hsypec start files updated, model class design, environment with late…

…st matplotlib and Pyside6 error resolved

docs/source/design/hyspecpptclasses.rst

@@ -1,56 +1,268 @@
 .. _hyspecpptclasses:
 
 Model-View-Presenter
-=====================
+######################
+
 
 
 
 HyspecPPT Model
-----------------
++++++++++++++++
+
+The HyspecPPTModel encapsulates the backend functionality. It maintains one object: sample (Sample) that has all the valid-calculated values. The object fields are updated
+every time there are new valid values received from the user (front end).
 
 .. mermaid::
 
  classDiagram
-    HyspecPPTModel <|-- SingleCrystalModel
-    HyspecPPTModel <|-- PowderModel
+    HyspecPPTModel <|-- Sample
+    Sample "1" -->"1" SingleCrystalParameters
 
 
     class HyspecPPTModel{
-        <<Abstract>>
-        +Double incident_energy_e
-        +Double detector_tank_angle_s
-        +Double polarization_direction_angle_p
-        +Double delta_e
-        +Double mod_q
-        +Option graph_type
+        +Sample sample
+    }
+
+    class Sample{
+        +str current_sample_type
+        +float incident_energy_e
+        +float detector_tank_angle_s
+        +float polarization_direction_angle_p
+        +float delta_e
+        +float mod_q
+        +str graph_type
+        +SingleCrystalParameters sc_parameters
         +calculate_graph_data()
-        +get_model_data()
+        +get_data()
         +store_data()
-
+        -get_emin(delta_e, incident_energy_e)
+        -calculate_qmod()
+        -calculate_crosshair()
     }
 
-    class SingleCrystalModel{
-        +Double single_crystal_a
-        +Double single_crystal_b
-        +Double single_crystal_c
-        +Double single_crystal_alpha
-        +Double single_crystal_beta
-        +Double single_crystal_gamma
-        +String single_crystal_h
-        +String single_crystal_k
-        +String single_crystal_l
-        +calculate_qmod()
-        +get_single_crystal_data()
+    class SingleCrystalParameters{
+        +float lattice_a
+        +float lattice_b
+        +float lattice_c
+        +float lattice_alpha
+        +float lattice_beta
+        +float lattice_gamma
+        +str lattice unit_h
+        +str lattice unit_k
+        +str lattice unit_l
+        +get_parameters()
+        +set_paraeters()
     }
 
-    class PowderModel{
-        <>
-    }
+Default Values
+----------------
+
+The parameters' default values for each Sample object are stored in a file, e.g sample_default.py, next to the model file. They are imported
+in the HyspecPPT Model file and used during the Sample objects' initialization and data calculations.
+More specifically the parameters with their values are:
+
+    * sample_type = "Powder"
+    * incident_energy_e = 20
+    * detector_tank_angle_s = 30
+    * polarization_direction_angle_p = 0
+    * delta_e = 0
+    * mod_q = 0
+    * lattice_a = 1
+    * lattice_b = 1
+    * lattice_c = 1
+    * lattice_alpha = 90
+    * lattice_beta = 90
+    * lattice_gamma = 90
+    * lattice unit_h = 0
+    * lattice unit_k = 0
+    * lattice unit_l = 0
+    * number_of_pixels = 200
+
+Functions
+-------------
+
+The function signatures and description are included below.
+
+-- Sample
+
+* def calculate_graph_data(Dict data) --> Dict : The function receives data parameters, updates the sample object's field values and calculates and returns the plot data. The incoming data have the following format: e.g.
+     .. code-block:: bash
+
+        {
+            "current_sample_type": "SingleCrystal",
+            "incident_energy_e": <e>,
+            "detector_tank_angle_s" : <s2>,
+            "polarization_direction_angle_p" :<ao>,
+            "delta_e": <d_e>,
+            "mod_q" : <m_q>,
+            "graph_type" : <g_a>,
+            "sc_parametes" :
+            {
+                "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>
+            }
+        }
+
+    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.:
+     .. code-block:: bash
+
+        {
+            "current_sample_type": "Powder",
+            "incident_energy_e": <e>,
+            "detector_tank_angle_s" : <s2>,
+            "polarization_direction_angle_p" :<ao>,
+            "delta_e": <d_e>,
+            "mod_q" : <m_q>,
+            "graph_type" : <g_a>,
+            "sc_parametes" : {}
+        }
+
+    The data structure is similar to the ones used in get_data() and set_data() for consistency.
+    Internally store_data() is called to store the parameters, and for the Single Crystal case calculate_qmod() and calculate_crosshair are called to find qmod and crosshair values respectively.
+    The data dictionary created for the plot have the  following format:
+
+     .. code-block:: bash
+
+        {
+            "q_min": [], //1-d array
+            "q_max": [], //1-d array
+            "energy_transfer" : [], //1-d array
+            "q2d" :[[],], //2-d array
+            "e2d" :[[],], //2-d array
+            "scharf_angle" :[[],], //2-d array
+            "crosshair": { "x": <>, "y":<>}
+        }
+
+* def get_data() --> Dict : The function returns all the sample's parameters in a dictionary format regardless the of the sample type e.g:
 
+    .. code-block:: bash
 
+        {
+            "current_sample_type": <sample_type>,
+            "incident_energy_e": <e>,
+            "detector_tank_angle_s" : <s2>,
+            "polarization_direction_angle_p" :<ao>,
+            "delta_e": <d_e>,
+            "mod_q" : <m_q>,
+            "graph_type" : <g_a>,
+            "sc_parametes" :
+            {
+                "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>
+            }
+        }
+
+    The function can be called by the Presenter, in order to update the View with the memory-stored values.
+
+* def store_data(Dict data) --> None : The function receives data parameters and updates the sample object's field values. The dictionary format is similar to get_data return value e.g.:
+
+    .. code-block:: bash
+
+        {
+            "current_sample_type": "SingleCrystal",
+            "incident_energy_e": <e>,
+            "detector_tank_angle_s" : <s2>,
+            "polarization_direction_angle_p" :<ao>,
+            "delta_e": <d_e>,
+            "mod_q" : <m_q>,
+            "graph_type" : <g_a>,
+            "sc_parametes" :
+            {
+                "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>
+            }
+        }
+
+    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.:
+
+     .. code-block:: bash
+
+        {
+            "current_sample_type": "Powder",
+            "incident_energy_e": <e>,
+            "detector_tank_angle_s" : <s2>,
+            "polarization_direction_angle_p" :<ao>,
+            "delta_e": <d_e>,
+            "mod_q" : <m_q>,
+            "graph_type" : <g_a>,
+            "sc_parametes" : {}
+        }
+
+
+* 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:
+
+     .. code-block:: bash
+
+        {
+            "x": <x>,
+            "y": <y>
+        }
+
+
+The get_emin and calculate_qmod functions are only used internally in the Sample Model.
+
+-- SingleCrystalParameters
+
+* def get_parameters(dict sc_data) --> None : The function updates the SingleCrystalParameters with the sc_data, provided in the following format e.g:
+
+     .. code-block:: bash
+
+        {
+            "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>
+        }
+
+* def set_parameters() --> Dict : The function returns a dictionary with the SingleCrystalParameters field values.
+
+     .. code-block:: bash
+
+        {
+            "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>
+        }
+
+The data structure is the same in set_parameters() and get_parameters() for consistency.
 
 HyspecPPT View
----------------
++++++++++++++++
+
 
 .. mermaid::
 
@@ -114,7 +326,7 @@ HyspecPPT View
 
 
 HyspecPPT Presenter
---------------------
+++++++++++++++++++++++
 
 .. mermaid::
 

docs/source/design/hyspecpptfields.rst

@@ -53,13 +53,13 @@ Below are the fields of SingleCrystal and Powder sample Models
   * - Delta E
     - Double
     -
-    - 0 (for Power mode)
+    - 0
     -
     - no
   * - mod Q (\|Q\|)
     - Double
     -
-    - 0 (for Power mode)
+    - 0
     - 0 <= \|Q\| <=10
     - no
   * - Plot Type
@@ -154,5 +154,4 @@ Front end side validation can include:
 
 
 Backend side validation can include:
-  * qmod calculation
-  * graph data calculations
+  * matplotlib save figure?

environment.yml

@@ -6,8 +6,7 @@ dependencies:
   - pyqt == 5.*
   - qtpy
   - numpy
-  - scipy
-  - matplotlib <3.9 #resolves pyside 6 error
+  - matplotlib #resolves pyside 6 error * !! 0we want the latest version
   - pre-commit
   # package building:
   - versioningit

src/hyspecppt/home/home_model.py → src/hyspecppt/hppt/hppt_model.py

@@ -5,7 +5,7 @@
 logger = logging.getLogger("hyspecppt")
 
 
-class HomeModel:
+class HyspecPPTModel:
     """Main model"""
 
     def __init__(self):

src/hyspecppt/home/home_presenter.py → src/hyspecppt/hppt/hppt_presenter.py

@@ -1,7 +1,7 @@
 """Presenter for the Main tab"""
 
 
-class HomePresenter:
+class HyspecPPTPresenter:
     """Main presenter"""
 
     def __init__(self, view, model):

src/hyspecppt/home/home_view.py → src/hyspecppt/hppt/hppt_view.py

@@ -3,7 +3,7 @@
 from qtpy.QtWidgets import QHBoxLayout, QWidget
 
 
-class Home(QWidget):
+class HyspecPPTView(QWidget):
     """Main widget"""
 
     def __init__(self, parent=None):