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Summary of changes:

  • allow to build the library via pip install . outside of a conda env using sysconfig to find the location of the shared libs.

  • added python bindings for the ReflectionProfile public methods:

      GetProfile, GetFullProfileWidth, XMLOutput, XMLInput
    

Tested on Ubuntu 24.04 and Windows 11.

@vincefn
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vincefn commented Nov 7, 2025

Hi @ezatterin - thanks for the changes and the fix.

Could you add a unit test (for good measure) with the new functions ?

I think the PR also needs a News item according to the template, as explained in https://scikit-package.github.io/scikit-package/programming-guides/billinge-group-standards.html#news-item-practice, but I'll let @Tieqiong or @sbillinge comment on this sicne I'm not yet a practitioner.

@sbillinge
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yes, thanks @ezatterin and @vincefn . The news will turn into the changelog at the next release.

@ezatterin ezatterin marked this pull request as draft November 12, 2025 14:48
@ezatterin ezatterin marked this pull request as ready for review November 21, 2025 10:25
@ezatterin
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Finally made it 🚀 I had to add an additional wrapper to use the assignCrystVector helper function for ReflectionProfile.GetProfile() to accept python sequences as x input, instead of just CrystVector as in the original C++ implementation.

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3 participants