[WIP] Add retip tool suit wrapper(s) #3
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martenson
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martenson
reviewed
Sep 10, 2020
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Looks very good @smartx-usman, thanks!
One thing I'd like to ask is to design a Galaxy tool test for each tool. It does not need to go in this repository yet, since the container is still private, but we will need them soon.
There are already some example data listed here: https://gitlab.ics.muni.cz/recetox/mass-spectrometry/retip#testing-data
martenson
reviewed
Sep 17, 2020
add missing requirement drop extra whitespace
martenson
changed the title
…. Modify datatype to use more generic type rather than custom defined type. Use docker image from DockerHub.
update biotransformer versioning to iuc standard
[WIP] add xmsannotator
[WIP] add apLCMS
Error in stderr is actually correct behavior.
Adapt apLCMS to HDF5 files
Change xmsannotator error detection policy
Cleaned xml wrapper and added test.
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@smartx-usman you pulled a conflicting commit into this branch, this needs a merge/rebase with/on |
…. Modify datatype to use more generic type rather than custom defined type. Use docker image from DockerHub.
# Conflicts: # tools/biotransformer/biotransformer.xml # tools/biotransformer/wrapper_biotransformer.py # tools/retip/macros.xml # tools/retip/retip_apply.xml # tools/retip/retip_descriptors.xml
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@martenson conflicting commit should be removed now. |
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At a glance it seems correct to me, but github has trouble displaying it. I'll try closing this PR and reopening. |
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Alright, the new PR displays fine in GH. Link above ^ |
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