good

Cleopatra/ExWindow.py

@@ -19,7 +19,8 @@ class ExWindow(QWidget):
     super().__init__()
 
     self.setWindowTitle("Ex Plot")
-    self.setGeometry(100, 100, 400, 800)
+    # self.setGeometry(100, 100, 400, 800)
+    self.resize(400, 800)
 
     self.ASym = ""
     self.maxEx = 0

Cleopatra/FitExData.py

@@ -2,11 +2,35 @@
 
 import numpy as np
 from scipy.optimize import curve_fit
+
+from PyQt6.QtWidgets import (
+  QVBoxLayout, QWidget
+)
+
 import matplotlib.pyplot as plt
+from matplotlib.backends.backend_qtagg import NavigationToolbar2QT as NavigationToolbar
+from matplotlib.backends.backend_qt5agg import FigureCanvasQTAgg as FigureCanvas
 
 from ExtractXsecPy import read_DWBA
 
-class Fitting:
+class FitPlotWidget(QWidget):
+  def __init__(self, figure):
+    super().__init__()
+
+    self.setWindowTitle("Fit Plot")
+    self.resize(800, 600)
+
+    self.canvas = FigureCanvas(figure)
+    self.toolbar = NavigationToolbar(self.canvas, self)
+
+    layout = QVBoxLayout(self)
+    layout.addWidget(self.toolbar)
+    layout.addWidget(self.canvas)
+
+    self.setLayout(layout)
+
+
+class Fitting():
   def __init__(self):
 
     self.ExList = []
@@ -37,7 +61,7 @@ class Fitting:
           continue
             
         # Check for excitation energy lines
-        if line.startswith("#======================"):
+        if line.startswith("#="):
           # If there's an existing data block, save it
           if current_data:
             self.expData.append(np.array(current_data, dtype=float))
@@ -77,12 +101,12 @@ class Fitting:
 
   def FitData(self):
 
-    # Set initial offset values
+    figure_list = []
-    x_offset, y_offset = 2000, 100
-
-    figure = []
 
     for expDataID in range(len(self.expData)):
+      
+      print("============================================")
+
       # Get the number of fit options and cross-sections
       nFit = len(self.fitOption[expDataID])
       nXsec = len(self.data)
@@ -97,6 +121,8 @@ class Fitting:
       fitTheory_lower = []
       fitTheory_upper = []
 
+      chi_squared = []
+
       for k in range(nFit):
           # Get the cross-section IDs for the current fit option and strip extra spaces
           xsecIDStr = self.fitOption[expDataID][k].strip()
@@ -129,7 +155,14 @@ class Fitting:
                                 bounds=(lower_bounds, upper_bounds)) 
 
           perr = np.sqrt(np.diag(pcov))  # Standard deviation of the parameters
-          print(f"Fitted scale for fit {k+1}: {popt} +/- {perr}")
+
+          # Get the fitted model values
+          y_fit = fit_func(x_exp, *popt)
+          residuals = y_exp - y_fit
+          chi_squared.append(np.sum((residuals / y_err) ** 2))
+
+          print(f"Fitted scale for fit {k}: {', '.join([f'{x:.3f}' for x in popt])} +/- {', '.join([f'{x:.3f}' for x in perr])} | Chi^2 : {chi_squared[-1]:.4f}")
+          # print(f"Fitted scale for fit {k}: {popt} +/- {perr} | Chi^2 : {chi_squared[-1]:.4f}")
 
           # Append the theoretical fit for this fit option
           fitTheory.append(np.zeros_like(self.dataX))
@@ -146,14 +179,14 @@ class Fitting:
               fitTheory_lower[k] += (popt[p] - perr[p]) * np.interp(self.dataX, self.dataX, self.data[id])
 
       fig = plt.figure()
-      figure.append(fig)
+      figure_list.append(fig)
 
       # Plot results
-      plt.errorbar(x_exp, y_exp, xerr=x_err, yerr=y_err, fmt='o', label='Experimental Data', color='blue')
+      plt.errorbar(x_exp, y_exp, xerr=x_err, yerr=y_err, fmt='x', label='Experimental Data', color='black', markersize = 15, elinewidth=2)
 
       # Plot all fit theories
       for i, fit in enumerate(fitTheory):
-        plt.plot(self.dataX, fit, label=f'Xsec:{self.fitOption[expDataID][i]} Fit')
+        plt.plot(self.dataX, fit, label=f'Chi2:{chi_squared[i]:.3f} | Xsec:{self.fitOption[expDataID][i]} Fit')
         plt.fill_between(self.dataX, fitTheory_lower[i], fitTheory_upper[i], alpha=0.2)
 
       # Customize plot
@@ -168,11 +201,6 @@ class Fitting:
       plt.text(0.05, 0.05, f'Fit for Exp Data : {self.ExList[expDataID]} MeV', transform=plt.gca().transAxes,
          fontsize=12, verticalalignment='bottom', horizontalalignment='left', color='black')
 
-      manager = plt.get_current_fig_manager()
-      # manager.window.wm_geometry(f"+{x_offset}+{y_offset}")
-      manager.set_window_title(f"Exp Data : {self.ExList[expDataID]} MeV")
-      
-      x_offset += 100
-      y_offset += 100
 
-    plt.show()
+      
+    return figure_list

Cleopatra/MatPlotLibWindow.py

@@ -18,7 +18,7 @@ class MatPlotLibWindow(QWidget):
     super().__init__()
 
     self.setWindowTitle("DWBA Plot")
-    self.setGeometry(100, 100, 800, 600)
+    self.resize(800, 600)
 
     self.x = []
     self.data = []

PyGUIQt6/PtolemyGUIPy.py

@@ -17,7 +17,7 @@ from CustomTextEdit import CustomTextEdit
 from ExtractXsecPy import extract_xsec
 from ExWindow import ExWindow
 from MatPlotLibWindow import MatPlotLibWindow
-from FitExData import Fitting
+from FitExData import Fitting, FitPlotWidget
 
 ################################################## MainWindow
 class MyWindow(QMainWindow):
@@ -25,7 +25,7 @@ class MyWindow(QMainWindow):
     super().__init__()
 
     self.setWindowTitle("Ptolemy GUI")
-    self.setGeometry(100, 100, 1000, 800)
+    self.resize(1000, 800)
     self.setMinimumSize(1000, 800)
 
     self.lastDWBARecord = "lastDWBA.txt"
@@ -36,6 +36,7 @@ class MyWindow(QMainWindow):
     self.plot_window = MatPlotLibWindow() 
     self.Ex_window = ExWindow()
     self.fitting = Fitting()
+    self.fitCanvas = []
 
     # Set up Group Box for DWBA Control
     self.gbDWBA = QGroupBox("DWBA")
@@ -192,6 +193,7 @@ class MyWindow(QMainWindow):
 
     self.LoadFileToTextBox(self.DWBAFileName, True)
 
+    self.bnSaveFile.setEnabled(True)
     self.bnSaveExpDataFile.setEnabled(False)
 
     # Set up the layout
@@ -249,6 +251,7 @@ class MyWindow(QMainWindow):
       self.LoadFileToTextBox(self.DWBAFileName)
       self.SaveLastOpenDWBASource()
       self.bnSaveExpDataFile.setEnabled(False)
+      self.bnSaveFile.setEnabled(True)
 
   def OpenExpDataFile(self):
     file_path, _ = QFileDialog.getOpenFileName(self, "Open File", "", "Text File (*.txt)")        
@@ -257,13 +260,19 @@ class MyWindow(QMainWindow):
       self.leExpDataFileName.setText(self.ExpDataFileName)
       self.LoadFileToTextBox(self.ExpDataFileName)
       self.bnSaveExpDataFile.setEnabled(True)
+      self.bnSaveFile.setEnabled(False)
       self.SaveLastOpenDWBASource()
 
   def LoadExpDataToTextBox(self):
     self.LoadFileToTextBox(self.ExpDataFileName)
+    self.leFileName.setText(self.DWBAFileName)
     self.bnSaveExpDataFile.setEnabled(True)
+    self.bnSaveFile.setEnabled(False)
+
+  def LoadFileToTextBox(self, fileName, moveToButton = False):    
+    self.bnSaveExpDataFile.setEnabled(False)
+    self.bnSaveFile.setEnabled(True)
 
-  def LoadFileToTextBox(self, fileName, moveToButton = False):
     # print(fileName)
     try:
       with open(fileName, 'r') as file:
@@ -281,19 +290,19 @@ class MyWindow(QMainWindow):
       self.text_edit.setText(f"Failed to load file:\n{e}")
       self.leStatus.setText(f"Failed to load file:\n{e}")
     
-    self.bnSaveExpDataFile.setEnabled(False)
-  
   def SaveFile(self):
-    file_path = self.leFileName.text()
+    if self.bnSaveFile.isEnabled() :
-    with open(file_path, 'w') as file:
+      file_path = self.leFileName.text()
-      file.write(self.text_edit.toPlainText())
+      with open(file_path, 'w') as file:
-      self.leStatus.setText(f"File saved to: {file_path}")
+        file.write(self.text_edit.toPlainText())
+        self.leStatus.setText(f"File saved to: {file_path}")
   
   def SaveExpDataFile(self):
-    file_path = self.leExpDataFileName.text()
+    if self.bnSaveExpDataFile.isEnabled() :
-    with open(file_path, 'w') as file:
+      file_path = self.leExpDataFileName.text()
-      file.write(self.text_edit.toPlainText())
+      with open(file_path, 'w') as file:
-      self.leStatus.setText(f"File saved to: {file_path}")
+        file.write(self.text_edit.toPlainText())
+        self.leStatus.setText(f"File saved to: {file_path}")
 
   def DeleteinOutXsecFiles(self):
     if os.path.exists(self.DWBAFileName + ".in"):
@@ -365,9 +374,17 @@ class MyWindow(QMainWindow):
       self.Ex_window.show()
 
   def fitData(self):
+    self.SaveExpDataFile()
+
+    self.fitCanvas = []
     self.fitting.read_expData(self.ExpDataFileName)
     self.fitting.read_data(self.DWBAFileName + ".Xsec.txt")
-    self.fitting.FitData()
+    figures = self.fitting.FitData()
+
+    if figures:
+      for p, fig in enumerate(figures):
+        self.fitCanvas.append(FitPlotWidget(fig))
+        self.fitCanvas[-1].show()
 
   def closeEvent(self, event):
     if self.plot_window:
@@ -375,6 +392,9 @@ class MyWindow(QMainWindow):
     if self.Ex_window:
       self.Ex_window.close()  # Close the PlotWindow when MainWindow closes
       self.Ex_window.__del__()
+    if self.fitCanvas :
+      for x in self.fitCanvas:
+        x.close()
     print("============== Bye Bye ========== ")
     event.accept()  # Accept the event to proceed with closing the main window