k_min: minimum allowed k-mer size @@ -531,9 +300,9 @@ def kmer_from_read_length( where k is biggest odd integer that fulfills k < l / 2 """ k = k_max - if l < 2 * k_max + 1: + if length < 2 * k_max + 1: # ensure kmer is smaller than half of read length - k = math.floor((l - 1) / 2) + k = math.floor((length - 1) / 2) # ensure kmer is odd if not k % 2: k -= 1 @@ -639,6 +408,7 @@ def expand_path( *args: str, anchor: str = os.getcwd(), expand: bool = True, + no_abs: bool = False, ) -> str: """ Constructs absolute path. @@ -654,10 +424,14 @@ def expand_path( the path will be returned without considering the anchor :param expand: whether environment variables and user directories (e.g, `~`) shall be expanded + :param join_only: path fragments in args are joined, but no further + processing is done :returns: absolute path """ suffix = os.path.join(*args) + if no_abs: + return suffix if os.path.isabs(suffix): return os.path.normpath(suffix) if expand: @@ -668,17 +442,257 @@ def expand_path( ) if os.path.isabs(suffix): return os.path.normpath(suffix) - if expand: - anchor = os.path.expanduser( - os.path.expandvars( - anchor - ) + anchor = os.path.expanduser( + os.path.expandvars( + anchor ) + ) path = os.path.join(anchor, suffix) return os.path.normpath(path) +def main(args): + """ + Create input table and config for Rhea. + """ + setup_logging( + logger=logger, + verbose=args.verbose, + debug=args.debug, + ) + + # get input table from LabKey or CLI + if args.labkey_domain: + logger.info( + f"Fetching input table from LabKey instance " + "'{args.labkey_domain}'..." + ) + input_table = fetch_labkey_table( + domain=args.labkey_domain, + container_path=args.labkey_path, + query_name=args.table, + ) + labkey_table = expand_path( + '.'.join([args.output_table.name, "labkey"]) + ) + input_table.to_csv( + labkey_table, + sep='\t', + index=False, + ) + from_api = True + else: + logger.info(f"Reading input table from file '{args.table}'...") + input_table = pd.read_csv( + args.table, + header=0, + sep='\t', + index_col=None, + comment='#', + engine='python', + ) + from_api = False + + # get LabKey to Snakemake sample table field mappings + input_dict = pd.read_csv( + args.input_to_output_mapping, + header=0, + sep='\t', + index_col=None, + comment='#', + engine='python', + ) + args.input_to_output_mapping.close() + input_dict.set_index('snakemake', inplace=True, drop=True) + + # create Snakemake table + logger.info("Creating Snakemake input table...") + snakemake_table = pd.DataFrame() + + for index, row in input_table.iterrows(): + + # extract data from LabKey-like table + lk_replicate_name = row[input_dict.loc['replicate_name', 'labkey']] + lk_condition = row[input_dict.loc['condition', 'labkey']] + lk_seqmode = row[input_dict.loc['seqmode', 'labkey']] + lk_fastq_path = row[input_dict.loc['fastq_path', 'labkey']] + lk_fq1 = row[input_dict.loc['fq1', 'labkey']] + lk_fq2 = row[input_dict.loc['fq2', 'labkey']] + lk_fq1_3p = row[input_dict.loc['fq1_3p', 'labkey']] + lk_fq1_5p = row[input_dict.loc['fq1_5p', 'labkey']] + lk_fq2_3p = row[input_dict.loc['fq2_3p', 'labkey']] + lk_fq2_5p = row[input_dict.loc['fq2_5p', 'labkey']] + lk_organism = row[input_dict.loc['organism', 'labkey']] + lk_sd = row[input_dict.loc['sd', 'labkey']] + lk_mean = row[input_dict.loc['mean', 'labkey']] + lk_mate1_direction = row[input_dict.loc['mate1_direction', 'labkey']] + lk_mate2_direction = row[input_dict.loc['mate2_direction', 'labkey']] + + # extract, infer or convert to Snakemake input format + if from_api and not os.path.isabs(lk_fastq_path): + anchor = os.getcwd() + logger.warning( + f"[WARNING] Don't know how to interpret relative paths " + "inside LabKey table. Trying with current working directory " + f"'{anchor}' as an anchor, but it may be better to use" + "absolute paths wherever possible..." + ) + else: + anchor = os.path.abspath(os.path.dirname(args.table)) + sample = "_".join([lk_replicate_name, lk_condition]) + if lk_seqmode == 'PAIRED': + seqmode = 'pe' + fq2 = expand_path( + lk_fastq_path, + lk_fq2, + anchor=anchor, + ) + elif lk_seqmode == 'SINGLE': + seqmode = 'se' + fq2 = "XXXXXXXXXXXXXXX" + else: + logger.error( + f"[ERROR] Illegal sequencing mode '{lk_seqmode}' in row " + f"{index+1}." + ) + sys.exit("Execution aborted.") + fq1 = expand_path( + lk_fastq_path, + lk_fq1, + anchor=anchor, + ) + read_length = get_read_length(fq1) + index_size = read_length - 1 + kmer = kmer_from_read_length(read_length) + fq1_3p = lk_fq1_3p + fq1_5p = lk_fq1_5p + fq2_3p = lk_fq2_3p + fq2_5p = lk_fq2_5p + organism = lk_organism.replace(' ', '_').lower() + gtf = expand_path( + args.resources_dir, + organism, + 'annotation.gtf', + ) + genome = expand_path( + args.resources_dir, + organism, + 'genome.fa', + ) + sd = lk_sd + mean = lk_mean + fq1_polya_3p, fq1_polya_5p = get_polya_adapter_seqs(lk_mate1_direction) + fq2_polya_3p, fq2_polya_5p = get_polya_adapter_seqs(lk_mate2_direction) + kallisto_directionality = get_strand_param_kallisto(lk_mate1_direction) + alfa_directionality = get_strand_param_alfa(lk_mate1_direction) + alfa_plus, alfa_minus = get_strand_names_alfa(lk_mate1_direction) + + # construct row in Snakemake input table + snakemake_table.loc[index, 'sample'] = sample + snakemake_table.loc[index, 'seqmode'] = seqmode + snakemake_table.loc[index, 'fq1'] = fq1 + snakemake_table.loc[index, 'fq2'] = fq2 + snakemake_table.loc[index, 'index_size'] = index_size + snakemake_table.loc[index, 'kmer'] = kmer + snakemake_table.loc[index, 'fq1_3p'] = fq1_3p + snakemake_table.loc[index, 'fq1_5p'] = fq1_5p + snakemake_table.loc[index, 'fq2_3p'] = fq2_3p + snakemake_table.loc[index, 'fq2_5p'] = fq2_5p + snakemake_table.loc[index, 'organism'] = organism + snakemake_table.loc[index, 'gtf'] = gtf + snakemake_table.loc[index, 'genome'] = genome + snakemake_table.loc[index, 'sd'] = sd + snakemake_table.loc[index, 'mean'] = mean + snakemake_table.loc[index, 'kallisto_directionality'] = \ + kallisto_directionality + snakemake_table.loc[index, 'alfa_directionality'] = alfa_directionality + snakemake_table.loc[index, 'alfa_plus'] = alfa_plus + snakemake_table.loc[index, 'alfa_minus'] = alfa_minus + + # add CLI argument-dependent parameters + snakemake_table.loc[index, 'multimappers'] = args.multimappers + snakemake_table.loc[index, 'soft_clip'] = args.soft_clip + snakemake_table.loc[index, 'pass_mode'] = args.pass_mode + snakemake_table.loc[index, 'libtype'] = args.libtype + if args.trim_polya is True: + snakemake_table.loc[index, 'fq1_polya_3p'] = fq1_polya_3p + snakemake_table.loc[index, 'fq1_polya_5p'] = fq1_polya_5p + snakemake_table.loc[index, 'fq2_polya_3p'] = fq2_polya_3p + snakemake_table.loc[index, 'fq2_polya_5p'] = fq2_polya_5p + + # adjust sample table format + snakemake_table.fillna('XXXXXXXXXXXXXXX', inplace=True) + snakemake_table = snakemake_table.astype( + { + "sd": int, + "mean": int, + "multimappers": int, + "kmer": int, + "index_size": int, + } + ) + + # write Snakemake sample table + logger.info("Writing Snakemake input table...") + snakemake_table.to_csv( + args.output_table, + sep='\t', + header=True, + index=False) + args.output_table.close() + + # compile entries for Snakemake config file + logger.info("Creating Snakemake config file...") + results_dir = expand_path( + args.output_dir, + "results", + ) + log_dir = expand_path( + args.output_dir, + "logs", + ) + kallisto_indexes = expand_path( + results_dir, + "kallisto_indexes", + ) + salmon_indexes = expand_path( + results_dir, + "salmon_indexes", + ) + star_indexes = expand_path( + results_dir, + "star_indexes", + ) + alfa_indexes = expand_path( + results_dir, + "alfa_indexes", + ) + + # write Snakemake config file + logger.info("Writing Snakemake config file...") + config_file_content = f'''--- + samples: "{expand_path(args.output_table.name)}" + output_dir: "{results_dir}" + log_dir: "{log_dir}" + kallisto_indexes: "{kallisto_indexes}" + salmon_indexes: "{salmon_indexes}" + star_indexes: "{star_indexes}" + alfa_indexes: "{alfa_indexes}" + report_description: "{args.description}" + report_logo: "{args.logo}" + report_url: "{args.url}" +... +''' + args.config_file.write(config_file_content) + args.config_file.close() + + if __name__ == '__main__': - main() + args = parse_cli_args() + + # Set default according to CLI arg + expand_path = partial(expand_path, no_abs=args.no_process_paths) # type: ignore + + main(args) logger.info("Program completed successfully.") sys.exit(0) diff --git a/tests/test_scripts_labkey_to_snakemake_table/expected_output.md5 b/tests/test_scripts_labkey_to_snakemake_table/expected_output.md5 deleted file mode 100644 index abbf9ab..0000000 --- a/tests/test_scripts_labkey_to_snakemake_table/expected_output.md5 +++ /dev/null @@ -1,2 +0,0 @@ -057cbd5757ca7f0b94909eeeca531af3 config.yaml -34422785b7cc77d1aac73d25e767dc2d samples.tsv diff --git a/tests/test_scripts_labkey_to_snakemake_api/expected_output.md5 b/tests/test_scripts_prepare_inputs_labkey/expected_output.md5 similarity index 100% rename from tests/test_scripts_labkey_to_snakemake_api/expected_output.md5 rename to tests/test_scripts_prepare_inputs_labkey/expected_output.md5 diff --git a/tests/test_scripts_labkey_to_snakemake_api/test.sh b/tests/test_scripts_prepare_inputs_labkey/test.sh similarity index 91% rename from tests/test_scripts_labkey_to_snakemake_api/test.sh rename to tests/test_scripts_prepare_inputs_labkey/test.sh index 4f18c42..45aea36 100755 --- a/tests/test_scripts_labkey_to_snakemake_api/test.sh +++ b/tests/test_scripts_prepare_inputs_labkey/test.sh @@ -30,10 +30,10 @@ password ${LABKEY_PASS} EOF # Run tests -python "../../scripts/labkey_to_snakemake.py" \ +python "../../scripts/prepare_inputs.py" \ --labkey-domain="${LABKEY_HOST}" \ --labkey-path="/Zavolan Group/TEST_LABKEY" \ - --input-to-output-mapping="../../scripts/labkey_to_snakemake.dict.tsv" \ + --input-to-output-mapping="../../scripts/prepare_inputs.labkey_to_snakemake.dict.tsv" \ --resources-dir="../input_files" \ --output-table="samples.tsv" \ --config-file="config.yaml" \ diff --git a/tests/test_scripts_prepare_inputs_table/expected_output.md5 b/tests/test_scripts_prepare_inputs_table/expected_output.md5 new file mode 100644 index 0000000..ae56572 --- /dev/null +++ b/tests/test_scripts_prepare_inputs_table/expected_output.md5 @@ -0,0 +1,2 @@ +6be36d7527d4b1705f39d4297d5e2bd0 config.yaml +c8dcc5a203e9046806c4090525960151 samples.tsv diff --git a/tests/test_scripts_labkey_to_snakemake_table/input_table.tsv b/tests/test_scripts_prepare_inputs_table/input_table.tsv similarity index 100% rename from tests/test_scripts_labkey_to_snakemake_table/input_table.tsv rename to tests/test_scripts_prepare_inputs_table/input_table.tsv diff --git a/tests/test_scripts_labkey_to_snakemake_table/test.sh b/tests/test_scripts_prepare_inputs_table/test.sh similarity index 85% rename from tests/test_scripts_labkey_to_snakemake_table/test.sh rename to tests/test_scripts_prepare_inputs_table/test.sh index e60c4fc..b58dae1 100755 --- a/tests/test_scripts_labkey_to_snakemake_table/test.sh +++ b/tests/test_scripts_prepare_inputs_table/test.sh @@ -21,13 +21,15 @@ script_dir="$(cd "$(dirname "${BASH_SOURCE[0]}")" >/dev/null 2>&1 && pwd)" cd $script_dir/ # Run tests -python "../../scripts/labkey_to_snakemake.py" \ - --input-to-output-mapping="../../scripts/labkey_to_snakemake.dict.tsv" \ +python "../../scripts/prepare_inputs.py" \ + --input-to-output-mapping="../../scripts/prepare_inputs.labkey_to_snakemake.dict.tsv" \ --resources-dir="../input_files" \ --output-table="samples.tsv" \ --config-file="config.yaml" \ --multimappers='10' \ --logo="../../images/logo.128px.png" \ + --output-dir="." \ + --no-process-paths \ "input_table.tsv" -- GitLab