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feat: expose ReflectionProfileDoubleExponentialPseudoVoigt TOF profile - #120
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Bind the double-exponential pseudo-Voigt profile in reflectionprofile_ext.cpp so TOF Rietveld refinement no longer needs an XMLInput workaround. PowderPatternDiffraction.SetProfile now gives this profile the component crystal's unit cell, as ObjCryst++ does in SetCrystal and XMLInput, since it needs d_hkl. Co-Authored-By: Claude Opus 5.5 <noreply@anthropic.com>
Co-authored-by: Copilot App <223556219+Copilot@users.noreply.github.com>
Co-authored-by: Copilot App <223556219+Copilot@users.noreply.github.com>
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…obind (#122) * feat: port March-Dollase texture (#119) and TOF profile (#120) to nanobind - Bind TextureMarchDollase and PowderPatternDiffraction.GetTextureMarchDollase. SetPhasePar is bound directly (no RefinablePar workaround) since the objcryst submodule (ba6ca89, vincefn/objcryst#105) now clicks the texture clock; DeletePhase is also exposed. - TextureMarchDollase has RefinableObj as a second (non-zero offset) base, so it is registered standalone with bind_refinableobj_forwarding and added to extractRefinableObjArg. - Bind ReflectionProfileDoubleExponentialPseudoVoigt; SetProfile gives a TOF profile copy the crystal's unit cell. - Port tests and news items, with extra DeletePhase tests. Co-authored-by: Copilot App <223556219+Copilot@users.noreply.github.com> * [pre-commit.ci] auto fixes from pre-commit hooks * ci: check out submodules and exclude vendored extern/ from pre-commit - Pass submodules: 'true' to the scikit-package reusable workflows, so that extern/objcryst is available when building. - Exclude extern/ (objcryst submodule, vendored cctbx and newmat) from pre-commit hooks. - Remove duplicated test_lsq_compiled_refined_obj_erase_all_param_set (F811) and fix a typo flagged by codespell. Co-authored-by: Copilot App <223556219+Copilot@users.noreply.github.com> * [pre-commit.ci] auto fixes from pre-commit hooks * [pre-commit.ci] auto fixes from pre-commit hooks * docs: keep inline code on one line so prettier output is stable Co-authored-by: Copilot App <223556219+Copilot@users.noreply.github.com> * revert: restore vendored extern/ sources modified by pre-commit.ci autofix Co-authored-by: Copilot App <223556219+Copilot@users.noreply.github.com> --------- Co-authored-by: Copilot App <223556219+Copilot@users.noreply.github.com> Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com>
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closes #117
Bind the double-exponential pseudo-Voigt profile in reflectionprofile_ext.cpp so TOF Rietveld refinement no longer needs an XMLInput workaround. PowderPatternDiffraction.SetProfile now gives this profile the component crystal's unit cell, as ObjCryst++ does in SetCrystal and XMLInput, since it needs d_hkl.