acore.py 文件源码

def get_xsf_stored(self, logger, charge, xsf_type='MoKa'):

        # Set up dictionary of the prestored scattering factors
        xsf_dict = {'MoKa': (pse_mo_xsf_1, pse_mo_xsf_2), 'CuKa': (pse_cu_xsf_1, pse_cu_xsf_2),
                    'CoKa': (pse_co_xsf_1, pse_co_xsf_2), 'FeKa': (pse_fe_xsf_1, pse_fe_xsf_2),
                    'CrKa': (pse_cr_xsf_1, pse_cr_xsf_2)}

        if not xsf_type in ['MoKa', 'CuKa', 'CoKa', 'FeKa', 'CrKa']:  # Check for valid user input

            logger.pt_xsf_wrong_source()
            xsf_type = 'MoKa'

        # Get scattering factors from nuclear charge
        chosen_xsf_1, chosen_xsf_2 = xsf_dict[xsf_type]
        xsf1, xsf2 = np.take(chosen_xsf_1, charge - 1), np.take(chosen_xsf_2, charge - 1)

        # Return value(s)
        return xsf1, xsf2