TDCRPy 2.0.7__tar.gz → 2.0.8__tar.gz

{tdcrpy-2.0.7/TDCRPy.egg-info → tdcrpy-2.0.8}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.1
 Name: TDCRPy
-Version: 2.0.7
+Version: 2.0.8
 Summary: TDCR model
 Home-page: https://pypi.org/project/TDCRPy/
 Author: RomainCoulon (Romain Coulon)

{tdcrpy-2.0.7 → tdcrpy-2.0.8/TDCRPy.egg-info}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.1
 Name: TDCRPy
-Version: 2.0.7
+Version: 2.0.8
 Summary: TDCR model
 Home-page: https://pypi.org/project/TDCRPy/
 Author: RomainCoulon (Romain Coulon)

tdcrpy-2.0.8/TDCRPy.egg-info/SOURCES.txt

@@ -0,0 +1,85 @@
+LICENCE.md
+MANIFEST.in
+README.md
+setup.py
+TDCRPy.egg-info/PKG-INFO
+TDCRPy.egg-info/SOURCES.txt
+TDCRPy.egg-info/dependency_links.txt
+TDCRPy.egg-info/requires.txt
+TDCRPy.egg-info/top_level.txt
+tdcrpy/TDCRPy.py
+tdcrpy/TDCRPy1.py
+tdcrpy/TDCR_model_lib.py
+tdcrpy/TDCRoptimize.py
+tdcrpy/__init__.py
+tdcrpy/config.toml
+tdcrpy/test2.py
+tdcrpy/MCNP-MATRIX/Spectra_for_analytical_model/dep_spectrum_C-14.txt
+tdcrpy/MCNP-MATRIX/Spectra_for_analytical_model/dep_spectrum_Ca-45.txt
+tdcrpy/MCNP-MATRIX/Spectra_for_analytical_model/dep_spectrum_Co-60.txt
+tdcrpy/MCNP-MATRIX/Spectra_for_analytical_model/dep_spectrum_H-3.txt
+tdcrpy/MCNP-MATRIX/Spectra_for_analytical_model/dep_spectrum_Ni-63.txt
+tdcrpy/MCNP-MATRIX/Spectra_for_analytical_model/dep_spectrum_Pm-147.txt
+tdcrpy/MCNP-MATRIX/Spectra_for_analytical_model/dep_spectrum_Pu-241.txt
+tdcrpy/MCNP-MATRIX/Spectra_for_analytical_model/dep_spectrum_S-35.txt
+tdcrpy/MCNP-MATRIX/Spectra_for_analytical_model/dep_spectrum_Sr-89.txt
+tdcrpy/MCNP-MATRIX/Spectra_for_analytical_model/dep_spectrum_Sr-90.txt
+tdcrpy/MCNP-MATRIX/Spectra_for_analytical_model/dep_spectrum_Tc-99.txt
+tdcrpy/MCNP-MATRIX/matrice/fichier/E_depose.txt
+tdcrpy/MCNP-MATRIX/matrice/fichier/matrice_10ml-beta-_1_200k.txt
+tdcrpy/MCNP-MATRIX/matrice/fichier/matrice_10ml-beta-_2000_10000k.txt
+tdcrpy/MCNP-MATRIX/matrice/fichier/matrice_10ml-beta-_200_2000k.txt
+tdcrpy/MCNP-MATRIX/matrice/fichier/matrice_10ml-photon_1_200k.txt
+tdcrpy/MCNP-MATRIX/matrice/fichier/matrice_10ml-photon_2000_10000k.txt
+tdcrpy/MCNP-MATRIX/matrice/fichier/matrice_10ml-photon_200_2000k.txt
+tdcrpy/MCNP-MATRIX/matrice/fichier/matrice_13ml-beta-_1_200k.txt
+tdcrpy/MCNP-MATRIX/matrice/fichier/matrice_13ml-beta-_2000_10000k.txt
+tdcrpy/MCNP-MATRIX/matrice/fichier/matrice_13ml-beta-_200_2000k.txt
+tdcrpy/MCNP-MATRIX/matrice/fichier/matrice_13ml-photon_1_200k.txt
+tdcrpy/MCNP-MATRIX/matrice/fichier/matrice_13ml-photon_2000_10000k.txt
+tdcrpy/MCNP-MATRIX/matrice/fichier/matrice_13ml-photon_200_2000k.txt
+tdcrpy/MCNP-MATRIX/matrice/fichier/matrice_16ml-beta-_1_200k.txt
+tdcrpy/MCNP-MATRIX/matrice/fichier/matrice_16ml-beta-_2000_10000k.txt
+tdcrpy/MCNP-MATRIX/matrice/fichier/matrice_16ml-beta-_200_2000k.txt
+tdcrpy/MCNP-MATRIX/matrice/fichier/matrice_16ml-photon_1_200k.txt
+tdcrpy/MCNP-MATRIX/matrice/fichier/matrice_16ml-photon_2000_10000k.txt
+tdcrpy/MCNP-MATRIX/matrice/fichier/matrice_16ml-photon_200_2000k.txt
+tdcrpy/Micelle/2nmfaq01.csv
+tdcrpy/Micelle/faq01.csv
+tdcrpy/Quenching/QuenchEnergyAlpha_0.015.txt
+tdcrpy/Quenching/QuenchEnergyAlpha_1.1e-05.txt
+tdcrpy/Quenching/QuenchEnergyAlpha_1.2e-05.txt
+tdcrpy/Quenching/QuenchEnergyAlpha_1.3e-05.txt
+tdcrpy/Quenching/QuenchEnergyAlpha_1.4e-05.txt
+tdcrpy/Quenching/QuenchEnergyAlpha_1.5e-05.txt
+tdcrpy/Quenching/QuenchEnergyAlpha_1e-05.txt
+tdcrpy/Quenching/QuenchEnergyAlpha_6e-06.txt
+tdcrpy/Quenching/QuenchEnergyAlpha_7e-06.txt
+tdcrpy/Quenching/QuenchEnergyAlpha_8e-06.txt
+tdcrpy/Quenching/QuenchEnergyAlpha_9e-06.txt
+tdcrpy/Quenching/QuenchEnergyElectron_0.006.txt
+tdcrpy/Quenching/QuenchEnergyElectron_0.007.txt
+tdcrpy/Quenching/QuenchEnergyElectron_0.008.txt
+tdcrpy/Quenching/QuenchEnergyElectron_0.009.txt
+tdcrpy/Quenching/QuenchEnergyElectron_0.01.txt
+tdcrpy/Quenching/QuenchEnergyElectron_0.011.txt
+tdcrpy/Quenching/QuenchEnergyElectron_0.012.txt
+tdcrpy/Quenching/QuenchEnergyElectron_0.013.txt
+tdcrpy/Quenching/QuenchEnergyElectron_0.014.txt
+tdcrpy/Quenching/QuenchEnergyElectron_0.015.txt
+tdcrpy/Quenching/TandataUG.txt
+tdcrpy/Quenching/alpha_toulene.txt
+tdcrpy/Quenching/inputVecteurAlpha.txt
+tdcrpy/Quenching/inputVecteurElectron.txt
+tdcrpy/decayData/All-nuclides_BetaShape.zip
+tdcrpy/decayData/All-nuclides_Ensdf.zip
+tdcrpy/decayData/All-nuclides_PenNuc.zip
+tdcrpy/decayData/atom-ENDF-VII0.zip
+tdcrpy/decayData/photo-ENDF.zip
+tdcrpy/docs/_build/html/genindex.html
+tdcrpy/docs/_build/html/index.html
+tdcrpy/docs/_build/html/search.html
+tdcrpy/docs/_build/html/source/modules.html
+tdcrpy/docs/_build/html/source/tdcrpy.html
+tdcrpy/test/__init__.py
+tdcrpy/test/test_tdcrpy.py

{tdcrpy-2.0.7 → tdcrpy-2.0.8}/setup.py

@@ -2,7 +2,7 @@ from setuptools import setup, find_packages
 import codecs
 import os
 
-VERSION = "2.0.7"
+VERSION = "2.0.8"
 
 DESCRIPTION = "TDCR model"
 

{tdcrpy-2.0.7 → tdcrpy-2.0.8}/tdcrpy/TDCR_model_lib.py

@@ -47,6 +47,13 @@ def readParameters(disp=False):
     RHO = config["Inputs"].getfloat("density")
     Z = config["Inputs"].getfloat("Z")
     A = config["Inputs"].getfloat("A")
+    pH = config["Inputs"].getfloat("pH")
+    pC = config["Inputs"].getfloat("pC")
+    pN = config["Inputs"].getfloat("pN")
+    pO = config["Inputs"].getfloat("pO")
+    pP = config["Inputs"].getfloat("pP")
+    pCl = config["Inputs"].getfloat("pCl")
+    
     depthSpline = config["Inputs"].getint("depthSpline")
     Einterp_a = config["Inputs"].getfloat("Einterp_a")
     Einterp_e = config["Inputs"].getfloat("Einterp_e")
@@ -60,6 +67,9 @@ def readParameters(disp=False):
         print(f"density = {RHO} g/cm3")
         print(f"Z = {Z}")
         print(f"A = {A}")
+        print(f"Atomic fraction: [H] = {pH:.6f}, [C] = {pC:.6f}")
+        print(f"[N] = {pN:.6f}, [O] = {pO:.6f}")
+        print(f"[P] = {pP:.6f}, [Cl] = {pCl:.6f}")
         print(f"depth of spline interp. = {depthSpline}")
         print(f"energy above which interp. in implemented (for alpha) = {Einterp_a} keV")
         print(f"energy above which interp. in implemented (for electron) = {Einterp_e} keV")
@@ -70,9 +80,12 @@ def readParameters(disp=False):
         print(f"extended dead time = {extDT} µs")
         print(f"measurement time = {measTime} min")
     
-    return nE_electron, nE_alpha, RHO, Z, A, depthSpline, Einterp_a, Einterp_e, diam_micelle, fAq, tau, extDT, measTime, micCorr
+    return nE_electron, nE_alpha, RHO, Z, A, depthSpline, Einterp_a, Einterp_e, diam_micelle, fAq, tau, extDT, measTime, micCorr, pH,pC,pN,pO,pP,pCl
+
+nE_electron, nE_alpha, RHO, Z, A, depthSpline, Einterp_a, Einterp_e, diam_micelle, fAq, tau, extDT, measTime, micCorr, pH,pC,pN,pO,pP,pCl = readParameters()
 
-nE_electron, nE_alpha, RHO, Z, A, depthSpline, Einterp_a, Einterp_e, diam_micelle, fAq, tau, extDT, measTime, micCorr = readParameters()
+p_atom = np.array([pH,pC,pN,pO,pP,pCl]) # atom abondance in the scintillator
+p_atom /= sum(p_atom) 
 
 def readConfigAsstr():
     path2config = str(config.read(file_conf)[0])
@@ -115,6 +128,17 @@ def modifyA(x):
     data1 = data0.replace(f"A = {x0}",f"A = {x}")
     writeConfifAsstr(data1)
 
+def modifyAtmConc(x):
+    data0 = readConfigAsstr()
+    x0 = readParameters()[-6:]
+    data1 = data0.replace(f"pH = {x0[0]:.6f}",f"pH = {x[0]:.6f}")
+    data1 = data1.replace(f"pC = {x0[1]:.6f}",f"pH = {x[1]:.6f}")
+    data1 = data1.replace(f"pN = {x0[2]:.6f}",f"pN = {x[2]:.6f}")
+    data1 = data1.replace(f"pO = {x0[3]:.6f}",f"pO = {x[3]:.6f}")
+    data1 = data1.replace(f"pP = {x0[4]:.6f}",f"pP = {x[4]:.6f}") #
+    data1 = data1.replace(f"pCl = {x0[5]:.6f}",f"pCl = {x[5]:.6f}")
+    writeConfifAsstr(data1)
+
 def modifyDepthSpline(x):
     data0 = readConfigAsstr()
     x0 = readParameters()[5]
@@ -2184,7 +2208,7 @@ def read_ENDF_photon(atom,z=z_endf_ph):
 
 
 
-def interaction_scintillation(e_p):
+def interaction_scintillation(e_p, p_atom=p_atom):
     """
     Simulation of the photoelectric interaction
 
@@ -2203,7 +2227,7 @@ def interaction_scintillation(e_p):
         target atom ('H', ...).
 
     """
-    p_atom = np.array([0.578772,0.338741,0.000302,0.082022,0.000092,0.000071]) # atom abondance in the scintillator
+    # p_atom = np.array([0.578772,0.338741,0.000302,0.082022,0.000092,0.000071]) # atom abondance in the scintillator
     atom = ['H','C','N','O','P','Cl']
     # sampling atom