plane to add IAEA data and use that to plot Ex level

.gitignore

@@ -6,4 +6,4 @@ Cleopatra/InFileCreator
 Cleopatra/Isotope
 Cleopatra/PlotTGraphTObjArray
 
-__pycache__
+__pycache__

PyGUIQt6/IAEANuclearData.py

@@ -0,0 +1,190 @@
+#!/usr/bin/python3
+
+import pandas as pd
+import urllib.request
+import re
+import numpy
+
+me = 0.51099895000 # +- 15
+mp = 938.27208816 # +- 29
+mn = 939.56542052 # +- 54
+ma = 3727.37915 
+
+class Isotope:
+  def __int__(self):
+
+    self.livechart = "https://nds.iaea.org/relnsd/v0/data?"
+    self.data = None
+
+    # Read the saved CSV file back into a DataFrame
+    try :
+      self.data = pd.read_csv('IAEA_NuclearData.csv')
+    except FileNotFoundError:
+      # the service URL
+      url = self.livechart + "fields=ground_states&nuclides=all"
+      self.data = self.lc_read_csv(url)
+      self.data.insert(0, 'A', self.data['z'] + self.data['n'])
+      self.data.to_csv('IAEA_NuclearData.csv', index=False)
+      self.data = pd.read_csv('IAEA_NuclearData.csv')
+
+  def lc_read_csv(self, url):    
+    req = urllib.request.Request(url)
+    req.add_header('User-Agent', 'Mozilla/5.0 (X11; Ubuntu; Linux x86_64; rv:77.0) Gecko/20100101 Firefox/77.0')
+    return pd.read_csv(urllib.request.urlopen(req))
+
+
+  # print(haha.columns)
+  ## ['A', 'z', 'n', 'symbol', 'radius', 'unc_r', 'abundance', 'unc_a',
+  ##        'energy_shift', 'energy', 'unc_e', 'ripl_shift', 'jp', 'half_life',
+  ##        'operator_hl', 'unc_hl', 'unit_hl', 'half_life_sec', 'unc_hls',
+  ##        'decay_1', 'decay_1_%', 'unc_1', 'decay_2', 'decay_2_%', 'unc_2',
+  ##        'decay_3', 'decay_3_%', 'unc_3', 'isospin', 'magnetic_dipole', 'unc_md',
+  ##        'electric_quadrupole', 'unc_eq', 'qbm', 'unc_qb', 'qbm_n', 'unc_qbmn',
+  ##        'qa', 'unc_qa', 'qec', 'unc_qec', 'sn', 'unc_sn', 'sp', 'unc_sp',
+  ##        'binding', 'unc_ba', 'atomic_mass', 'unc_am', 'massexcess', 'unc_me',
+  ##        'me_systematics', 'discovery', 'ENSDFpublicationcut-off',
+  ##        'ENSDFauthors', 'Extraction_date']
+
+
+  def GetExList(self, ASym : str, maxEx : float):
+    try:
+      exList = self.lc_read_csv(self.livechart + "fields=levels&nuclides=" + ASym)
+      exJpi = exList[['energy', 'jp']]
+      exJpi = exJpi[exJpi['energy'] < (maxEx * 1000)]
+      return exJpi
+    except:
+      return pd.DataFrame()
+
+  def BreakDownName(self, ASym : str):
+    match =  re.match(r'(\d+)(\D+)', ASym)
+    return [int(match.group(1)), match.group(2) ]
+
+  def GetAZ(self, ASym : str):
+    [A, sym] = self.BreakDownName(ASym)
+    try:
+      dudu = self.data[(self.data['symbol']==sym) & (self.data['A']==A)]
+      Z  = int(dudu['z'].iloc[0])
+      return [A, Z]
+    except:
+      return [A, numpy.nan]
+
+  def GetBindingPerA(self, ASym : str) -> float: 
+    [A, sym] = self.BreakDownName(ASym)
+    try:
+      dudu = self.data[(self.data['symbol']==sym) & (self.data['A']==A)]
+      Z  = int(dudu['z'].iloc[0])
+      N  = A - Z
+      return dudu['binding'].iloc[0]/1000
+    except:
+      return numpy.nan
+
+  def GetMassFromSym(self, ASym : str) -> float:
+    [A, sym] = self.BreakDownName(ASym)
+    try:
+      dudu = self.data[(self.data['symbol']==sym) & (self.data['A']==A)]
+      Z  = int(dudu['z'].iloc[0])
+      N  = A - Z
+      binding = dudu['binding'].iloc[0]/1000
+      return Z*mp + N*mn - binding*A
+    except:
+      return numpy.nan
+
+  def GetMassFromAZ(self, A : int, Z : int) -> float:
+    try:
+      dudu = self.data[(self.data['z']==Z) & (self.data['A']==A)]
+      Z  = int(dudu['z'].iloc[0])
+      N  = A - Z
+      binding = dudu['binding'].iloc[0]/1000
+      return Z*mp + N*mn - binding*A
+    except:
+      return numpy.nan
+
+  def GetSymbol(self, A : int, Z : int) -> str:
+    try:
+      dudu = self.data[(self.data['z']==Z) & (self.data['A']==A)]
+      return "%d%s" % (A , dudu['symbol'].iloc[0])
+    except:
+      return "0x"
+
+  def GetJpi(self, ASym : str):
+    [A, sym] = self.BreakDownName(ASym)
+    try:
+      dudu = self.data[(self.data['symbol']==sym) & (self.data['A']==A)]
+      return dudu['jp'].iloc[0]
+    except:
+      return "unknown"
+
+  def GetHalfLife(self, ASym : str) -> float:
+    [A, sym] = self.BreakDownName(ASym)
+    try:
+      dudu = self.data[(self.data['symbol']==sym) & (self.data['A']==A)]
+      return dudu['half_life_sec'].iloc[0]
+    except:
+      return "unknown"
+
+  def GetSn(self, ASym : str) -> float:
+    [A, Z] = self.GetAZ(ASym)
+    if numpy.isnan(Z) :
+      return numpy.nan
+    else:
+      mass0 = self.GetMassFromAZ(A, Z)
+      mass1 = self.GetMassFromAZ(A-1, Z)
+      return mass1 + mn - mass0  
+
+  def GetSp(self, ASym : str):
+    [A, Z] = self.GetAZ(ASym)
+    if numpy.isnan(Z) :
+      return numpy.nan
+    else:
+      mass0 = self.GetMassFromAZ(A, Z)
+      mass1 = self.GetMassFromAZ(A-1, Z-1)
+      return mass1 + mp - mass0
+
+  def GetSa(self, ASym : str):
+    [A, Z] = self.GetAZ(ASym)
+    if numpy.isnan(Z) :
+      return numpy.nan
+    else:
+      mass0 = self.GetMassFromAZ(A, Z)
+      mass1 = self.GetMassFromAZ(A-4, Z-2)
+      return mass1 + ma - mass0
+    
+  def PrintIso(self, ASym: str):
+    [A, Z] = self.GetAZ(ASym)
+    print("========================= ", ASym)
+    print("A : %d, Z : %d, N : %d" % (A, Z, A-Z))
+    print("      Jpi : ", self.GetJpi(ASym))
+    print("half-live : %.2f sec" % (self.GetHalfLife(ASym)))
+    print("     Mass : %9.2f MeV" % (self.GetMassFromSym(ASym) ))
+    print("  Binding : %9.2f MeV/A" % (self.GetBindingPerA(ASym)))
+    print("  Binding : %9.2f MeV" % (self.GetBindingPerA(ASym) * A))
+    print("        Sn: %9.2f MeV" % self.GetSn(ASym))
+    print("        Sp: %9.2f MeV" % self.GetSp(ASym))
+    print("        Sa: %9.2f MeV" % self.GetSa(ASym))
+    print("=============================")
+
+  def PrintIsoWeb(self, ASym : str):
+    [A, Z] = self.GetAZ(ASym)
+    print("<br>========================= ", ASym)
+    print("<br>A : %d, Z : %d, N : %d" % (A, Z, A-Z))
+    print("<br>      Jpi : ", self.GetJpi(ASym))
+    print("<br>half-live : %.2f sec" % (self.GetHalfLife(ASym)))
+    print("<br>     Mass : %9.2f MeV" % (self.GetMassFromSym(ASym) ))
+    print("<br>  Binding : %9.2f MeV/A" % (self.GetBindingPerA(ASym)))
+    print("<br>  Binding : %9.2f MeV" % (self.GetBindingPerA(ASym) * A))
+    print("<br>        Sn: %9.2f MeV" % self.GetSn(ASym))
+    print("<br>        Sp: %9.2f MeV" % self.GetSp(ASym))
+    print("<br>        Sa: %9.2f MeV" % self.GetSa(ASym))
+    print("<br>=============================")
+
+
+  def PrintIsoExWeb(self, ASym : str, maxEx : float):
+    exList = self.GetExList(ASym, maxEx)
+    if exList.empty:
+      print("<br> cannot find Ex data")
+    else:
+      print("<table>")
+      for i in range(0,len(exList)):
+        print("<tr><td style=\"text-align:right\" width=80>%9.3f</td><td style=\"text-align:right\" width=100>%s</td></tr>" % (exList['energy'].iloc[i]/1000, exList['jp'].iloc[i].replace(' ', ',')))
+      print("</table>")
+

PyGUIQt6/README.md

@@ -1,3 +1,26 @@
 
+# Force install as system packages
 
-~>python3 -m pip install PyQt6 PyQt6-WebEngine Plotly
+Do it as your own risk. If you have other pyQt project, I highly NOT recommand.
+
+ >python3 -m pip install --break-system-package PyQt6 PyQt6-WebEngine Plotly
+
+# Use Python Virtual Enviroment
+
+To enable virtual enviroment
+ >sudo apt install python3.12-venv
+
+create an virtual enivriment with name ptolemyGUI
+ >python3 -m venv ptolemyGUI
+
+To activate the virtual enviroment
+ >source ptolemyGUI/bin/activate
+
+To install the packages
+ >pip install -r requirements.txt
+
+To deactivate the virtual enviroment
+ >deactivate
+
+To remove the virtual enviroment, simply remove the folder
+ >rm -rf ptolemyGUI

PyGUIQt6/requirements.txt

@@ -0,0 +1,6 @@
+plotly
+PyQt6
+PyQt6-Qt6
+PyQt6-WebEngine
+numpy
+pandas

PyGUIQt6/test.py

@@ -0,0 +1,7 @@
+#!/usr/bin/python3
+
+from IAEANuclearData import Isotope
+
+iso = Isotope()
+
+iso.PrintIso('16O')