casinotools.file_format.casino2.region module¶

Region data from CASINO v2.

class casinotools.file_format.casino2.region.Region(number_xray_layers)[source]¶

Bases: object

_check_atomic_fraction()[source]¶

_check_weight_fraction()[source]¶

_compute_atomic_fraction_elements()[source]¶

_compute_mean_atomic_number()[source]¶

_compute_mean_mass_density_g_cm3()[source]¶

_compute_number_elements()[source]¶

_generate_name()[source]¶

add_element(symbol, weight_fraction=1.0, number_xray_layers=500)[source]¶

get_element(index)[source]¶

get_element_by_symbol(symbol)[source]¶

get_elements()[source]¶

get_mean_atomic_number()[source]¶

get_mean_mass_density_g_cm3()[source]¶

get_name()[source]¶

get_number_elements()[source]¶

get_parameters()[source]¶

is_user_mass_density()[source]¶

read(file, version)[source]¶

remove_all_elements()[source]¶

set_element(element_symbol, weight_fraction=1.0, number_xray_layers=500, index_element=0)[source]¶

set_parameters(parameters)[source]¶

update()[source]¶

write(file)[source]¶