From 8ab810f10cc64e45a9c2baf1bf6df9d6561578bc Mon Sep 17 00:00:00 2001 From: Jennifer Chang Date: Wed, 13 Sep 2023 10:27:18 -0700 Subject: [PATCH 1/2] ID strain by accession --- Snakefile | 45 ++++++++++++++++++++++--- bin/set_final_strain_name.py | 38 +++++++++++++++++++++ config/config_dengue.yaml | 2 ++ example_data/sequences_all.fasta.zst | Bin 42393 -> 41858 bytes example_data/sequences_denv1.fasta.zst | Bin 26607 -> 25818 bytes example_data/sequences_denv2.fasta.zst | Bin 29338 -> 28897 bytes example_data/sequences_denv3.fasta.zst | Bin 28700 -> 28152 bytes example_data/sequences_denv4.fasta.zst | Bin 18411 -> 17960 bytes 8 files changed, 80 insertions(+), 5 deletions(-) create mode 100755 bin/set_final_strain_name.py create mode 100644 config/config_dengue.yaml diff --git a/Snakefile b/Snakefile index 31009d45..abc34cb3 100644 --- a/Snakefile +++ b/Snakefile @@ -1,3 +1,6 @@ +if not config: + configfile: "config/config_dengue.yaml" + serotypes = ['all', 'denv1', 'denv2', 'denv3', 'denv4'] rule all: @@ -98,12 +101,14 @@ rule filter: params: group_by = "year region", sequences_per_group = filter_sequences_per_group, - min_length = 5000 + min_length = 5000, + strain_id = config.get("strain_id_field", "strain"), shell: """ augur filter \ --sequences {input.sequences} \ --metadata {input.metadata} \ + --metadata-id-columns {params.strain_id} \ --exclude {input.exclude} \ --output {output.sequences} \ --group-by {params.group_by} \ @@ -161,17 +166,19 @@ rule refine: metadata = "results/metadata_{serotype}.tsv" output: tree = "results/tree_{serotype}.nwk", - node_data = "results/branch-lengths_{serotype}.json" + node_data = "results/branch-lengths_{serotype}.json", params: coalescent = "const", date_inference = "marginal", - clock_filter_iqd = 4 + clock_filter_iqd = 4, + strain_id = config.get("strain_id_field", "strain"), shell: """ augur refine \ --tree {input.tree} \ --alignment {input.alignment} \ --metadata {input.metadata} \ + --metadata-id-columns {params.strain_id} \ --output-tree {output.tree} \ --output-node-data {output.node_data} \ --timetree \ @@ -228,12 +235,14 @@ rule traits: node_data = "results/traits_{serotype}.json", params: columns = traits_columns, - sampling_bias_correction = 3 + sampling_bias_correction = 3, + strain_id = config.get("strain_id_field", "strain"), shell: """ augur traits \ --tree {input.tree} \ --metadata {input.metadata} \ + --metadata-id-columns {params.strain_id} \ --output {output.node_data} \ --columns {params.columns} \ --confidence \ @@ -270,18 +279,44 @@ rule export: aa_muts = "results/aa-muts_{serotype}.json", auspice_config = files.auspice_config output: - auspice_json = "auspice/dengue_{serotype}.json" + auspice_json = "results/raw_dengue_{serotype}.json", + root_sequence = "results/raw_dengue_{serotype}_root-sequence.json", + params: + strain_id = config.get("strain_id_field", "strain"), shell: """ augur export v2 \ --tree {input.tree} \ --metadata {input.metadata} \ + --metadata-id-columns {params.strain_id} \ --node-data {input.branch_lengths} {input.traits} {input.clades} {input.nt_muts} {input.aa_muts} \ --auspice-config {input.auspice_config} \ --include-root-sequence \ --output {output.auspice_json} """ +rule final_strain_name: + input: + auspice_json="results/raw_dengue_{serotype}.json", + metadata="results/metadata_{serotype}.tsv", + root_sequence="results/raw_dengue_{serotype}_root-sequence.json", + output: + auspice_json="auspice/dengue_{serotype}.json", + root_sequence="auspice/dengue_{serotype}_root-sequence.json", + params: + strain_id=config.get("strain_id_field", "strain"), + display_strain_field=config.get("display_strain_field", "strain"), + shell: + """ + python3 bin/set_final_strain_name.py \ + --metadata {input.metadata} \ + --metadata-id-columns {params.strain_id} \ + --input-auspice-json {input.auspice_json} \ + --display-strain-name {params.display_strain_field} \ + --output {output.auspice_json} + cp {input.root_sequence} {output.root_sequence} + """ + rule clean: """Removing directories: {params}""" params: diff --git a/bin/set_final_strain_name.py b/bin/set_final_strain_name.py new file mode 100755 index 00000000..08ca9359 --- /dev/null +++ b/bin/set_final_strain_name.py @@ -0,0 +1,38 @@ +import pandas as pd +import json, argparse +from augur.io import read_metadata + +def replace_name_recursive(node, lookup): + if node["name"] in lookup: + node["name"] = lookup[node["name"]] + + if "children" in node: + for child in node["children"]: + replace_name_recursive(child, lookup) + +if __name__=="__main__": + parser = argparse.ArgumentParser( + description="Swaps out the strain names in the Auspice JSON with the final strain name", + formatter_class=argparse.ArgumentDefaultsHelpFormatter + ) + + parser.add_argument('--input-auspice-json', type=str, required=True, help="input auspice_json") + parser.add_argument('--metadata', type=str, required=True, help="input data") + parser.add_argument('--metadata-id-columns', nargs="+", help="names of possible metadata columns containing identifier information, ordered by priority. Only one ID column will be inferred.") + parser.add_argument('--display-strain-name', type=str, required=True, help="field to use as strain name in auspice") + parser.add_argument('--output', type=str, metavar="JSON", required=True, help="output Auspice JSON") + args = parser.parse_args() + + metadata = read_metadata(args.metadata, id_columns=args.metadata_id_columns) + name_lookup = {} + for ri, row in metadata.iterrows(): + strain_id = row.name + name_lookup[strain_id] = args.display_strain_name if pd.isna(row[args.display_strain_name]) else row[args.display_strain_name] + + with open(args.input_auspice_json, 'r') as fh: + data = json.load(fh) + + replace_name_recursive(data['tree'], name_lookup) + + with open(args.output, 'w') as fh: + json.dump(data, fh) diff --git a/config/config_dengue.yaml b/config/config_dengue.yaml new file mode 100644 index 00000000..fa4e134a --- /dev/null +++ b/config/config_dengue.yaml @@ -0,0 +1,2 @@ +strain_id_field: "accession" +display_strain_field: 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Subject: [PATCH 2/2] Move uncompressed sequence and metadata files to the data folder Move uncompressed sequence and metadata files to the `data` folder instead of the `results` folder. This change aligns with the monkeypox and zika pipelines, smoothly allowing the example_data input files to be in either compressed or uncompressed format during automated checks. --- Snakefile | 16 ++++++++-------- 1 file changed, 8 insertions(+), 8 deletions(-) diff --git a/Snakefile b/Snakefile index abc34cb3..30367b51 100644 --- a/Snakefile +++ b/Snakefile @@ -76,8 +76,8 @@ rule decompress: sequences = "data/sequences_{serotype}.fasta.zst", metadata = "data/metadata_{serotype}.tsv.zst" output: - sequences = "results/sequences_{serotype}.fasta", - metadata = "results/metadata_{serotype}.tsv" + sequences = "data/sequences_{serotype}.fasta", + metadata = "data/metadata_{serotype}.tsv" shell: """ zstd -d -c {input.sequences} > {output.sequences} @@ -93,8 +93,8 @@ rule filter: - excluding strains with missing region, country or date metadata """ input: - sequences = "results/sequences_{serotype}.fasta", - metadata = "results/metadata_{serotype}.tsv", + sequences = "data/sequences_{serotype}.fasta", + metadata = "data/metadata_{serotype}.tsv", exclude = files.dropped_strains output: sequences = "results/filtered_{serotype}.fasta" @@ -163,7 +163,7 @@ rule refine: input: tree = "results/tree-raw_{serotype}.nwk", alignment = "results/aligned_{serotype}.fasta", - metadata = "results/metadata_{serotype}.tsv" + metadata = "data/metadata_{serotype}.tsv" output: tree = "results/tree_{serotype}.nwk", node_data = "results/branch-lengths_{serotype}.json", @@ -230,7 +230,7 @@ rule traits: """ input: tree = "results/tree_{serotype}.nwk", - metadata = "results/metadata_{serotype}.tsv" + metadata = "data/metadata_{serotype}.tsv" output: node_data = "results/traits_{serotype}.json", params: @@ -271,7 +271,7 @@ rule export: """Exporting data files for for auspice""" input: tree = "results/tree_{serotype}.nwk", - metadata = "results/metadata_{serotype}.tsv", + metadata = "data/metadata_{serotype}.tsv", branch_lengths = "results/branch-lengths_{serotype}.json", traits = "results/traits_{serotype}.json", clades = "results/clades_{serotype}.json", @@ -298,7 +298,7 @@ rule export: rule final_strain_name: input: auspice_json="results/raw_dengue_{serotype}.json", - metadata="results/metadata_{serotype}.tsv", + metadata="data/metadata_{serotype}.tsv", root_sequence="results/raw_dengue_{serotype}_root-sequence.json", output: auspice_json="auspice/dengue_{serotype}.json",