Python snakemake中的通配符问题
我遇到了通配符无法转换为假定值的问题。这是蛇形档案:Python snakemake中的通配符问题,python,pandas,wildcard,sample,snakemake,Python,Pandas,Wildcard,Sample,Snakemake,我遇到了通配符无法转换为假定值的问题。这是蛇形档案: 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
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"])
这可能会让人很困惑,因为我不知道<代码>规则预处理运行预处理脚本,rule join_reads
cats将样本(在下面的实验
文件中定义的预处理/微调/质量
零件)获得的读数一起提交给程序集。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:cat报告一个MissingOutputException
,因为它找不到文件output/Assembly/{wildcards.sample}\u forward.fastq
(反之亦然)。这意味着通配符.sample没有转换为“sample”,我不明白为什么。但是,cat规则仍然能够正确生成文件,尽管它会停止工作流,而工作流必须再次执行。从这里开始,它运行良好,因为汇编规则已经有了它的输入文件
为什么wildcards.sample没有转换成“sample”?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来shell时,它会阻止snakemake格式化剩余的通配符。将
{output}/Assembly/{wildcards.sample}/{wildcards.sample}\u reverse.fastq
更改为{output}/Assembly/{sample}/{sample}\u reverse.fastq
并将sample作为参数传递给shell
其他建议:
- 将输入函数置于应用规则之上
- 在输入/输出中使用多个规则,而不是复杂的扩展。对于同一个输出文件,可以有两个规则,一个接受成对输入,另一个接受不成对输入
- 如果您有一个仅调用shell的run指令,请将其替换为shell。您可以捕获
逻辑到params指令中。您可以直接将config[assembler]放入shell格式标记中,例如,reads=','.join(input)
shell:python assembly.py-一个{config[assembler]}
- 在展开中使用
,而不是使用allow_missing
转义通配符格式{{}
将文件附加到输出,即使输出不存在(不需要触摸)cat{file}>{output}
- 尽量使您的行少于100个字符,以便它们在stackoverflow或github上正确显示
我认为您可以对逻辑进行大量简化,但我对您的工具了解不够,无法推荐更多细节。使用
touch{file}的原因是什么;猫…>>{file}
?为什么不删除此触摸按钮
?第一只猫将找不到该文件。这解决了问题,并允许始终追加!为什么不使用cat file1 file2 file3>{output}
?此外,蛇人通过'forward'
和'reverse'
分离文件的惯用方法是使用单独的规则。但是文件可能是不成对的。我试图对应这两种情况:/每当文件/Assembly/sample\u向前时,它应该用“sample”
替换{sample}
通配符。需要fastq
来实现目标:直接或间接。