Support β-tensor displacement parameters and fix dark-mode plots#199
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Co-Authored-By: Claude Fable 5 <noreply@anthropic.com>
…ry type differences
The live-notebook loader (ed-figures.js) could not detect JupyterLab's theme and only re-coloured annotation fonts, so the comparison plot's metrics box kept its baked light-grey background in dark mode. Teach the loader to detect the JupyterLab (and baked) theme, re-theme the metrics box background and border, and observe the Jupyter theme attributes. Make the loader the single source of theme-sync, resize, and the legend toggle: expose those entry points on window.edFigures and have the standalone/report HTML path delegate to them, deleting the duplicated inline post-scripts that had drifted out of parity. Co-Authored-By: Claude Opus 4.8 <noreply@anthropic.com>
Cover the called_by_minimizer branch of _apply_adp_symmetry_constraints on a cubic special position: the minimizer path applies a symmetry- averaged, out-of-range tensor value raw (via _set_value_from_minimizer) without aborting, while the interactive path still validates and raises. Co-Authored-By: Claude Opus 4.8 <noreply@anthropic.com>
Record decision 7 in the plan and a matching ADR Extension bullet: the symmetry-constraint pass writes aniso tensor components via _set_value_from_minimizer during a fit, bypassing the diagonal range validator so a transiently out-of-range averaged value cannot abort the refinement. The interactive path keeps full validation. Co-Authored-By: Claude Opus 4.8 <noreply@anthropic.com>
Document the two user-requested in-scope additions that landed beyond the original checklist: inline create(adp_type='beta') ergonomics and the Jupyter dark-mode / shared-figure-loader fix. Update the Suggested PR section to mention both benefits. Co-Authored-By: Claude Opus 4.8 <noreply@anthropic.com>
A standalone snippet with external Plotly (include_plotlyjs=False) was left without window.edFigures, silently dropping theme sync, resize, and the legend toggle. Embed the shared loader by default via a new include_helper_loader flag; the report renderer opts out only for figures after the first so the loader is still embedded once per page. Co-Authored-By: Claude Opus 4.8 <noreply@anthropic.com>
AndrewSazonov
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[scope] enhancement
Codecov Report❌ Patch coverage is Additional details and impacted files@@ Coverage Diff @@
## develop #199 +/- ##
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+ Coverage 90.12% 90.22% +0.10%
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Files 271 271
Lines 23111 23273 +162
Branches 2683 2718 +35
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+ Hits 20829 20999 +170
+ Misses 1727 1707 -20
- Partials 555 567 +12
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EasyDiffraction now supports the dimensionless β-tensor convention for anisotropic atomic displacement parameters, alongside the existing B and U (isotropic and anisotropic) forms.
You can now:
adp_type='beta'directly when creating an atom and fill in the components afterwards.This release also fixes interactive plots in JupyterLab dark mode, so the reflection-comparison plot's metrics box no longer stays light-grey against the dark theme.