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Sprint22 microstructure #267

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wants to merge 27 commits into from
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Sprint22 microstructure #267

wants to merge 27 commits into from

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mkuehbach
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…NXms with NXmicrostructure to avoid confusing the symbol convention with mass spectrometry as the abbreviation NXms may suggest
…con and eventually make this NXmicrostructure
…ate_system_set because that is what these conventions only talk about
…the rollett-holm formula fixes the build error with latex, locally at least it does
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Only reviewed changes to NXcoordinate_system_set so far.

I support having the conventions liker rotation_handedness, rotation_convention, euler_angle_conventions, and so on in NXcoordinate_system_set (though maybe can be different for different coordinate systems, not sure).

I am of two minds w.r.t. explictily defining different coordinate systems within the base class NXcoordinate_system_set. Essentially, this just makes sure all appdefs use the same name if they are talking about a coordinate system of e..g. the sample. This may be helpful. That being said, the coordinate system descriptions here are 1) too specific still (mostly to EM), and 2) oftentimes just repeating what is already in the NXcoordinate_system base class, so we can delete most of the fields in these named CSs.

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This looks much cleaner already. I think you could clean up even more by stating the assumptions directly in the docs of the respective classes and adding a sentence that people who use different assumptions must explicitly state these.

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All issues from @lukaspie were addressed.

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Neither conflicts nor revision requests currently block this PR from becoming merged into fairmat. However, as it was discussed for #270 development should continue despite vacation.

Therefore, this draft PR will be closed and instead sprint22_microstructure merged into sprint23_em_v3.
This enables to address merge conflicts between these two feature development activities to compose
one update for the EM line of features in NOMAD without currently breaking code without taking the
team the possibility to make revisions.

@mkuehbach mkuehbach closed this Jul 30, 2024
mkuehbach added a commit that referenced this pull request Jul 30, 2024
mkuehbach added a commit that referenced this pull request Sep 11, 2024
Sprint23 EM v3 and microstructure replacing #267 and #270
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3 participants