feat: add functions to calculate δ, β, n, and k components of the ind… #111
+149
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This pull request adds new utility functions to the
periodictable/xsf.pymodule to enable more granular calculations of the index of refraction for X-ray scattering. These functions allow users to separately compute the δ (delta), β (beta), n (real part), and k (imaginary part) components, improving the flexibility and clarity of the API for scientific usage.Resolves #103
New index of refraction component calculations:
deltafunction to calculate the δ component of the index of refraction for a compound, with support for both energy and wavelength inputs.betafunction to calculate the β component of the index of refraction for a compound, using a standard sign convention for the imaginary part.Convenience functions for real and imaginary parts:
nfunction to compute the real part of the index of refraction (n = 1 - delta).kfunction to compute the imaginary part of the index of refraction (k = beta).TODO:
There are still some things that I have not checked.