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lattice types, data caclulation functions
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@mpatrou
mpatrou committed Dec 3, 2024
1 parent 25a174e commit 332097d
Showing 1 changed file with 30 additions and 30 deletions.
60 changes: 30 additions & 30 deletions docs/source/design/hyspecpptclasses.rst
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Original file line number Diff line number Diff line change
Expand Up @@ -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()
}
Expand All @@ -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
Expand All @@ -96,21 +96,21 @@ The function signatures and description are included below.
"delta_e": <d_e>,
"mod_q" : <m_q>,
"graph_type" : <g_a>,
"sc_parametes" :
"sc_parameters" :
{
"lattice_a":<a>,
"lattice_b":<b>,
"lattice_c":<c>,
"lattice_alpha":<alpha>,
"lattice_beta":<beta>,
"lattice_gamma":<gamma>,
"lattice unit_h":<h>,
"lattice unit_k":<k>,
"lattice unit_l":<l>
"lattice_unit_h":<h>,
"lattice_unit_k":<k>,
"lattice_unit_l":<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
{
Expand All @@ -121,7 +121,7 @@ The function signatures and description are included below.
"delta_e": <d_e>,
"mod_q" : <m_q>,
"graph_type" : <g_a>,
"sc_parametes" : {}
"sc_parameters" : {}
}
The data structure is similar to the ones used in get_data() and set_data() for consistency.
Expand Down Expand Up @@ -152,17 +152,17 @@ The function signatures and description are included below.
"delta_e": <d_e>,
"mod_q" : <m_q>,
"graph_type" : <g_a>,
"sc_parametes" :
"sc_parameters" :
{
"lattice_a":<a>,
"lattice_b":<b>,
"lattice_c":<c>,
"lattice_alpha":<alpha>,
"lattice_beta":<beta>,
"lattice_gamma":<gamma>,
"lattice unit_h":<h>,
"lattice unit_k":<k>,
"lattice unit_l":<l>
"lattice_unit_h":<h>,
"lattice_unit_k":<k>,
"lattice_unit_l":<l>
}
}
Expand All @@ -180,21 +180,21 @@ The function signatures and description are included below.
"delta_e": <d_e>,
"mod_q" : <m_q>,
"graph_type" : <g_a>,
"sc_parametes" :
"sc_parameters" :
{
"lattice_a":<a>,
"lattice_b":<b>,
"lattice_c":<c>,
"lattice_alpha":<alpha>,
"lattice_beta":<beta>,
"lattice_gamma":<gamma>,
"lattice unit_h":<h>,
"lattice unit_k":<k>,
"lattice unit_l":<l>
"lattice_unit_h":<h>,
"lattice_unit_k":<k>,
"lattice_unit_l":<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
Expand All @@ -206,13 +206,13 @@ The function signatures and description are included below.
"delta_e": <d_e>,
"mod_q" : <m_q>,
"graph_type" : <g_a>,
"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
Expand All @@ -237,9 +237,9 @@ The get_emin and calculate_qmod functions are only used internally in the Sample
"lattice_alpha":<alpha>,
"lattice_beta":<beta>,
"lattice_gamma":<gamma>,
"lattice unit_h":<h>,
"lattice unit_k":<k>,
"lattice unit_l":<l>
"lattice_unit_h":<h>,
"lattice_unit_k":<k>,
"lattice_unit_l":<l>
}
* def set_parameters() --> Dict : The function returns a dictionary with the SingleCrystalParameters field values.
Expand All @@ -253,9 +253,9 @@ The get_emin and calculate_qmod functions are only used internally in the Sample
"lattice_alpha":<alpha>,
"lattice_beta":<beta>,
"lattice_gamma":<gamma>,
"lattice unit_h":<h>,
"lattice unit_k":<k>,
"lattice unit_l":<l>
"lattice_unit_h":<h>,
"lattice_unit_k":<k>,
"lattice_unit_l":<l>
}
The data structure is the same in set_parameters() and get_parameters() for consistency.
Expand Down

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