[英]Trouble with wildcards in snakemake
我在通配符无法转换为假定值时遇到问题。 这是 Snakefile:
import pandas as pd
configfile: "config.json"
experiments = pd.read_csv(config["experiments"], sep = '\t')
experiments['Name'] = [filename.split('/')[-1].split('_R' if ',' in filename else '.fa')[0] for filename in experiments['Files']]
name2sample = {experiments.iloc[i]['Name'] : experiments.iloc[i]['Sample'] for i in range(len(experiments))}
mg_experiments = experiments[experiments["Data type"] == 'dna']
def preprocess_input(wildcards):
# get files with matching names
df = experiments.loc[experiments['Name'] == wildcards.name, 'Files']
# get first value (in case multiple) and split on commas
return df.iloc[0].split(',')
def join_reads_input(wildcards):
df = mg_experiments.loc[mg_experiments['Sample'] == wildcards.sample, 'Files']
names = [filename.split('/')[-1].split('_R' if ',' in filename else '.fa')[0] for filename in df]
return ['{}/Preprocess/Trimmomatic/quality_trimmed_{}{}.fq'.format(config["output"], name, fr) for name in names
for files in df for fr in (['_forward_paired', '_reverse_paired'] if ',' in files else [''])]
rule all:
input:
expand("{output}/Annotation/uniprotinfo.tsv", output = config["output"], sample = experiments["Sample"]),
expand("{output}/Annotation/{sample}/protein2cog.tsv", output = config["output"], sample = experiments["Sample"]),
expand("{output}/Preprocess/Trimmomatic/quality_trimmed_{name}{fr}.fq", output = config["output"],
fr = (['_forward_paired', '_reverse_paired'] if experiments["Files"].str.contains(',').tolist() else ''),
name = experiments['Name'])
rule preprocess:
input:
preprocess_input
output:
expand("{{output}}/Preprocess/Trimmomatic/quality_trimmed_{{name}}{fr}.fq",
fr = (['_forward_paired', '_reverse_paired'] if experiments["Files"].str.contains(',').tolist() else ''))
threads:
config["threads"]
run:
shell("python preprocess.py -i {reads} -t {threads} -o {output}/Preprocess -adaptdir MOSCA/Databases/illumina_adapters -rrnadbs MOSCA/Databases/rRNA_databases -d {data_type}",
output = config["output"], data_type = experiments.loc[experiments['Name'] == wildcards.name]["Data type"].iloc[0], reads = ",".join(input))
rule join_reads:
input:
join_reads_input
output:
expand("{output}/Assembly/{{sample}}/{{sample}}{fr}.fastq", output = config["output"],
fr = (['_forward', '_reverse'] if experiments["Files"].str.contains(',').tolist() else ''))
run:
for file in input:
print(file)
if 'forward' in file:
shell("touch {output}/Assembly/{wildcards.sample}/{wildcards.sample}_forward.fastq; cat {file} >> {output}/Assembly/{wildcards.sample}/{wildcards.sample}_forward.fastq", output = config["output"])
elif 'reverse' in file:
shell("touch {output}/Assembly/{wildcards.sample}/{wildcards.sample}_reverse.fastq; cat {file} >> {output}/Assembly/{wildcards.sample}/{wildcards.sample}_reverse.fastq", output = config["output"])
else:
shell("touch {output}/Assembly/{wildcards.sample}/{wildcards.sample}.fastq; cat {file} >> {output}/Assembly/{wildcards.sample}/{wildcards.sample}.fastq", output = config["output"])
rule assembly:
input:
expand("{output}/Assembly/{{sample}}/{{sample}}{fr}.fastq", output = config["output"],
fr = (['_forward', '_reverse'] if experiments["Files"].str.contains(',').tolist() else ''))
output:
expand("{output}/Assembly/{{sample}}/contigs.fasta", output = config["output"])
threads:
config["threads"]
run:
reads = ",".join(input)
shell("python assembly.py -r {reads} -t {threads} -o {output}/Assembly/{{sample}} -a {assembler}",
output = config["output"], assembler = config["assembler"])
由于我的菜鸟,这可能会非常令人困惑。 rule preprocess
运行预处理脚本, rule join_reads
将通过样本(在下面的experiments
文件中定义)获得的读数( Preprocess/Trimmomatic/quality_trimmed
部分)集中在一起,因此它们可以一起提交到组装。 这是配置文件:
{
"output": "output",
"threads": 14,
"experiments": "experiments.tsv",
"assembler": "metaspades"
}
这是experiments.tsv 文件:
Files Sample Data type Condition
path/to/mg_R1.fastq,path/to/mg_R2.fastq Sample dna
path/to/a/0.01/mt_0.01a_R1.fastq,path/to/a/0.01/mt_0.01a_R2.fastq Sample mrna c1
path/to/b/0.01/mt_0.01b_R1.fastq,path/to/b/0.01/mt_0.01b_R2.fastq Sample mrna c1
path/to/c/0.01/mt_0.01c_R1.fastq,path/to/c/0.01/mt_0.01c_R2.fastq Sample mrna c1
path/to/a/1/mt_1a_R1.fastq,path/to/a/1/mt_1a_R2.fastq Sample mrna c2
path/to/b/1/mt_1b_R1.fastq,path/to/b/1/mt_1b_R2.fastq Sample mrna c2
path/to/c/1/mt_1c_R1.fastq,path/to/c/1/mt_1c_R2.fastq Sample mrna c2
path/to/a/100/mt_100a_R1.fastq,path/to/a/100/mt_100a_R2.fastq Sample mrna c3
path/to/b/100/mt_100b_R1.fastq,path/to/b/100/mt_100b_R2.fastq Sample mrna c3
path/to/c/100/mt_100c_R1.fastq,path/to/c/100/mt_100c_R2.fastq Sample mrna c3
这里的问题是:猫报告了MissingOutputException
,因为它找不到文件output/Assembly/{wildcards.sample}_forward.fastq
(反之亦然)。 这意味着通配符.sample 没有转换为“示例”,我不明白为什么。 但是, cat 规则仍然设法正确生成文件,尽管它停止了必须再次执行的工作流。 从那里开始一切顺利,因为装配规则已经有了它的输入文件。
为什么通配符.sample没有转换为“样本”?
这里有很多。 我认为对于您的特定问题,当您使用关键字参数进行 shell 时,它会阻止 snakemake 格式化剩余的通配符。 将{output}/Assembly/{wildcards.sample}/{wildcards.sample}_reverse.fastq
为{output}/Assembly/{sample}/{sample}_reverse.fastq
并将示例作为参数传递给 shell。
其他建议:
reads=','.join(input)
逻辑捕获到 params 指令中。 您可以直接将 config[assembler] 放入 shell 格式标记,例如shell: python assembly.py ... -a {config[assembler]}
。allow_missing
而不是使用{{}}
转义通配符格式。cat {file} >> {output}
也会将文件附加到输出。我认为您可以对逻辑进行很多简化,但我对您的工具的了解不够,无法推荐更多细节。
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