fix the multi-column load #376 - #413
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## develop #413 +/- ##
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Review follow-ups on the _load_txt/merge_datagroups fix: - The resolution variances are ~1e-9, so asserting them with assert_almost_equal passed even against zeros. Use assert_allclose with a relative tolerance in the three txt loading tests. - Cover a single-row file (the ndmin=2 path, which raised before this branch) and a comma-delimited file with extra columns. - Merge two different datasets of different lengths under a shared key, and assert dims, unit, length, order and variances. Merging a file with itself could not detect a reversed concatenation or lost uncertainties. - Say "additional numeric columns" (numpy still parses the whole file, so a trailing text column remains an error) and "the ORSO default" (the spec also permits FWHM, which the ORSO loader converts). State the sigma requirement on the public load() too. Co-Authored-By: Claude Opus 5 (1M context) <noreply@anthropic.com>
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Sep 18, 2026
* Polarized channels (#393) * initial version * added magnetic SLD profile * added magnetic parameters * code review comments addressed * code review fixes for Phase 2, added notebook * PR code review comments * fixed polarized file load issue * enable magnetic layers * new LayerMagnetism component * ruff * ruff on notebooks * bind calculator to model for performance * attempt at fixing package testing * package tests only on master * don't run ruff twice * code review fixes * added polarized fitting example/notebook * fixed default sample generation * improved wording in the magnetic fitting notebook * move the most expensive test to integration * dont show 0.0 for parameter errors where no fitting was done (#397) * removed vestiges of BA (#394) * Improved constraints + doc migration (#400) * initial version * added magnetic SLD profile * added magnetic parameters * ruff * code review comments addressed * code review fixes for Phase 2, added notebook * ruff * PR code review comments * fixed polarized file load issue * enable magnetic layers * new LayerMagnetism component * ruff * ruff on notebooks * bind calculator to model for performance * attempt at fixing package testing * package tests only on master * don't run ruff twice * code review fixes * added polarized fitting example/notebook * fixed default sample generation * improved wording in the magnetic fitting notebook * move the most expensive test to integration * Improved constraints (#395) * improved handling of constraints * ruff * wording * additional cell in a notebook to showcase the new way of doing constraints * fixed notebook * initial checkin * .bounds -> min, max * updates so the code is self-contained and doesn't depend on changes to core * Code review comments addressed * Updated docs (#398) * move everything to MKDocs * ruff fix for notebook * Fix broken conflict resolutions from develop merge * code review issues addressed * removed explicit EasyCore constraints factory reliance * Orso improvements (#402) * initial commit * code review fixes * more unit tests for orso functionality * Enable SLD dependence on material data (#403) * enable SLD dependence on material data * extending methods for use in ERA * code review issues addressed * make molecular weight a descriptor * Improvements to the state tracking #401 (#405) * Improvements to the state tracking #401 * PR issues addressed * minor ruff NOQA * reparent to develop of core and fixed the functionality * minor material editor fix (#408) * fix default elements (#410) * 378 remove datastore (#409) * Removed DataStore * Added exception when file exists and overwrite=false (#411) * fix the multi-column load #376 (#413) * fix the multi-column load #376 * preparations for the release * updated EasyScience dep * pre-release doc fixes
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Data loading improvements:
_load_txtto always read the first four columns as Qz, R, sR, sQz (in ORSO order), ignoring any extra columns, and clarified in the docstring that error columns are treated as standard deviations and squared to obtain variances.Data merging improvements:
merge_datagroupsto usesc.concatalong the correct dimension when merging shared keys, ensuring proper concatenation instead of overwriting.