From ab3ee68f5beb9a2c3086de20968492b7e090a6c9 Mon Sep 17 00:00:00 2001 From: Adrian Altenhoff Date: Wed, 14 Aug 2024 10:19:23 +0200 Subject: [PATCH] add step to extract taxonomy from gs_tsv --- containers/oma/Dockerfile | 9 +- containers/oma/Pipfile | 6 +- containers/oma/Pipfile.lock | 795 +++++++++--------- modules/local/darwin_extract/main.nf | 19 + .../usr/bin/subtaxonomy-from-genomes.py | 53 ++ subworkflows/local/extract_darwin/main.nf | 8 +- 6 files changed, 482 insertions(+), 408 deletions(-) create mode 100755 modules/local/darwin_extract/resources/usr/bin/subtaxonomy-from-genomes.py diff --git a/containers/oma/Dockerfile b/containers/oma/Dockerfile index 8ccd573..e1a88e6 100644 --- a/containers/oma/Dockerfile +++ b/containers/oma/Dockerfile @@ -1,10 +1,9 @@ -FROM python:3.11-slim as basis +FROM python:3.11-slim AS basis # set environment varibles -#ENV PYTHONDONTWRITEBYTECODE 1 -ENV PYTHONUNBUFFERED 1 +ENV PYTHONUNBUFFERED=1 -FROM basis as builder +FROM basis AS builder RUN apt-get update \ && apt-get install -y --no-install-recommends \ build-essential \ @@ -32,7 +31,7 @@ RUN --mount=type=ssh \ LABGIT=$(cat /run/secrets/labgit ) \ pipenv sync -FROM basis as runtime +FROM basis AS runtime RUN apt-get update \ && apt-get install -y --no-install-recommends \ libxml2 \ diff --git a/containers/oma/Pipfile b/containers/oma/Pipfile index f2edf7f..8c3c5a6 100644 --- a/containers/oma/Pipfile +++ b/containers/oma/Pipfile @@ -8,9 +8,11 @@ omahdf5tordf = {git = "git+${LABGIT}/biosoda"} omamer = "*" edgehog = "*" hogprop = {git = "git+${LABGIT}/hogprop2"} - #branch = "nf-convert", -#pyoma = {git = "git+https://github.com/DessimozLab/pyoma.git", ref = "v0.13.3", extras = ["create_db", "enrichment", "notebooks"] } + #branch = "nf-convert", + #ref = "v0.13.3" +#pyoma = {git = "git+https://github.com/DessimozLab/pyoma.git", branch = "nf-convert", extras = ["create_db", "enrichment", "notebooks"] } pyoma = "*" +omataxonomy = "*" [dev-packages] diff --git a/containers/oma/Pipfile.lock b/containers/oma/Pipfile.lock index 31f6d3f..ed734df 100644 --- a/containers/oma/Pipfile.lock +++ b/containers/oma/Pipfile.lock @@ -1,7 +1,7 @@ { "_meta": { "hash": { - "sha256": "f566374bb92e3ba87a71f8be72593612b0b9f8ee066bb79258b480439ae4f44d" + "sha256": "f035926f4bdd4ca36df284e18fcd88d1f840cc1de16ef9e58ea2df71e27e1db8" }, "pipfile-spec": 6, "requires": { @@ -16,6 +16,22 @@ ] }, "default": { + "about-time": { + "hashes": [ + "sha256:6a538862d33ce67d997429d14998310e1dbfda6cb7d9bbfbf799c4709847fece", + "sha256:8bbf4c75fe13cbd3d72f49a03b02c5c7dca32169b6d49117c257e7eb3eaee341" + ], + "markers": "python_version >= '3.7' and python_version < '4'", + "version": "==4.2.1" + }, + "alive-progress": { + "hashes": [ + "sha256:347220c1858e3abe137fa0746895668c04df09c5261a13dc03f05795e8a29be5", + "sha256:42e399a66c8150dc507602dff7b7953f105ef11faf97ddaa6d27b1cbf45c4c98" + ], + "markers": "python_version >= '3.7' and python_version < '4'", + "version": "==3.1.5" + }, "biopython": { "hashes": [ "sha256:0c425a39871f652598f502671aa5f6b5125475a91333a368a47f9c611ca96db1", @@ -44,36 +60,36 @@ "sha256:ee3566f6dc3acf20e238540daf896f0af20cff531521bf41fdf5143f73e209ae", "sha256:f4c1c9ad7da9eaf8d8f4515bf931a7f6548a468e7ef29b8429e31aaff2d95f4c" ], - "markers": "python_version >= '3.6'", + "markers": "python_version >= '3.9'", "version": "==1.84" }, "blosc2": { "hashes": [ - "sha256:05d40ede9cf0ecb25500cfe9bebe190e75f246eb1fcd7bd358ac1acfef44ee7a", - "sha256:1546c04d25ce793fa0fd7a83999bbb576ff84ef474fb45801f0b6dd76b84803c", - "sha256:17dd39f62f1686a170232ac8bcba40358ef67e919a91fe840ac71a45d067df30", - "sha256:18e3c4c95fe40ea9cda88c784d96e4efc8ddf53f94074cf46daa2e91c9ae5137", - "sha256:3d4b208d5f5947d3062d3353717c43e0ea8e6ccdecdcd30737d5305628e0062b", - "sha256:407896867032a760dcce6c25d5e5a56b6fe5235245e065e2549697f69b5117c6", - "sha256:4518944374880d822f9ca90d4473bfa9f4d884b462f78365e224c2b291962e44", - 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a/modules/local/darwin_extract/resources/usr/bin/subtaxonomy-from-genomes.py b/modules/local/darwin_extract/resources/usr/bin/subtaxonomy-from-genomes.py new file mode 100755 index 0000000..7a45f2a --- /dev/null +++ b/modules/local/darwin_extract/resources/usr/bin/subtaxonomy-from-genomes.py @@ -0,0 +1,53 @@ +#!/usr/bin/env python + +import omataxonomy +import csv + +def subtaxonomy_from_genomes(tax, genomes): + tree = tax.get_topology(genomes.keys(), intermediate_nodes=True, collapse_subspecies=True, annotate=True) + taxtab = [] + while True: + if len(tree.children) != 1: break + tree = tree.children[0] + + for node in tree.traverse(strategy="preorder"): + parent_taxid = node.up.taxid if node.up is not None and node != tree else -1 + if node.taxid in (131567, 1): + node.taxid = 0 + sciname = "LUCA" + elif node.sci_name.startswith("d__"): + sciname = node.sci_name.replace("d__", "") + node.taxid = tax.get_name_translator([sciname])[sciname][0] + else: + sciname = node.sci_name + if node.taxid in genomes: + sciname = genomes[node.taxid] + if node.taxid == parent_taxid: + continue + taxtab.append((node.taxid, parent_taxid, sciname)) + return taxtab + + +def parse_genomes_tsv(genomes_tsv): + with open(genomes_tsv, 'r') as f: + dialect = csv.Sniffer().sniff(f.read(1000)) + f.seek(0) + reader = csv.DictReader(f, dialect=dialect) + genomes = {int(row['TaxonId']): row['SciName'] for row in reader} + return genomes + + +if __name__ == '__main__': + import argparse + parser = argparse.ArgumentParser(description="Extract a subtaxonomy from a set of genomes") + parser.add_argument('--input', required=True, help="Genomes file in TSV format") + parser.add_argument('--database', help="Taxonomy database file (sqlite format)") + parser.add_argument('--out', required=True, help="Path to output file") + conf = parser.parse_args() + + tax = Taxonomy(conf.database) + genomes = parse_genomes_tsv(conf.input) + taxtab = subtaxonomy_from_genomes(tax, genomes) + + with open(conf.out, 'w') as f: + csv.writer(f, dialect="excel-tab").writerows(taxtab) diff --git a/subworkflows/local/extract_darwin/main.nf b/subworkflows/local/extract_darwin/main.nf index 9265be6..c04d150 100644 --- a/subworkflows/local/extract_darwin/main.nf +++ b/subworkflows/local/extract_darwin/main.nf @@ -1,7 +1,7 @@ #!/usr/bin/env nextflow // Modules -include { CONVERT_GS; CONVERT_PROTEINS } from "./../../../modules/local/darwin_extract" +include { CONVERT_GS; CONVERT_PROTEINS; CONVERT_TAXONOMY } from "./../../../modules/local/darwin_extract" workflow EXTRACT_DARWIN { take: @@ -11,6 +11,7 @@ workflow EXTRACT_DARWIN { main: def summaries = genomes_folder / "Summaries.drw" + def taxonomy = genomes_folder / "taxonomy.sqlite" CONVERT_GS(genomes_folder, matrix_file, summaries) CONVERT_GS.out.gs_tsv | splitCsv(sep: "\t", header: true) @@ -22,8 +23,13 @@ workflow EXTRACT_DARWIN { | set { convert_jobs } CONVERT_PROTEINS(convert_jobs) + CONVERT_TAXONOMY(CONVERT_GS.out.gs_tsv, taxonomy) + + emit: gs_file = CONVERT_GS.out.gs_tsv protein_files = CONVERT_PROTEINS.out.prot_json.collect() + tax_tsv = CONVERT_TAXONOMY.out.tax_tsv + }