cctbx.eltbx package

Subpackages

• cctbx.eltbx.development package
  • Submodules
    • cctbx.eltbx.development.combine_fits module
      • main()
      • pick_nicest_fit()
      • reset_max_error()
    • cctbx.eltbx.development.create_n_gaussian_raw_cpp module
      • identifier()
      • run()
      • write_fit_group()
      • write_header()
      • write_labels()
      • write_module_info()
      • write_table()
      • write_tail()
    • cctbx.eltbx.development.e_scattering_plots module
      • run()
    • cctbx.eltbx.development.format_gaussian_fits module
      • cross_check()
      • expected_labels()
      • labeled_fit
      • main()
      • read_pickled_fits
      • run()
    • cctbx.eltbx.development.hydrogen_plots module
      • fit_input
      • run()
    • cctbx.eltbx.development.itvc_approx module
      • main()
      • run()
    • cctbx.eltbx.development.itvc_cross_validation module
      • main()
      • run()
      • show_differences_if_any()
    • cctbx.eltbx.development.itvc_fits module
      • main()
      • run()
      • run_and_time()
    • cctbx.eltbx.development.itvc_kissel module
    • cctbx.eltbx.development.itvc_section61_io module
      • read_table6111()
      • table6111
        • table6111.enter_block()
        • table6111.enter_entry()
      • table6111_entry
    • cctbx.eltbx.development.kissel_fits module
      • main()
      • run()
      • run_and_time()
    • cctbx.eltbx.development.kissel_io module
      • main()
      • read_table()
      • table
        • table.itvc_sampling_selection()
    • cctbx.eltbx.development.rez_rez_grant module
      • run()
  • Module contents
• cctbx.eltbx.xray_scattering package
  • Module contents
    • best_approximation()
    • fitted_gaussian
      • fitted_gaussian.show()
      • fitted_gaussian.sort()
    • get_element_and_charge_symbols()
    • one_gaussian_agarwal_1978
      • one_gaussian_agarwal_1978.source
      • one_gaussian_agarwal_1978.source_short
      • one_gaussian_agarwal_1978.table
    • two_gaussian_agarwal_1978
      • two_gaussian_agarwal_1978.source
      • two_gaussian_agarwal_1978.source_short
      • two_gaussian_agarwal_1978.table
    • two_gaussian_agarwal_isaacs
      • two_gaussian_agarwal_isaacs.source
      • two_gaussian_agarwal_isaacs.source_short
      • two_gaussian_agarwal_isaacs.table

Submodules

• cctbx.eltbx.attenuation_coefficient module
  • chemlex()
  • get_table()
  • nist_elements
    • nist_elements.atomic_number()
    • nist_elements.atomic_number_list()
    • nist_elements.symbol()
    • nist_elements.symbol_list()
• cctbx.eltbx.chemical_elements module
• cctbx.eltbx.covalent_radii module
• cctbx.eltbx.distance_based_connectivity module
  • build_edge_list()
  • tst_build_edge_list()
• cctbx.eltbx.e_scattering module
  • ito_vol_c_2011_table_4_3_2_2_elements()
  • ito_vol_c_2011_table_4_3_2_2_entry_as_gaussian()
• cctbx.eltbx.formula module
  • formula
    • formula.sorted_as_c_h_then_by_increasing_atomic_number()
• cctbx.eltbx.fp_fdp module
• cctbx.eltbx.gaussian_fit module
  • decremental_fits()
  • fit_parameters
    • fit_parameters.quick()
  • incremental_fits()
  • show_fit_summary()
  • show_literature_fits()
  • write_plot()
  • write_plots()
  • zig_zag_fits()
• cctbx.eltbx.henke module
• cctbx.eltbx.icsd_radii module
• cctbx.eltbx.neutron module
• cctbx.eltbx.sasaki module
• cctbx.eltbx.tiny_pse module
• cctbx.eltbx.van_der_waals_radii module
  • vdw
    • vdw.table
• cctbx.eltbx.wavelengths module

Module contents