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Added XCMS plotting tools #267

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merged 8 commits into from
Jul 15, 2024
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hechth
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@hechth hechth commented Apr 29, 2024

FOR CONTRIBUTOR:

  • - I have read the CONTRIBUTING.md document and this tool is appropriate for the tools-iuc repo.
  • - License permits unrestricted use (educational + commercial)
  • - This PR adds a new tool or tool collection

See RECETOX/galaxytools#523 for xref

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@hechth
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hechth commented May 9, 2024

@lecorguille think it should be fixed now :) Thanks for reviewing!

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hechth commented May 13, 2024

@lecorguille @bgruening ping

@bgruening
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@hechth tests are failing...

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hechth commented May 21, 2024

It complains about maximum file size but all added files are tiny @lecorguille and @bgruening

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LGTM!

<param name="mz_value" value="153.06614"/>
<param name="tolerance_ppm" value="10"/>
<param name="mslevel" value="1"/>
<output name="output_filename" file="eic_plot.png"/>
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Keep in mind that with the latest Galaxy we have all those nice asserts that are better than diif or sim_size comparisons: https://docs.galaxyproject.org/en/latest/dev/schema.html#assertions-for-image-data

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Ah thanks - that is good to know. This is our first plotting tool so wasn't familiar with those!

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I really can't figure out why the tests fail here on the CI - do you think it would make sense to remove the files all together and only use those assertions?

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Test are failing here.

@hechth
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hechth commented May 31, 2024

Test is failing due to file size but that is invalid ... I don't really know what else to do here.

Maybe the CI is outdated? The tests pass locally - should I try opening the same PR against tools-iuc and see what happens?

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Can you maybe update the ci?

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hechth commented Jun 6, 2024

Hi can we please try to move this forward? We'd really like to use the tools and I'd hate to move them again back over to our repo to speed up the process.

@zargham-ahmad
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Hi, can you please trigger the CI @lecorguille and @bgruening

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done

@lecorguille lecorguille merged commit eca29d4 into workflow4metabolomics:master Jul 15, 2024
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4 participants