casinotools.file_format.casino2 package¶
Submodules¶
- casinotools.file_format.casino2.composition module
- casinotools.file_format.casino2.element module
ElementElement.get_atomic_fraction()Element.get_atomic_number()Element.get_atomic_weight_g_mol()Element.get_composition()Element.get_depth_xray_distribution()Element.get_depth_xray_distribution_by_line_type()Element.get_depth_xray_distribution_layer()Element.get_depth_xray_distribution_layer_by_line_type()Element.get_mass_density_g_cm3()Element.get_radial_xray_distribution()Element.get_repetition()Element.get_symbol()Element.get_total_xray_intensities()Element.get_total_xray_intensities_1_esr()Element.get_total_xray_intensity_by_line_type()Element.get_weight_fraction()Element.read()Element.set_atomic_fraction()Element.set_element()Element.set_weight_fraction()Element.write()
compute_j()compute_k()get_atom()
- casinotools.file_format.casino2.element_intensity module
- casinotools.file_format.casino2.file module
- casinotools.file_format.casino2.generate_sim_file module
GenerateSimFileGenerateSimFile._add_element()GenerateSimFile._extract_option_simulation_data()GenerateSimFile._remove_all_elements()GenerateSimFile.add_elements()GenerateSimFile.get_option_simulation_data()GenerateSimFile.save()GenerateSimFile.set_beam_angle_deg()GenerateSimFile.set_direction_cosines()GenerateSimFile.set_electron_elastic_cross_section()GenerateSimFile.set_incident_energy_keV()GenerateSimFile.set_ionization_cross_section()GenerateSimFile.set_ionization_potential()GenerateSimFile.set_number_electrons()GenerateSimFile.set_toa_deg()
- casinotools.file_format.casino2.graph_data module
- casinotools.file_format.casino2.line module
- casinotools.file_format.casino2.mean_ionization_potential module
- casinotools.file_format.casino2.region module
RegionRegion._check_atomic_fraction()Region._check_weight_fraction()Region._compute_atomic_fraction_elements()Region._compute_mean_atomic_number()Region._compute_mean_mass_density_g_cm3()Region._compute_number_elements()Region._generate_name()Region.add_element()Region.get_element()Region.get_element_by_symbol()Region.get_elements()Region.get_mean_atomic_number()Region.get_mean_mass_density_g_cm3()Region.get_name()Region.get_number_elements()Region.get_parameters()Region.is_user_mass_density()Region.read()Region.remove_all_elements()Region.set_element()Region.set_parameters()Region.update()Region.write()
- casinotools.file_format.casino2.region_options module
- casinotools.file_format.casino2.scattering_event module
- casinotools.file_format.casino2.simulation_data module
SimulationDataSimulationData._read_region_options()SimulationData._read_simulation_options()SimulationData._read_simulation_results()SimulationData._read_trajectories()SimulationData._write_region_options()SimulationData._write_simulation_options()SimulationData._write_simulation_results()SimulationData._write_trajectories()SimulationData.get_region_options()SimulationData.get_simulation_options()SimulationData.get_simulation_results()SimulationData.get_total_xray_intensities()SimulationData.get_total_xray_intensities_1_esr()SimulationData.get_trajectories_data()SimulationData.get_version()SimulationData.read()SimulationData.set_regions_options()SimulationData.set_simulation_options()SimulationData.write()
- casinotools.file_format.casino2.simulation_options module
SimulationOptionsSimulationOptions.get_beam_angle_deg()SimulationOptions.get_bse_coefficient()SimulationOptions.get_direction_cosines()SimulationOptions.get_energy_loss_type()SimulationOptions.get_incident_energy_keV()SimulationOptions.get_ionization_cross_section_type()SimulationOptions.get_ionization_potential_type()SimulationOptions.get_line_scan_parameters()SimulationOptions.get_maximum_depth_nm()SimulationOptions.get_maximum_lateral_width()SimulationOptions.get_number_electrons()SimulationOptions.get_number_x_ray_layers()SimulationOptions.get_partial_electron_elastic_cross_section()SimulationOptions.get_random_number_generator_type()SimulationOptions.get_toa_deg()SimulationOptions.get_total_electron_elastic_cross_section()SimulationOptions.read()SimulationOptions.set_beam_angle_deg()SimulationOptions.set_direction_cosines()SimulationOptions.set_elastic_cross_section_type()SimulationOptions.set_energy_loss_type()SimulationOptions.set_incident_energy_keV()SimulationOptions.set_ionization_cross_section_type()SimulationOptions.set_ionization_potential_type()SimulationOptions.set_linescan_parameters()SimulationOptions.set_number_electrons()SimulationOptions.set_partial_electron_elastic_cross_section()SimulationOptions.set_position()SimulationOptions.set_random_number_generator_type()SimulationOptions.set_toa_deg()SimulationOptions.set_total_electron_elastic_cross_section()SimulationOptions.set_total_thickness_nm()SimulationOptions.write()
get_direction_cosines_string()get_elastic_cross_section_type_string()get_energy_loss_string()get_ionization_cross_section_type_string()get_ionization_potential_type_string()get_random_number_generator_string()
- casinotools.file_format.casino2.simulation_results module
SimulationResultsSimulationResults._read_backscattered_angle()SimulationResults._read_backscattered_energy()SimulationResults._read_backscattered_energy_t()SimulationResults._read_bse_angle_energie()SimulationResults._read_bse_intensity()SimulationResults._read_deposited_energy()SimulationResults._read_dncr()SimulationResults._read_maximum_depth()SimulationResults._read_surface_radius_bse()SimulationResults.get_backscattered_angle_distribution()SimulationResults.get_backscattered_energy_distribution()SimulationResults.get_backscattered_maximum_depth_distribution()SimulationResults.get_backscattered_maximum_depth_range()SimulationResults.get_energy_absorbed_keV()SimulationResults.get_maximum_energy_absorbed_keV()SimulationResults.get_number_points_energy_absorbed()SimulationResults.get_number_points_energy_absorbed_x()SimulationResults.get_number_points_energy_absorbed_y()SimulationResults.get_number_points_energy_absorbed_z()SimulationResults.get_surface_radius_bse_distribution()SimulationResults.get_transmitted_energy_distribution()SimulationResults.is_backscattered_angle_distribution()SimulationResults.is_backscattered_energy_distribution()SimulationResults.is_backscattered_maximum_depth_distribution()SimulationResults.is_surface_radius_bse_distribution()SimulationResults.is_transmitted_energy_distribution()SimulationResults.read()
_compute_depth_range()
- casinotools.file_format.casino2.trajectories_data module
- casinotools.file_format.casino2.trajectory module
- casinotools.file_format.casino2.version module
- casinotools.file_format.casino2.xray_radial module
- casinotools.file_format.casino2.xray_radial_reader module
XrayRadialReaderXrayRadialReader._extractDataLabelLineDataElement()XrayRadialReader._extractDataLabelLineDataElementLine()XrayRadialReader._extractHeaderLineDataElement()XrayRadialReader._extractHeaderLineDataElementLine()XrayRadialReader._extractValueLineData()XrayRadialReader._isDataLabelLine()XrayRadialReader._isHeaderLine()XrayRadialReader._isValueLine()XrayRadialReader._setTextFileVersion()XrayRadialReader.getData()XrayRadialReader.getDataLabels()XrayRadialReader.readTextFile()
Module contents¶
Description