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Initial implementation of the crystal structure visualization#186

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AndrewSazonov merged 160 commits into
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crysview-structure-visualization
Jun 1, 2026
Merged

Initial implementation of the crystal structure visualization#186
AndrewSazonov merged 160 commits into
developfrom
crysview-structure-visualization

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Cover the new single_crystal_axis_range / single_crystal_tick_step
helpers, the data-coordinate diagonal and smaller markers/error bars in
the Plotly trace, and the shared x/y range, tick step, and diagonal
colour in the report fit-plot context.
Round the shared tick step to the nearest 1/2/5 power of ten and anchor
ticks at 0, so both axes read 0, 500, ..., 2500 (was 750-spaced from the
padded minimum). Colour the marker stroke like the fill to drop the ring,
and thin the error-bar line and caps.
Add a regression that the padded heidi range rounds to a 500 step (not
750) and assert the marker stroke colour matches the fill.
@AndrewSazonov AndrewSazonov added the [scope] enhancement Adds/improves features (major.MINOR.patch) label Jun 1, 2026
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codecov Bot commented Jun 1, 2026

Codecov Report

❌ Patch coverage is 86.31285% with 49 lines in your changes missing coverage. Please review.
✅ Project coverage is 86.01%. Comparing base (dcc0aa6) to head (cc47350).

Files with missing lines Patch % Lines
src/easydiffraction/display/plotters/plotly.py 81.25% 17 Missing and 13 partials ⚠️
src/easydiffraction/analysis/enums.py 16.66% 10 Missing ⚠️
...easydiffraction/crystallography/crystallography.py 86.36% 2 Missing and 1 partial ⚠️
src/easydiffraction/analysis/analysis.py 75.00% 1 Missing and 1 partial ⚠️
.../easydiffraction/analysis/fit_helpers/reporting.py 75.00% 1 Missing and 1 partial ⚠️
src/easydiffraction/__main__.py 0.00% 1 Missing ⚠️
.../easydiffraction/datablocks/structure/item/base.py 90.90% 1 Missing ⚠️
Additional details and impacted files

Impacted file tree graph

@@             Coverage Diff             @@
##           develop     #186      +/-   ##
===========================================
+ Coverage    85.35%   86.01%   +0.66%     
===========================================
  Files          235      258      +23     
  Lines        20300    21631    +1331     
  Branches      2383     2518     +135     
===========================================
+ Hits         17327    18606    +1279     
- Misses        2054     2071      +17     
- Partials       919      954      +35     
Flag Coverage Δ
integration 69.24% <58.93%> (-1.20%) ⬇️
unittests 79.81% <85.47%> (+1.10%) ⬆️

Flags with carried forward coverage won't be shown. Click here to find out more.

Files with missing lines Coverage Δ
...s/categories/fit_parameter_correlations/default.py 100.00% <100.00%> (ø)
...diffraction/analysis/categories/fit_result/base.py 98.46% <100.00%> (ø)
...c/easydiffraction/analysis/fit_helpers/bayesian.py 94.07% <100.00%> (+0.02%) ⬆️
src/easydiffraction/core/validation.py 95.23% <100.00%> (ø)
src/easydiffraction/core/variable.py 91.72% <100.00%> (+1.22%) ⬆️
...s/experiment/categories/experiment_type/default.py 100.00% <100.00%> (ø)
...experiment/categories/extinction/becker_coppens.py 100.00% <100.00%> (ø)
...tion/datablocks/experiment/categories/peak/base.py 100.00% <100.00%> (+9.52%) ⬆️
...ablocks/structure/categories/atom_sites/default.py 91.12% <100.00%> (+0.03%) ⬆️
...n/datablocks/structure/categories/geom/__init__.py 100.00% <100.00%> (ø)
... and 60 more

... and 1 file with indirect coverage changes

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@AndrewSazonov AndrewSazonov merged commit 2d46651 into develop Jun 1, 2026
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@AndrewSazonov AndrewSazonov deleted the crysview-structure-visualization branch June 1, 2026 19:23
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