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Meeting Notes 27.08.2021

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Casper Welzel Andersen edited this page Nov 5, 2021 · 1 revision

Participants:

  • Casper Andersen
  • Antanas Vaitkus
  • Emanuele Ghedini
  • Jesper Friis
  • James Hester
  • Rickard Armiento
  • Saulius Grazulis

CIF-ontology

Jesper showcases the new development in dic2owl. We should add:

  • Tests (sanity, make sure everything is treated from the dic-file / basically validation)
  • Unit tests

What should we do about units?
Emanuele & Jesper: We should leave it for now.
Saulius: They’re well-defined and the usage will start to be “enforced”.

Lot's of discussion of using annotations versus defining a class for each unit to reference.

Conclusion: We will create modules that will use the IDs for units of, e.g., QUDT or EMMO.

EMMO-Crystallography

Crystal definition: Use the one at https://dictionary.iucr.org/Crystal (real space). Define from reciprocal space: Anything that produces diffraction peaks is a crystal.

Rickard: But let's not forget where we ended - at least as I understood it - with Saulius suggesting that we could go the same way with crystal as we did with material in OPTIMADE: a crystal is anything that can be described by a crystal model.

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