added lorentzian model and fixed kilo nm unit situation

Author: SarthakJariwala

PythonGUI_apps/Spectrum_analysis/Spectra_fit_funcs.py

@@ -12,7 +12,7 @@
 @author: Sarthak
 """
 import numpy as np
-from lmfit.models import GaussianModel
+from lmfit.models import GaussianModel, LorentzianModel
 
 class Spectra_Fit(object):
     """
@@ -37,7 +37,7 @@ def background_correction(self):
         return [x,y]
 
 class Single_Gaussian(Spectra_Fit):
-    """Fit a single gaussian to the spectrum, plot it and save it
+    """Fit a single gaussian to the spectrum
     
     Attributes:
         data: spectrum data (x-axis and y-axis)
@@ -51,6 +51,21 @@ def gaussian_model(self):
         result = gmodel.fit(y, pars, x=x, nan_policy='propagate')
         return result
 
+class Single_Lorentzian(Spectra_Fit):
+    """Fit a single Lorentzian to the spectrum
+    
+    Attributes:
+        data: spectrum data (x-axis and y-axis)
+        ref: reference spectrum (both x and y-axis) for background correction
+    """
+    
+    def lorentzian_model(self):
+        x,y = self.background_correction()
+        lmodel = LorentzianModel(prefix = 'l1_') # calling lorentzian model
+        pars = lmodel.guess(y, x=x) # parameters - center, width, height
+        result = lmodel.fit(y, pars, x=x, nan_policy='propagate')
+        return result
+
 class Double_Gaussian(Spectra_Fit):
     """Fit two gaussians to the spectrum
     

PythonGUI_apps/Spectrum_analysis/Spectra_plot_fit.py

@@ -16,9 +16,9 @@
 
 # local modules
 try:
-    from Spectra_fit_funcs import Spectra_Fit, Single_Gaussian
+    from Spectra_fit_funcs import Spectra_Fit, Single_Gaussian, Single_Lorentzian
 except:
-    from Spectrum_analysis.Spectra_fit_funcs import Spectra_Fit, Single_Gaussian    
+    from Spectrum_analysis.Spectra_fit_funcs import Spectra_Fit, Single_Gaussian, Single_Lorentzian    
 
 
 """Recylce params for plotting"""
@@ -48,7 +48,7 @@ def __init__(self):
         self.ui = WindowTemplate()
         self.ui.setupUi(self)
 
-        self.ui.fitFunc_comboBox.addItems(["Single Gaussian","Double Gaussian", "Multiple Gaussians"])
+        self.ui.fitFunc_comboBox.addItems(["Single Gaussian","Single Lorentzian", "Double Gaussian", "Multiple Gaussians"])
 
 #        self.ui.actionSave.triggered.connect(self.save_file)
 #        self.ui.actionExit.triggered.connect(self.close_application)
@@ -119,7 +119,7 @@ def plot(self):
 
         self.ui.plot.plot(self.x, self.y, clear=False, pen='r')
         self.ui.plot.setLabel('left', 'Intensity', units='a.u.')
-        self.ui.plot.setLabel('bottom', 'Wavelength', units='nm')
+        self.ui.plot.setLabel('bottom', 'Wavelength (nm)')
 
 
     def normalize(self):
@@ -144,6 +144,14 @@ def fit_and_plot(self):
                 self.ui.plot.plot(self.x, self.result.best_fit, clear=False, pen='k')
                 self.ui.result_textBrowser.setText(self.result.fit_report())
 
+            elif fit_func == "Single Lorentzian" and self.ui.subtract_bck_checkBox.isChecked() == True:
+                
+                single_lorentzian = Single_Lorentzian(self.file, self.bck_file)
+                self.result = single_lorentzian.lorentzian_model()
+                self.ui.plot.plot(self.x, self.y, clear=True, pen='r')
+                self.ui.plot.plot(self.x, self.result.best_fit, clear=False, pen='k')
+                self.ui.result_textBrowser.setText(self.result.fit_report())
+            
             elif fit_func == "Double Gaussian" and self.ui.subtract_bck_checkBox.isChecked() == True:
                 self.ui.result_textBrowser.setText("Not Implemented Yet!")