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easyscience / diffraction-lib Public

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Complete the bundled space-group database#187

Merged

AndrewSazonov merged 24 commits into

developeasyscience/diffraction-lib:developfrom

space-group-databaseeasyscience/diffraction-lib:space-group-databaseCopy head branch name to clipboard

Jun 2, 2026

Conversation Commits24 (24)Checks Files changed

Merged

Complete the bundled space-group database#187
AndrewSazonov merged 24 commits into
developfrom
space-group-database

Commits

Commits on Jun 1, 2026

Add space-group-database ADR suggestion
AndrewSazonov
committed
Add space-group-database implementation plan
AndrewSazonov
committed
Add cctbx-based space-group table extraction
AndrewSazonov
committed
Add multi-source cross-check and disagreement report
AndrewSazonov
committed
Generate initial space-group disagreement report
AndrewSazonov
committed

Commits on Jun 2, 2026

Localize space-group curation artifacts
AndrewSazonov
committed
Move crysview demo to subdirectory
AndrewSazonov
committed
Add curated space-group overrides
AndrewSazonov
committed
Generate complete space_groups.json.gz with recorded provenance
AndrewSazonov
committed
Load space groups from JSON and drop restricted unpickler
AndrewSazonov
committed
Reach Phase 1 review gate
AndrewSazonov
committed
Cover public space-group coordinate aliases
AndrewSazonov
committed
Add space-group database ADR index row
AndrewSazonov
committed
Add Phase 2 space-group database tests and packaging check
AndrewSazonov
committed
Apply pixi run fix auto-fixes
AndrewSazonov
committed
Alias runtime coordinate codes in space-group database
AndrewSazonov
committed
Apply prettier formatting to space-group-database ADR
AndrewSazonov
committed
Make packaging check inspect the wheel directly
AndrewSazonov
committed
Unify Plotly tooltip styling and fix white Bragg hover
AndrewSazonov
committed
Guard optional IPython import in table backend base
AndrewSazonov
committed
Pin space-group record count in tests and wheel check
AndrewSazonov
committed
Update Plotly hover test and fix overlong comment
AndrewSazonov
committed
Update tutorial links to latest docs
AndrewSazonov
committed
Add Wyckoff letter detection ADR
AndrewSazonov
committed

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