From 332097d0eb1e5dd5056c809f483cd39446e901c8 Mon Sep 17 00:00:00 2001 From: "Patrou, Maria" Date: Tue, 3 Dec 2024 09:35:12 -0500 Subject: [PATCH] lattice types, data caclulation functions --- docs/source/design/hyspecpptclasses.rst | 60 ++++++++++++------------- 1 file changed, 30 insertions(+), 30 deletions(-) diff --git a/docs/source/design/hyspecpptclasses.rst b/docs/source/design/hyspecpptclasses.rst index ebee4b1..9defe67 100644 --- a/docs/source/design/hyspecpptclasses.rst +++ b/docs/source/design/hyspecpptclasses.rst @@ -47,9 +47,9 @@ every time there are new valid values received from the user (front end). +float lattice_alpha +float lattice_beta +float lattice_gamma - +str lattice unit_h - +str lattice unit_k - +str lattice unit_l + +float lattice_unit_h + +float lattice_unit_k + +float lattice_unit_l +get_parameters() +set_paraeters() } @@ -73,9 +73,9 @@ More specifically the parameters with their values are: * lattice_alpha = 90 * lattice_beta = 90 * lattice_gamma = 90 - * lattice unit_h = 0 - * lattice unit_k = 0 - * lattice unit_l = 0 + * lattice_unit_h = 0 + * lattice_unit_k = 0 + * lattice_unit_l = 0 * number_of_pixels = 200 Functions @@ -96,7 +96,7 @@ The function signatures and description are included below. "delta_e": , "mod_q" : , "graph_type" : , - "sc_parametes" : + "sc_parameters" : { "lattice_a":, "lattice_b":, @@ -104,13 +104,13 @@ The function signatures and description are included below. "lattice_alpha":, "lattice_beta":, "lattice_gamma":, - "lattice unit_h":, - "lattice unit_k":, - "lattice unit_l": + "lattice_unit_h":, + "lattice_unit_k":, + "lattice_unit_l": } } - In case of Powder mode the sc_parameters are not populated/included in the data dictionary and the sc_parametes is ignored for model data update e.g.: + In case of Powder mode the sc_parameters are not populated/included in the data dictionary and the sc_parameters is ignored for model data update e.g.: .. code-block:: bash { @@ -121,7 +121,7 @@ The function signatures and description are included below. "delta_e": , "mod_q" : , "graph_type" : , - "sc_parametes" : {} + "sc_parameters" : {} } The data structure is similar to the ones used in get_data() and set_data() for consistency. @@ -152,7 +152,7 @@ The function signatures and description are included below. "delta_e": , "mod_q" : , "graph_type" : , - "sc_parametes" : + "sc_parameters" : { "lattice_a":, "lattice_b":, @@ -160,9 +160,9 @@ The function signatures and description are included below. "lattice_alpha":, "lattice_beta":, "lattice_gamma":, - "lattice unit_h":, - "lattice unit_k":, - "lattice unit_l": + "lattice_unit_h":, + "lattice_unit_k":, + "lattice_unit_l": } } @@ -180,7 +180,7 @@ The function signatures and description are included below. "delta_e": , "mod_q" : , "graph_type" : , - "sc_parametes" : + "sc_parameters" : { "lattice_a":, "lattice_b":, @@ -188,13 +188,13 @@ The function signatures and description are included below. "lattice_alpha":, "lattice_beta":, "lattice_gamma":, - "lattice unit_h":, - "lattice unit_k":, - "lattice unit_l": + "lattice_unit_h":, + "lattice_unit_k":, + "lattice_unit_l": } } - In case of Powder mode the sc_parameters are not populated/included in the data dictionary and the sc_parametes is ignored for model data update e.g.: + In case of Powder mode the sc_parameters are not populated/included in the data dictionary and the sc_parameters is ignored for model data update e.g.: .. code-block:: bash @@ -206,13 +206,13 @@ The function signatures and description are included below. "delta_e": , "mod_q" : , "graph_type" : , - "sc_parametes" : {} + "sc_parameters" : {} } * get_emin(delta_e, incident_energy_e) --> float : The function returns the e_min value, based on delta_e and incident_energy_e. If delta_e < -incident_energy_e, then e_min =1.2* delta_e, else e_min = delta_e. -* calculate_qmod() --> float : The function returns qmod. It calculates the value from the sc_parametes (SingleCrystal mode). -* calculate_crosshair() --> dict : The function calculates the crosshair x and y float values from the sc_parametes (SingleCrystal mode). The following format is returned: +* calculate_qmod() --> float : The function returns qmod. It calculates the value from the sc_parameters (SingleCrystal mode). +* calculate_crosshair() --> dict : The function calculates the crosshair x and y float values from the sc_parameters (SingleCrystal mode). The following format is returned: .. code-block:: bash @@ -237,9 +237,9 @@ The get_emin and calculate_qmod functions are only used internally in the Sample "lattice_alpha":, "lattice_beta":, "lattice_gamma":, - "lattice unit_h":, - "lattice unit_k":, - "lattice unit_l": + "lattice_unit_h":, + "lattice_unit_k":, + "lattice_unit_l": } * def set_parameters() --> Dict : The function returns a dictionary with the SingleCrystalParameters field values. @@ -253,9 +253,9 @@ The get_emin and calculate_qmod functions are only used internally in the Sample "lattice_alpha":, "lattice_beta":, "lattice_gamma":, - "lattice unit_h":, - "lattice unit_k":, - "lattice unit_l": + "lattice_unit_h":, + "lattice_unit_k":, + "lattice_unit_l": } The data structure is the same in set_parameters() and get_parameters() for consistency.