ENH:Expose PDF3DCalculator in Python bindings#88
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We are moving from boost to nanobind. This is on the nano branch which is what we should use as base branch.
Also, we will have to migrate the libdiffpy code also. Maybe merge the nano branch into 3DPDF branch?
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Hi @sbillinge @dragonyanglong ,
This PR exposes the new libdiffpy PDF3DCalculator through diffpy.srreal.
It adds the Boost.Python binding for PDF3DCalculator, NumPy accessors for the
3D PDF and radial histogram outputs, binary grid export, delta pair filtering,
pickle support, and Python-side property wrappers for the 3D calculator
attributes.
This PR depends on the companion libdiffpy PR that adds PDF3DCalculator and
its supporting C++ helpers.