Source code for matador.data.atomic_scattering.atomic_scattering_loaders

# coding: utf-8
# Distributed under the terms of the MIT License.

""" This submodule provides data loaders for the tabulated atomic
scattering data stored within the module.

"""


[docs]def load_scattering_file(filename, a_inds, b_inds, c_ind): """ Load a scattering file with a, b and c coefficients in the columns provided. """ import numpy as np with open(filename, "r") as f: flines = [line for line in f.readlines() if not line.startswith("#")] atomic_scattering_coeffs = {} for line in flines: x = line.split() label = x[0] a = np.array([float(x[ind]) for ind in a_inds]) b = np.array([float(x[ind]) for ind in b_inds]) c = float(x[c_ind]) atomic_scattering_coeffs[label] = [a, b, c] return atomic_scattering_coeffs