prjemian
commented
4 months ago This issue is a central feature of hklpy2, the 2nd generation hklpy.
In hklpy2, solvers are identified as project entrypoints such as these examples:
[project.entry-points."hklpy2.solver"]
no_op = "hklpy2.backends.no_op:NoOpSolver"
hkl_soleil = "hklpy2.backends.hkl_soleil:HklSolver"
th_tth = "hklpy2.backends.th_tth_q:ThTthSolver"
Currently, libhkl (the Hkl library) is integral to several modules (such as calc & sample) and is the central datastore of the crystallographic information (such as reflections, #143). Refactor so the hklpy Python code is the central datastore of all information. When needed, hklpy should identify which back-end (known as solver in #14) is to be used, then configure the back-end as needed.
This refactor will enable hklpy to call different back-end solvers, other than libhkl. An added benefit, eventually, will allow this code to run on systems where libhkl is not compiled.