1.0

.github/workflows/windows-app.yml

@@ -21,7 +21,7 @@ jobs:
       run: |
         pip install -r requirements.txt
         pip install pyinstaller
-    - name: Build application and ru Inno Setup
+    - name: Build application and run Inno Setup
       run: |
         python -m PyInstaller --onefile --noconsole --icon="icon\app_icon.tiff" --name="ThermLUM" --uac-admin start_app.py
         iscc ".\ThermLUM.iss"
@@ -31,8 +31,8 @@ jobs:
       env:
         GITHUB_TOKEN: ${{ secrets.GITHUB_TOKEN }}
       with:
-        tag_name: 1.0.0 #VERSION
-        release_name: Release 1.0.0  #VERSION
+        tag_name: 1.1.0 #VERSION
+        release_name: Release 1.1.0  #VERSION
         draft: false
         prerelease: false
     - name: Upload Release Asset
@@ -46,7 +46,7 @@ jobs:
         asset_name: ThermLUMsetup.exe
         asset_content_type: application/x-msdownload
 
-    - uses: actions/upload-artifact@v2
+    - uses: actions/upload-artifact@v4
       with:
         name: ThermLUMsetup.exe
         path: ./dist/ThermLUMsetup.exe

.gitignore

@@ -0,0 +1,45 @@
+# Byte-compiled / optimized / DLL files
+*.py[cod]
+*$py.class
+# Default ignored files
+/shelf/
+/workspace.xml
+# Editor-based HTTP Client requests
+/httpRequests/
+# Datasource local storage ignored files
+/dataSources/
+/dataSources.local.xml
+# PyInstaller
+#  Usually these files are written by a python script from a template
+#  before PyInstaller builds the exe, so as to inject date/other infos into it.
+*.manifest
+*.spec
+# Installer logs
+pip-log.txt
+pip-delete-this-directory.txt
+# Translations
+*.mo
+*.pot
+# Distribution / packaging
+.Python
+/build/
+develop-eggs/
+dist/
+downloads/
+eggs/
+.eggs/
+lib/
+lib64/
+parts/
+sdist/
+var/
+wheels/
+pip-wheel-metadata/
+share/python-wheels/
+*.egg-info/
+.installed.cfg
+*.egg
+MANIFEST
+# VS
+.idea
+*.xml

ThermLUM.iss

@@ -2,7 +2,7 @@
 ; SEE THE DOCUMENTATION FOR DETAILS ON CREATING INNO SETUP SCRIPT FILES!
 
 #define MyAppName "ThermLUM"
-#define MyAppVersion "1.0.0"
+#define MyAppVersion "1.1.0"
 #define MyAppPublisher "Multifunctional Luminescent Materials Group"
 #define MyAppExeName "ThermLUM.exe"
 #define MyAppAssocName MyAppName + " File"

creation.py

@@ -12,7 +12,7 @@
 # GNU General Public License for more details.
 import pandas as pd
 import h5py
-from os import path
+from os import path, remove
 def new(file_path, hdf_name):
     file_directory, file_name = path.split(file_path)
     with open(file_path, "r") as file:
@@ -49,5 +49,10 @@ def new(file_path, hdf_name):
     group.create_dataset(f'temperatures_{hdf_name}', data=temps)
     hdf_file.close()
 
+    if path.exists(path.join(file_directory, f'description_{file_name.split('.')[0]}')): 
+        remove(path.join(file_directory, f'description_{file_name.split('.')[0]}'))
+    if path.exists(path.join(file_directory, f'_temp_data)_{file_name.split('.')[0]}.csv')): 
+        remove(path.join(file_directory, f'_temp_data)_{file_name.split('.')[0]}.csv'))
+
     from thermmap_object import ThermMap
     return ThermMap(hdf_file_path)

fitting_functions.py

@@ -85,4 +85,4 @@ def coth_vibration_error(x, delta0, ev, b, delta0_error, ev_error, b_error):
     'Exponential decay': exponential_decay_error,
     'coth': coth_vibration_error
 }
-
+#NEWLINE

gui.py

@@ -21,8 +21,10 @@
 
 from PyQt6.QtWidgets import QDialog, QSpinBox, QDialogButtonBox, QLabel, QWidget, QVBoxLayout, \
     QApplication, QMainWindow, QFileDialog, QHBoxLayout, QGridLayout, QAbstractSpinBox, QComboBox, \
-    QFormLayout, QDoubleSpinBox, QPushButton, QStackedLayout, QSizePolicy
+    QFormLayout, QDoubleSpinBox, QPushButton, QStackedLayout, QSizePolicy, QCheckBox, QButtonGroup, QGroupBox
 from PyQt6.QtGui import QIcon
+from PyQt6.QtCore import Qt
+
 
 import matplotlib as mpl  # import matplotlib after PyQt6
 from matplotlib.backends.backend_qtagg import FigureCanvasQTAgg
@@ -152,7 +154,7 @@ def __init__(self, thermmap, parent=None):
         self.button_box.accepted.connect(self.accept)
         self.button_box.rejected.connect(self.reject)
 
-        layout_ribbon.addWidget(QLabel("To correctly determine error smooth data in a way that removes noise but do not obscure any peaks.\n Smoothing options of Savitzky-Goloy filter"), 0, 0)
+        layout_ribbon.addWidget(QLabel("To correctly determine error smooth data in a way that removes noise but do not obscure any peaks.\nSmoothing options of Savitzky-Goloy filter"), 0, 0)
         layout_ribbon.addWidget(QLabel("Window length"), 1, 0)
         layout_ribbon.addWidget(self.window_length_widget, 1, 1)
         layout_ribbon.addWidget(QLabel("Polynomial order"), 2, 0)
@@ -162,7 +164,38 @@ def __init__(self, thermmap, parent=None):
         layout_ribbon.addWidget(QLabel("Sum of all residuals should be as close to 0 as posible for correct error determination"), 4, 0)
         layout_ribbon.addWidget(QLabel("Sum of all residuals:"), 5, 0)
         layout_ribbon.addWidget(self.residula_widget, 5, 1)
-        layout_ribbon.addWidget(self.button_box, 6, 0, 6, 1)
+
+
+        layout_ribbon.addWidget(QLabel("Detector error's setettings:"), 6, 0)
+        # Constant error option 
+        self.constant_detector_error_checkbox = QCheckBox('Constant error')
+        layout_ribbon.addWidget(self.constant_detector_error_checkbox, 7, 0)
+        self.constant_detector_error_spinbox = QSpinBox(
+            minimum=1,
+            maximum=1000000,
+        )
+        self.constant_detector_error_spinbox.setValue(250)
+        self.constant_detector_error_spinbox.setKeyboardTracking(False)
+        self.constant_detector_error_spinbox.setMinimumWidth(150)
+        self.constant_detector_error_spinbox.setButtonSymbols(QAbstractSpinBox.ButtonSymbols.NoButtons)
+        layout_ribbon.addWidget(self.constant_detector_error_spinbox, 7, 1)
+        self.constant_detector_error_checkbox.stateChanged.connect(lambda: self.handle_detector_checkbox(self.constant_detector_error_checkbox))
+
+        # Smooth error option
+        self.smoothed_detector_error_checkbox = QCheckBox('Determined from smoothing')
+        layout_ribbon.addWidget(self.smoothed_detector_error_checkbox, 8, 0)
+        self.smoothed_detector_error_checkbox.stateChanged.connect(lambda: self.handle_detector_checkbox(self.smoothed_detector_error_checkbox))
+
+
+        layout_ribbon.addWidget(QLabel("Function error's setettings:"), 9, 0)
+        function_error_group = QButtonGroup()
+        self.easy_function_error_checkbox = QCheckBox('Fit - exp diffrence error')
+        layout_ribbon.addWidget(self.easy_function_error_checkbox, 10, 0)
+
+        function_error_group.addButton(self.easy_function_error_checkbox)
+
+
+        layout_ribbon.addWidget(self.button_box, 11, 0, 11, 1)
 
 
         layout_outer.addLayout(layout_plot, 0, 0)
@@ -172,6 +205,18 @@ def __init__(self, thermmap, parent=None):
         self.update()
         self.setLayout(layout_outer)
 
+    def handle_detector_checkbox(self, selected_checkbox):
+        # Uncheck other checkboxes
+        for checkbox in [self.constant_detector_error_checkbox, self.smoothed_detector_error_checkbox]:
+            if checkbox != selected_checkbox:
+                checkbox.blockSignals(True)  # Temporarily block signals to prevent recursion
+                checkbox.setChecked(False)
+                checkbox.blockSignals(False)  # Re-enable signals
+        if self.constant_detector_error_checkbox.isChecked():
+            self.constant_detector_error_spinbox.setEnabled(True)
+        else:
+            self.constant_detector_error_spinbox.setEnabled(False)
+
     def update(self, _=None):
         window_length = self.window_length_widget.value()
         polyorder = self.polyorder_widget.value()
@@ -237,8 +282,6 @@ def __init__(self, *args, **kwargs):
             filters, selectedFilter)
 
         settings['recently_opened_folder'] = path.split(file_path)[0]
-        with open('./settings.json', 'r+') as settings_json:
-            settings_json.write(json.dumps(settings, indent=0))
 
         self.thermmap = new(file_path, path.split(file_path)[1][:-4])
         self.thermmap.get_data()
@@ -277,8 +320,10 @@ def __init__(self, *args, **kwargs):
         self.normalization_line = None
         self.fitting_plot = None
         self.sensitivity_plot = None
-        self.error_bar_plot = None
-        self.temperature_err = None
+        self.error_bar_plot_detector = None
+        self.error_bar_plot_function = None
+        self.temperature_err_detector = None
+        self.temperature_err_function = None
 
         self.cid1 = self.canvas.mpl_connect('button_press_event', self.on_click)
         self.cid2 = self.canvas.mpl_connect('pick_event', self.on_pick)
@@ -319,6 +364,9 @@ def __init__(self, *args, **kwargs):
             maximum=self.thermmap.data[-1, 0],
             singleStep=self.thermmap.resolution
         )
+        self.swap_widget = QPushButton('Swap')
+        self.swap_widget.clicked.connect(self.on_wavelength_switch)
+        layout_wavelengths_chooser.addRow(QLabel(''), self.swap_widget)
         self.second_value_widget.setKeyboardTracking(False)
         self.second_value_widget.setMinimumWidth(150)
         self.second_value_widget.valueChanged.connect(self.on_second_value_changed)
@@ -534,6 +582,12 @@ def on_second_value_changed(self, value):
         self.second_click = False
         self.canvas.draw()
         self.normalized_canvas.draw()
+
+    def on_wavelength_switch(self):
+        if (self.second_line_position is not None) and (self.first_line_position is not None):
+            _temp_value = self.first_value_widget.value()
+            self.first_value_widget.setValue(self.second_line_position)
+            self.second_value_widget.setValue(_temp_value)
 
     def on_normalization_value_changed(self, value):
         new_value = quantization_to_resolution(value, self.thermmap.resolution)
@@ -733,26 +787,43 @@ def start_fitting(self):
     def determine_error(self):
         dialog = ErrorDeterminingDialog(self.thermmap, self)
         if dialog.exec() == QDialog.DialogCode.Accepted:
-            self.smoothed_data, self.smoothed_residual = dialog.smoothed_data, dialog.smoothed_residual
+            if dialog.smoothed_detector_error_checkbox.isChecked():
+                self.smoothed_data, self.smoothed_residual = dialog.smoothed_data, dialog.smoothed_residual
 
-            detector_err = self.thermometric_parameter * sqrt((self.thermmap.general_get_row_of_ydata(self.smoothed_residual, self.first_line_position) / self.thermmap.get_row_of_ydata(self.first_line_position))**2 + 
+                detector_err = sqrt((self.thermmap.general_get_row_of_ydata(self.smoothed_residual, self.first_line_position) / self.thermmap.get_row_of_ydata(self.first_line_position))**2 + 
                                                               (self.thermmap.general_get_row_of_ydata(self.smoothed_residual, self.second_line_position) / self.thermmap.get_row_of_ydata(self.second_line_position))**2)
-
-            # function_err = list(dict_of_fitting_errors_functions.values())[self.fitting_functions_layout.currentIndex()](self.thermometric_parameter, *self.fitted_output_parameters, *self.parameter_errors)
-            function_err = abs(self.thermometric_parameter - list(dict_of_fitting_functions.values())[self.fitting_functions_layout.currentIndex()](self.thermometric_parameter, *self.fitted_output_parameters))
+            elif dialog.constant_detector_error_checkbox.isChecked():
+                constant_err = dialog.constant_detector_error_spinbox.value()
+                detector_err =  sqrt((constant_err / self.thermmap.get_row_of_ydata(self.first_line_position))**2 + (constant_err / self.thermmap.get_row_of_ydata(self.second_line_position))**2)
+            if dialog.easy_function_error_checkbox.isChecked():
+                # function_err = list(dict_of_fitting_errors_functions.values())[self.fitting_functions_layout.currentIndex()](self.thermometric_parameter, *self.fitted_output_parameters, *self.parameter_errors)
+                function_err = abs(self.thermometric_parameter - list(dict_of_fitting_functions.values())[self.fitting_functions_layout.currentIndex()](self.thermometric_parameter, *self.fitted_output_parameters)) / list(dict_of_fitting_functions.values())[self.fitting_functions_layout.currentIndex()](self.thermometric_parameter, *self.fitted_output_parameters)
+            else:
+                function_err = 0
 
             total_err = sqrt(detector_err**2 + function_err**2)
 
-            self.temperature_err = (total_err / self.thermometric_parameter) * (1 / self.discontinuous_sensitivity)
+            percent_detector = detector_err / (detector_err + function_err)
+
+            self.temperature_err_detector = (total_err * percent_detector) * (1 / self.discontinuous_sensitivity)
+            self.temperature_err_function = (total_err * (1 - percent_detector)) * (1 / self.discontinuous_sensitivity)
 
-            if self.error_bar_plot is not None:
-                self.error_bar_plot[0].remove()
-            self.error_bar_plot = self.fitting_canvas.error_axes.bar(
+            if self.error_bar_plot_detector is not None:
+                self.error_bar_plot_detector[0].remove()
+                self.error_bar_plot_function[0].remove()
+            self.error_bar_plot_detector = self.fitting_canvas.error_axes.bar(
                 self.thermmap.temperatures,
-                self.temperature_err,
+                self.temperature_err_detector,
                 color='#E56B6F',
                 width=8
             )
+            self.error_bar_plot_function = self.fitting_canvas.error_axes.bar(
+                self.thermmap.temperatures,
+                self.temperature_err_function,
+                color='#6D597A',
+                width=8,
+                bottom=self.temperature_err_detector
+            )
             self.fitting_canvas.error_axes.set_ylim(0, 2)
             self.fitting_canvas.error_axes.set_ylabel(r'Error / $\mathrm{K}$')
             self.fitting_canvas.draw()
@@ -770,9 +841,10 @@ def export_data(self):
         result_dict['Fit temperature / K'] = self.fit_x
         result_dict['Fitted parameter'] = self.fitted_output_data
         result_dict['Relative sensitivity / %K^(-1)'] = self.sensitivity
-        if self.temperature_err is not None:
+        if self.temperature_err_detector is not None:
             result_dict['Error temperature / K'] = self.thermmap.temperatures
-            result_dict['Temperature error / K'] = self.temperature_err
+            result_dict['Temperature error (detector) / K'] = self.temperature_err_detector
+            result_dict['Temperature error (function) / K'] = self.temperature_err_function
         for index, fitted_parameter in enumerate(signature(list(dict_of_fitting_functions.values())[self.fitting_functions_layout.currentIndex()]).parameters):
             if index == 0:
                 continue
@@ -787,6 +859,11 @@ def export_data(self):
             self.result.to_csv(filename)
 
 
+    def closeEvent(self, event):
+        with open('./settings.json', 'w') as settings_json:
+            settings_json.write(json.dumps(settings, indent=0))
+
+
 
 
 def run_gui():

package.json

@@ -1,6 +1,6 @@
 {
   "name": "ThermLUM",
-  "version": "1.0.0",
+  "version": "1.1.0",
   "dependencies": {
   }
 }

plotting.py

@@ -12,7 +12,7 @@
 # GNU General Public License for more details.
 import matplotlib.pyplot as plt
 import numpy as np
-
+#EGG
 
 def luminescence_dt(data, temperatures, axes: plt.Axes, colormap):
     counter = 0

requirements.txt

@@ -1,7 +1,8 @@
-h5py==3.11.0
+h5py
 matplotlib==3.8.0
-numpy==2.1.2
-pandas==2.2.3
-PyQt6==6.7.1
-PyQt6_sip==13.8.0
-scipy==1.14.1
+numpy
+pandas
+PyQt6
+PyQt6_sip
+scipy
+requests