SOLARIS_Analysis/WebSimHelper/isotopeLib.py

#!/usr/bin/env /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

livechart = "https://nds.iaea.org/relnsd/v0/data?"

def lc_read_csv(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))

# Read the saved CSV file back into a DataFrame
try :
  haha = pd.read_csv('IAEA_NuclearData.csv')
except FileNotFoundError:
  # the service URL
  url = livechart + "fields=ground_states&nuclides=all"
  haha = lc_read_csv(url)
  haha.insert(0, 'A', haha['z'] + haha['n'])
  haha.to_csv('IAEA_NuclearData.csv', index=False)
  haha = pd.read_csv('IAEA_NuclearData.csv')

# 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(ASym : str, maxEx : float) ->pd.DataFrame:
  try:
    exList = lc_read_csv(livechart + "fields=levels&nuclides=" + ASym)
    exJpi = exList[['energy', 'jp']]
    exJpi = exJpi[exJpi['energy'] < (maxEx * 1000)]
    return exJpi
  except:
    return pd.DataFrame()

def BreakDownName(ASym : str):
  match =  re.match(r'(\d+)(\D+)', ASym)
  return [int(match.group(1)), match.group(2) ]

def GetAZ(ASym : str):
  [A, sym] = BreakDownName(ASym)
  try:
    dudu = haha[(haha['symbol']==sym) & (haha['A']==A)]
    Z  = int(dudu['z'].iloc[0])
    return [A, Z]
  except:
    return [A, numpy.nan]

def GetBindingPerA(ASym : str) -> float: 
  [A, sym] = BreakDownName(ASym)
  try:
    dudu = haha[(haha['symbol']==sym) & (haha['A']==A)]
    Z  = int(dudu['z'].iloc[0])
    N  = A - Z
    return dudu['binding'].iloc[0]/1000
  except:
    return numpy.nan

def GetMassFromSym(ASym : str) -> float:
  [A, sym] = BreakDownName(ASym)
  try:
    dudu = haha[(haha['symbol']==sym) & (haha['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(A : int, Z : int) -> float:
  try:
    dudu = haha[(haha['z']==Z) & (haha['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(A : int, Z : int) -> str:
  try:
    dudu = haha[(haha['z']==Z) & (haha['A']==A)]
    return "%d%s" % (A , dudu['symbol'].iloc[0])
  except:
    return "0x"

def GetJpi(ASym : str):
  [A, sym] = BreakDownName(ASym)
  try:
    dudu = haha[(haha['symbol']==sym) & (haha['A']==A)]
    return dudu['jp'].iloc[0]
  except:
    return "unknown"

def GetHalfLife(ASym : str) -> float:
  [A, sym] = BreakDownName(ASym)
  try:
    dudu = haha[(haha['symbol']==sym) & (haha['A']==A)]
    return dudu['half_life_sec'].iloc[0]
  except:
    return "unknown"

def GetSn(ASym : str) -> float:
  [A, Z] = GetAZ(ASym)
  if numpy.isnan(Z) :
    return numpy.nan
  else:
    mass0 = GetMassFromAZ(A, Z)
    mass1 = GetMassFromAZ(A-1, Z)
    return mass1 + mn - mass0  

def GetSp(ASym : str):
  [A, Z] = GetAZ(ASym)
  if numpy.isnan(Z) :
    return numpy.nan
  else:
    mass0 = GetMassFromAZ(A, Z)
    mass1 = GetMassFromAZ(A-1, Z-1)
    return mass1 + mp - mass0

def GetSa(ASym : str):
  [A, Z] = GetAZ(ASym)
  if numpy.isnan(Z) :
    return numpy.nan
  else:
    mass0 = GetMassFromAZ(A, Z)
    mass1 = GetMassFromAZ(A-4, Z-2)
    return mass1 + ma - mass0
  
def PrintIso(ASym: str):
  [A, Z] = GetAZ(ASym)
  print("========================= ", ASym)
  print("A : %d, Z : %d, N : %d" % (A, Z, A-Z))
  print("      Jpi : ", GetJpi(ASym))
  print("half-live : %.2f sec" % (GetHalfLife(ASym)))
  print("     Mass : %9.2f MeV" % (GetMassFromSym(ASym) ))
  print("  Binding : %9.2f MeV/A" % (GetBindingPerA(ASym)))
  print("  Binding : %9.2f MeV" % (GetBindingPerA(ASym) * A))
  print("        Sn: %9.2f MeV" % GetSn(ASym))
  print("        Sp: %9.2f MeV" % GetSp(ASym))
  print("        Sa: %9.2f MeV" % GetSa(ASym))
  print("=============================")

def PrintIsoWeb(ASym : str):
  [A, Z] = GetAZ(ASym)
  print("<br>========================= ", ASym)
  print("<br>A : %d, Z : %d, N : %d" % (A, Z, A-Z))
  print("<br>      Jpi : ", GetJpi(ASym))
  print("<br>half-live : %.2f sec" % (GetHalfLife(ASym)))
  print("<br>     Mass : %9.2f MeV" % (GetMassFromSym(ASym) ))
  print("<br>  Binding : %9.2f MeV/A" % (GetBindingPerA(ASym)))
  print("<br>  Binding : %9.2f MeV" % (GetBindingPerA(ASym) * A))
  print("<br>        Sn: %9.2f MeV" % GetSn(ASym))
  print("<br>        Sp: %9.2f MeV" % GetSp(ASym))
  print("<br>        Sa: %9.2f MeV" % GetSa(ASym))
  print("<br>=============================")


def PrintIsoExWeb(ASym : str, maxEx : float):
  exList = 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>")