Single spectrum save feature added

Spectra recorded in Single Mode can be saved individually.
Auto-Save is turned off by default for Single Mode.

Author: JornSteen

GUI.pyw

@@ -925,6 +925,40 @@ class MainWindow(QMainWindow, MainWindow.Ui_MainWindow):
         self.update_label_AutoSaveFolder()
         return
 
+    @pyqtSlot()
+    def on_SaveSpectrumBtn_clicked(self):
+        ''' Save most recent spectrum (used for Single Mode) '''
+        if self.check_Scope():
+            QMessageBox.critical(self, "Single Int", "First record a Single Scope spectrum")
+            return
+    
+        if (self.AbsorbanceModeBtn.isChecked()):
+            if self.check_Abs():
+                QMessageBox.critical(self, "Single Abs", "First record a Single Abs spectrum")
+                return
+        
+        filepath, _ = QFileDialog.getSaveFileName(self, "Save Single Spectrum", "", "CSV Files (*.csv)")
+        if filepath:
+            
+            self.single_save(filepath, "Int", globals.ScopeSpectrum, "Intensity")
+            self.single_save(filepath, "Int_DarkCorr", globals.ScopeSpectrum_DarkCorr, "Intensity (Dark-Corrected)")
+            self.single_save(filepath, "Int_DarkSLSCorr", globals.ScopeSpectrum_DarkSLSCorr, "Intensity (Dark- and SLS-Corrected)")
+            
+            if (self.AbsorbanceModeBtn.isChecked()): ## Absorbance mode
+                if globals.Corrections_to_Apply == "DarkSLS":
+                    self.single_save(filepath, "Abs", globals.AbsSpectrum, "Absorbance")
+                elif globals.Corrections_to_Apply == "Dark":
+                    self.single_save(filepath, "Abs_noSLS", globals.AbsSpectrum, "Absorbance (No SLS Correction)")
+                elif globals.Corrections_to_Apply == "None": ## no corrections
+                    self.single_save(filepath, "Abs_noDarkSLScorr", globals.AbsSpectrum, "Absorbance (No Dark and SLS Corrections)")
+                            #####################################
+
+    def single_save(self, filepath, mode, spectrum, data_header):
+        filepath_full = DataHandling.append_filepath(filepath, mode)
+        file = DataHandling.Logger(filepath_full, "spectra") ## initialise logger for spectrum savefile
+        file.save_spectrum(globals.wavelength, spectrum, data_header)
+        self.statusBar.showMessage(f"Single spectrum saved as {file.filename}")
+
     @pyqtSlot()
     def auto_save(self, foldername, mode, spectrum, data_header):
         '''
@@ -1409,21 +1443,25 @@ class MainWindow(QMainWindow, MainWindow.Ui_MainWindow):
             self.label_NrCyclesEdt.setEnabled(False)
             self.IntervalEdt.setEnabled(False)
             self.label_IntervalEdt.setEnabled(False)
+            self.ChkAutoSaveFolder.setChecked(False) ## auto-save off for Single Mode
         if self.ContinuousRBtn.isChecked():
             self.NrCyclesEdt.setEnabled(True)
             self.label_NrCyclesEdt.setEnabled(True)
             self.IntervalEdt.setEnabled(False)
             self.label_IntervalEdt.setEnabled(False)
+            self.ChkAutoSaveFolder.setChecked(True) ## auto-save on
         if self.KineticsRBtn.isChecked():
             self.NrCyclesEdt.setEnabled(True)
             self.label_NrCyclesEdt.setEnabled(True)
             self.IntervalEdt.setEnabled(True)
             self.label_IntervalEdt.setEnabled(True)
+            self.ChkAutoSaveFolder.setChecked(True) ## auto-save on
         if self.IrrKinRBtn.isChecked():
             self.NrCyclesEdt.setEnabled(True)
             self.label_NrCyclesEdt.setEnabled(True)
             self.IntervalEdt.setEnabled(True)
             self.label_IntervalEdt.setEnabled(True)
+            self.ChkAutoSaveFolder.setChecked(True) ## auto-save on
 
         if self.ScopeModeBtn.isChecked():
             globals.MeasurementMode = "Int"
@@ -1500,13 +1538,21 @@ class MainWindow(QMainWindow, MainWindow.Ui_MainWindow):
         self.reset_Data_Ref()
 
     def check_Dark(self):
-        """ Check if true """
+        """ Returns true if Dark is zero """
         return (globals.DarkSpectrum_doublearray == [0.0] * 4096 or globals.DarkSpectrum == [0.0])
 
     def check_Ref(self):
-        """ check if true """
+        """ Returns true if Reference is zero """
         return (globals.RefSpectrum_doublearray == [0.0] * 4096 or globals.RefSpectrum == [0.0])
 
+    def check_Scope(self):
+        """ Returns true if Scope is zero """
+        return (globals.ScopeSpectrum_doublearray == [0.0] * 4096 or globals.ScopeSpectrum == [0.0])
+
+    def check_Abs(self):
+        """ Returns true if Abs is zero """
+        return (globals.AbsSpectrum_doublearray == [0.0] * 4096 or globals.AbsSpectrum == [0.0])
+    
     def check_SLSCorr(self):
         """ check if true """
         return (self.SLSCorr == "ON")

UIs/MainWindow.py

@@ -141,10 +141,10 @@ def setupUi(self, MainWindow):
         self.groupBox.setGeometry(QtCore.QRect(550, 10, 821, 361))
         self.groupBox.setObjectName("groupBox")
         self.StartMeasBtn = QtWidgets.QPushButton(self.groupBox)
-        self.StartMeasBtn.setGeometry(QtCore.QRect(330, 290, 131, 24))
+        self.StartMeasBtn.setGeometry(QtCore.QRect(320, 290, 131, 24))
         self.StartMeasBtn.setObjectName("StartMeasBtn")
         self.StopMeasBtn = QtWidgets.QPushButton(self.groupBox)
-        self.StopMeasBtn.setGeometry(QtCore.QRect(330, 320, 131, 24))
+        self.StopMeasBtn.setGeometry(QtCore.QRect(320, 320, 131, 24))
         self.StopMeasBtn.setObjectName("StopMeasBtn")
         self.groupBox_13 = QtWidgets.QGroupBox(self.groupBox)
         self.groupBox_13.setGeometry(QtCore.QRect(270, 100, 241, 161))
@@ -173,6 +173,9 @@ def setupUi(self, MainWindow):
         self.label_IntervalEdt = QtWidgets.QLabel(self.groupBox_13)
         self.label_IntervalEdt.setGeometry(QtCore.QRect(90, 130, 81, 16))
         self.label_IntervalEdt.setObjectName("label_IntervalEdt")
+        self.SaveSpectrumBtn = QtWidgets.QPushButton(self.groupBox_13)
+        self.SaveSpectrumBtn.setGeometry(QtCore.QRect(130, 20, 91, 24))
+        self.SaveSpectrumBtn.setObjectName("SaveSpectrumBtn")
         self.groupBox_5 = QtWidgets.QGroupBox(self.groupBox)
         self.groupBox_5.setGeometry(QtCore.QRect(10, 20, 241, 201))
         self.groupBox_5.setObjectName("groupBox_5")
@@ -687,6 +690,7 @@ def retranslateUi(self, MainWindow):
         self.SingleRBtn.setText(_translate("MainWindow", "Single"))
         self.label_NrCyclesEdt.setText(_translate("MainWindow", "Nr of Cycles"))
         self.label_IntervalEdt.setText(_translate("MainWindow", "Interval (s)"))
+        self.SaveSpectrumBtn.setText(_translate("MainWindow", "Save Spectrum"))
         self.groupBox_5.setTitle(_translate("MainWindow", "Dark and Reference"))
         self.DarkMeasBtn.setText(_translate("MainWindow", "Record Dark Spectrum"))
         self.RefMeasBtn.setText(_translate("MainWindow", "Record Reference Spectrum"))
@@ -712,7 +716,7 @@ def retranslateUi(self, MainWindow):
         self.label_11.setText(_translate("MainWindow", "Current LED:"))
         self.SetLEDsettings.setText(_translate("MainWindow", "Set LED Settings"))
         self.groupBox_16.setTitle(_translate("MainWindow", "Auto-Save"))
-        self.AutoSaveFolderBtn.setText(_translate("MainWindow", "Auto-Save Folder"))
+        self.AutoSaveFolderBtn.setText(_translate("MainWindow", "Select Folder"))
         self.label_MeasurementRunning.setText(_translate("MainWindow", "<html><head/><body><p><span style=\" color:#aa55ff;\">MEASUREMENT RUNNING!!!</span></p></body></html>"))
         self.groupBox_8.setTitle(_translate("MainWindow", "Measurement Statistics"))
         self.label_15.setText(_translate("MainWindow", "Time Since Start (s)"))

UIs/MainWindow.ui

@@ -460,7 +460,7 @@
       <widget class="QPushButton" name="StartMeasBtn">
        <property name="geometry">
         <rect>
-         <x>330</x>
+         <x>270</x>
          <y>290</y>
          <width>131</width>
          <height>24</height>
@@ -473,7 +473,7 @@
       <widget class="QPushButton" name="StopMeasBtn">
        <property name="geometry">
         <rect>
-         <x>330</x>
+         <x>270</x>
          <y>320</y>
          <width>131</width>
          <height>24</height>
@@ -1231,7 +1231,7 @@
          </rect>
         </property>
         <property name="text">
-         <string>Auto-Save Folder</string>
+         <string>Select Folder</string>
         </property>
        </widget>
        <widget class="QCheckBox" name="ChkAutoSaveFolder">
@@ -1267,7 +1267,7 @@
       <widget class="QLabel" name="label_MeasurementRunning">
        <property name="geometry">
         <rect>
-         <x>490</x>
+         <x>530</x>
          <y>300</y>
          <width>281</width>
          <height>31</height>
@@ -1288,6 +1288,19 @@
         <string>&lt;html&gt;&lt;head/&gt;&lt;body&gt;&lt;p&gt;&lt;span style=&quot; color:#aa55ff;&quot;&gt;MEASUREMENT RUNNING!!!&lt;/span&gt;&lt;/p&gt;&lt;/body&gt;&lt;/html&gt;</string>
        </property>
       </widget>
+      <widget class="QPushButton" name="SaveSpectrumBtn">
+       <property name="geometry">
+        <rect>
+         <x>420</x>
+         <y>305</y>
+         <width>91</width>
+         <height>24</height>
+        </rect>
+       </property>
+       <property name="text">
+        <string>Save Spectrum</string>
+       </property>
+      </widget>
      </widget>
      <widget class="QGroupBox" name="groupBox_8">
       <property name="geometry">

tools/data_handling.py

@@ -84,6 +84,11 @@ def trace_wavelength(self, wavelength_of_interest):
         closest_index = (df[df.columns[0]] - wavelength_of_interest).abs().idxmin()
         closest_wavelength = df.loc[closest_index, df.columns[0]]
         return closest_index, closest_wavelength
+
+def append_filepath(filepath, appendage):
+    name, ext = os.path.splitext(filepath)
+    new_filepath = f"{name}_{appendage}{ext}"
+    return new_filepath
 
 def ConvertTimestamps(filename_log, filename_log_autoQY):
     '''