From c70a1a2220274df9dbca86748c37f5a001dc4798 Mon Sep 17 00:00:00 2001
From: "Ryan@Home" <goluckyryan@gmail.com>
Date: Thu, 7 Nov 2024 22:55:42 -0500
Subject: [PATCH] when no expData found, create a template.

---
 Cleopatra/FitExData.py   | 10 +++++-----
 PyGUIQt6/PtolemyGUIPy.py | 28 ++++++++++++++++++++++++++--
 PyGUIQt6/expData.txt     | 25 -------------------------
 3 files changed, 31 insertions(+), 32 deletions(-)
 delete mode 100644 PyGUIQt6/expData.txt

diff --git a/Cleopatra/FitExData.py b/Cleopatra/FitExData.py
index d19cb1b..89ddc2d 100644
--- a/Cleopatra/FitExData.py
+++ b/Cleopatra/FitExData.py
@@ -65,16 +65,16 @@ class Fitting():
         if line.startswith("$"):
           continue
             
-        # Check for excitation energy lines
+        # Check for dataSet lines
         if line.startswith("#="):
           # If there's an existing data block, save it
           if current_data:
             self.expData.append(np.array(current_data, dtype=float))
             current_data = []
               
-          # Extract excitation energy
-          Ex_energy = line.split()[1]
-          self.ExList.append(float(Ex_energy))
+          # Extract dataSet Name
+          dataName = line.split()[1]
+          self.ExList.append(dataName)
         
         # Check for fit option lines
         elif line.startswith("fit"):
@@ -206,7 +206,7 @@ class Fitting():
       plt.yscale('log')
 
       # Replace plt.title() with plt.text() to position the title inside the plot
-      plt.text(0.05, 0.05, f'Fit for Exp Data : {self.ExList[expDataID]} MeV', transform=plt.gca().transAxes,
+      plt.text(0.05, 0.05, f'Fit for Exp Data : {self.ExList[expDataID]}', transform=plt.gca().transAxes,
          fontsize=12, verticalalignment='bottom', horizontalalignment='left', color='black')
 
       for i, _ in enumerate(para):
diff --git a/PyGUIQt6/PtolemyGUIPy.py b/PyGUIQt6/PtolemyGUIPy.py
index db327a7..506bef7 100755
--- a/PyGUIQt6/PtolemyGUIPy.py
+++ b/PyGUIQt6/PtolemyGUIPy.py
@@ -264,8 +264,23 @@ class MyWindow(QMainWindow):
       self.SaveLastOpenDWBASource()
 
   def LoadExpDataToTextBox(self):
-    self.LoadFileToTextBox(self.ExpDataFileName)
-    self.leFileName.setText(self.DWBAFileName)
+    if self.ExpDataFileName == "" :
+      self.text_edit.clear()
+      self.text_edit.append("$<-- for comment line")
+      self.text_edit.append("$No expData found, this is a template")
+      self.text_edit.append("$line start with '#=' starts a data set")
+      self.text_edit.append("#============== state")
+      self.text_edit.append("$line started with 'fit' indicate which DWBA Xsec to be fitted. ")
+      self.text_edit.append("$0 for the fist one, 0+1 fit both 0 and 1.")
+      self.text_edit.append("fit 0, 0+1")
+      self.text_edit.append("$angle_deg  ang_err   count   count_err")
+      self.text_edit.append("10          1         100     10")
+      self.text_edit.append("20          1         200     14")
+      self.text_edit.append("30          1         80      7")
+    else:
+      self.LoadFileToTextBox(self.ExpDataFileName)
+      self.leFileName.setText(self.DWBAFileName)
+
     self.bnSaveExpDataFile.setEnabled(True)
     self.bnSaveFile.setEnabled(False)
 
@@ -300,9 +315,18 @@ class MyWindow(QMainWindow):
   def SaveExpDataFile(self):
     if self.bnSaveExpDataFile.isEnabled() :
       file_path = self.leExpDataFileName.text()
+      if file_path == "" :
+        file_path, _ = QFileDialog.getSaveFileName(self, "Save File", "", "Text Files (*.txt)")
+        if not file_path.lower().endswith(".txt"):
+          file_path += ".txt"  
+        self.leExpDataFileName.setText(file_path)
+        self.ExpDataFileName = file_path
+
       with open(file_path, 'w') as file:
         file.write(self.text_edit.toPlainText())
         self.leStatus.setText(f"File saved to: {file_path}")
+      
+      self.SaveLastOpenDWBASource()
 
   def DeleteinOutXsecFiles(self):
     if os.path.exists(self.DWBAFileName + ".in"):
diff --git a/PyGUIQt6/expData.txt b/PyGUIQt6/expData.txt
deleted file mode 100644
index 5ac8373..0000000
--- a/PyGUIQt6/expData.txt
+++ /dev/null
@@ -1,25 +0,0 @@
-#================ 4.4 MeV
-fit 0, 1
-#angle err  count err
-28.71  1.845  129  11.4
-32.74  1.62    60   7.7
-#================ 15.11 MeV
-fit 2, 3, 4
-12.70  2.85    112  10.6
-22.73  2.97     68   8.2
-28.90  2.31     49   7.0
-#================ 15.11 MeV
-fit 2+3
-12.70  2.85    112  10.6
-22.73  2.97     68   8.2
-28.90  2.31     49   7.0
-#================ 15.11 MeV
-fit 3+4
-12.70  2.85    112  10.6
-22.73  2.97     68   8.2
-28.90  2.31     49   7.0
-#================ 15.11 MeV
-fit 2+3+4
-12.70  2.85    112  10.6
-22.73  2.97     68   8.2
-28.90  2.31     49   7.0
\ No newline at end of file