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MobilePhaseSegment instead of Solution for chromatography #116

Merged
merged 9 commits into from
Apr 2, 2024
Merged

MobilePhaseSegment instead of Solution for chromatography #116

merged 9 commits into from
Apr 2, 2024

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turbomam
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@turbomam turbomam commented Apr 1, 2024 •
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@turbomam turbomam changed the title mobile phase segments instead of solutions MobilePhaseSegment instead of Solution for chromatography Apr 1, 2024
sierra-moxon
sierra-moxon approved these changes Apr 1, 2024
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src/data/problem/valid/ChromatographicSeparationProcess-compilation_example.yaml Outdated Show resolved Hide resolved
src/data/valid/ChromatographicSeparationProcess-SPE.yaml Show resolved Hide resolved
src/schema/core.yaml Outdated Show resolved Hide resolved
tests/test_extraction.py Outdated Show resolved Hide resolved
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@anastasiyaprymolenna
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Why did we have to create a whole new slot for mobile_phase_segments. We could have just updated the range on ordered_mobile_phases and kept the naming consistent. Is there a reason you chose to rename it?

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turbomam commented Apr 1, 2024

Great questions. I will reply in more detail tomorrow

  • if you like this PR, then I will delete the commented-out portions in the schema and example data files before merging
  • I don't object to renaming mobile_phase_segments back to ordered_mobile_phases. They will have different ranges, though.

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yes, I think just the range on ordered_mobile_phases needs to be updated instead of creating a whole new slot without definitions because I remember there was a lot of discussion on how to set up that slot in Berkeley

anastasiyaprymolenna
anastasiyaprymolenna approved these changes Apr 1, 2024
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apart from removing the commented out portions like you two said, the rest looks good.

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turbomam commented Apr 2, 2024

Thanks both for the great PR.

@sierra-moxon I have marked all of your comments resolved (because I believe they are) but I'm glad to discuss them more.

@turbomam turbomam merged commit 24a98dd into main Apr 2, 2024
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@turbomam turbomam deleted the 1884-mobilephasecomponents-instead-of-solutions branch April 2, 2024 14:16
@turbomam turbomam mentioned this pull request Apr 2, 2024
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@sierra-moxon sierra-moxon sierra-moxon approved these changes

@anastasiyaprymolenna anastasiyaprymolenna anastasiyaprymolenna approved these changes

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@turbomam @anastasiyaprymolenna @sierra-moxon