CWL Best Practices¶
Best Practices¶
Following are some best practices for creating tools. Our intention is that this document will evolve as descriptor languages evolve so feel free to provide suggestions and/or improvements.
In this tutorial, we will be using examples from one-workflow-many-ways.
Authorship Metadata¶
Dockstore parses metadata and allows it to be used in Dockstore search which helps others find your tool/workflow more easily. “Author” is one of the metadata fields that is searchable:
search-metadata
Additionally, metadata is displayed in the tool/workflow’s “Info” tab. The highlighted sections below will appear once metadata is added to the descriptor:
info-tab-metadata
For all developers, we highly recommend the following minimal metadata for your tools and workflows.
This example includes author, email, and description metadata:
workflow.cwl
#!/usr/bin/env cwl-runner
cwlVersion: v1.0
class: Workflow
doc: |
Implementing bamqc over and over again to get an idea of how easy or hard it is for a beginner to implement a basic workflow in different workflow systems.
inputs:
bamfile:
type: File
bedfile:
type: File
bamqc_pl:
type: File
flagstat2json:
type: File
outputs:
bamqc_json:
type: File
outputSource: bamqc/outjson
flagstatjson:
type: File
outputSource: flagstat_json/flagstat_json
steps:
flagstat:
run: flagstat.cwl
in:
bamfile: bamfile
out: [flagstat_file]
flagstat_json:
run: flagstat2json.cwl
in:
flagstat_file: flagstat/flagstat_file
flagstat2json: flagstat2json
out: [flagstat_json]
bamqc:
run: bamqc.cwl
in:
bamfile: bamfile
bedfile: bedfile
bamqc_pl: bamqc_pl
xtra_json: flagstat_json/flagstat_json
out: [ outjson ]
s:author:
- class: s:Person
s:email: Muhammad.Lee@oicr.on.ca
s:name: Muhammad Lee
This results in the workflow’s Info Tab being populated like:
cwl-info-tab-metadata
Input/Output Fields¶
Tools and workflows can take File types as input and produce them as output. We recommend indicating the format for File types. This helps document for others how to use your tool while allowing you to do some simple type-checking when creating parameter files.
For file formats, we recommend one of the following before sharing your tool with others: - reference existing ontologies (like EDAM in our example) - reference a local ontology for your institution - not add a file format initially for quick development
Note that as a value-add, cwltool can do some basic reasoning based
on file formats and warn you if there seem to be some obvious
mismatches.
metadata_example1.cwl
#!/usr/bin/env cwl-runner
class: CommandLineTool
id: Example tool
label: Example tool
cwlVersion: v1.0
doc: |
An example tool demonstrating metadata.
requirements:
- class: ShellCommandRequirement
inputs:
bam_input:
type: File
doc: The BAM file used as input
format: http://edamontology.org/format_2572
inputBinding:
position: 1
stdout: output.txt
outputs:
report:
type: File
format: http://edamontology.org/format_1964
outputBinding:
glob: "*.txt"
doc: A text file that contains a line count
baseCommand: ["wc", "-l"]
$schemas:
- http://dublincore.org/2012/06/14/dcterms.rdf
- http://xmlns.com/foaf/spec/20140114.rdf
Sample Parameter Files¶
Below is an example of a parameter file for the example above. We encourage checking in working examples of parameter files for your tool/workflow. This allows others to quickly work with your tool/workflow, starting from a “known good” parameterization. Having at least one parameter file brings your tool/workflow one step closer to getting verified.
sample.json
{
"bam_input": {
"class": "File",
"format": "http://edamontology.org/format_2572",
"path": "rna.SRR948778.bam"
},
"bamstats_report": {
"class": "File",
"path": "/tmp/bamstats_report.zip"
}
}
Now invoke dockstore with the tool wrapper and the input object on
the command line and ensure that it succeeds:
$ dockstore tool launch --local-entry metadata_example.cwl --json sample.json
...
Executing: cwltool --enable-dev --non-strict --outdir /home/dyuen/temp/./datastore/launcher-f88ae8e3-6b6f-49f8-a622-46a61a9541d7/outputs/ --tmpdir-prefix /home/dyuen/temp/./datastore/launcher-f88ae8e3-6b6f-49f8-a622-46a61a9541d7/tmp/ --tmp-outdir-prefix /home/dyuen/temp/./datastore/launcher-f88ae8e3-6b6f-49f8-a622-46a61a9541d7/working/ /home/dyuen/temp/metadata_example.cwl /home/dyuen/temp/./datastore/launcher-f88ae8e3-6b6f-49f8-a622-46a61a9541d7/workflow_params.json
/usr/local/bin/cwltool 1.0.20170217172322
Resolved '/home/dyuen/temp/metadata_example.cwl' to 'file:///home/dyuen/temp/metadata_example.cwl'
[job metadata_example.cwl] /home/dyuen/temp/datastore/launcher-f88ae8e3-6b6f-49f8-a622-46a61a9541d7/working/RdrrBY$ /bin/sh \
-c \
'wc' '-l' '/tmp/tmpl05Efw/stge93eb613-048c-4402-b003-6b7bc144f1b9/rna.SRR948778.bam' > /home/dyuen/temp/datastore/launcher-f88ae8e3-6b6f-49f8-a622-46a61a9541d7/working/RdrrBY/output.txt
[job metadata_example.cwl] completed success
{
"report": {
"format": "http://edamontology.org/format_1964",
"checksum": "sha1$68c01583e2355a6a38d814ac7d7d8e46705df56d",
"basename": "output.txt",
"location": "file:///home/dyuen/temp/./datastore/launcher-f88ae8e3-6b6f-49f8-a622-46a61a9541d7/outputs/output.txt",
"path": "/home/dyuen/temp/./datastore/launcher-f88ae8e3-6b6f-49f8-a622-46a61a9541d7/outputs/output.txt",
"class": "File",
"size": 80
}
}
Final process status is success
cwltool stdout:
{
"report": {
"format": "http://edamontology.org/format_1964",
"checksum": "sha1$68c01583e2355a6a38d814ac7d7d8e46705df56d",
"basename": "output.txt",
"location": "file:///home/dyuen/temp/./datastore/launcher-f88ae8e3-6b6f-49f8-a622-46a61a9541d7/outputs/output.txt",
"path": "/home/dyuen/temp/./datastore/launcher-f88ae8e3-6b6f-49f8-a622-46a61a9541d7/outputs/output.txt",
"class": "File",
"size": 80
}
}
...
Extended Metadata¶
For those that are highly motivated, it is also possible to annotate your tool with a much larger amount of metadata. In this complete example, we include authorship, file formats, hints at hardware requirements in order to use the tool, and a few more metadata fields demonstrating the use of JSON-LD.
metadata_example3.cwl
#!/usr/bin/env cwl-runner
class: CommandLineTool
id: Example tool
label: Example tool
cwlVersion: v1.0
doc: |
An example tool demonstrating metadata. Note that this is an example and the metadata is not necessarily consistent.
requirements:
- class: ShellCommandRequirement
hints:
- class: ResourceRequirement
coresMin: 4
inputs:
bam_input:
type: File
doc: The BAM file used as input
format: http://edamontology.org/format_2572
inputBinding:
position: 1
stdout: output.txt
outputs:
report:
type: File
format: http://edamontology.org/format_1964
outputBinding:
glob: "*.txt"
doc: A text file that contains a line count
baseCommand: ["wc", "-l"]
$namespaces:
s: https://schema.org/
$schemas:
- http://dublincore.org/2012/06/14/dcterms.rdf
- http://xmlns.com/foaf/spec/20140114.rdf
- https://schema.org/docs/schema_org_rdfa.html
s:author:
- class: s:Person
s:id: https://orcid.org/0000-0002-6130-1021
s:email: dyuen@not-oicr.on.ca
s:name: Denis Yuen
s:contributor:
- class: s:Person
s:id: http://orcid.org/0000-0002-7681-6415
s:email: briandoconnor@not-ucsc.org
s:name: Brian O'Connor
- class: s:Person
s:id: https://orcid.org/0000-0002-6130-1021
s:email: dyuen@not-oicr.on.ca
s:name: Denis Yuen
s:citation: https://figshare.com/articles/Common_Workflow_Language_draft_3/3115156/2
s:codeRepository: https://github.com/common-workflow-language/common-workflow-language
s:dateCreated: "2016-12-13"
s:license: https://www.apache.org/licenses/LICENSE-2.0
s:keywords: http://edamontology.org/topic_0091 , http://edamontology.org/topic_0622
s:programmingLanguage: C
Next Steps¶
At this juncture, you have completed all of the developer tutorials.
Please continue onwards with specific topics of interest via our Advanced Developer Topics or our End User Topics