TDCRPy 1.8.16__py3-none-any.whl → 1.9.0__py3-none-any.whl

{TDCRPy-1.8.16.dist-info → TDCRPy-1.9.0.dist-info}/METADATA

@@ -1,11 +1,10 @@
 Metadata-Version: 2.1
 Name: TDCRPy
-Version: 1.8.16
+Version: 1.9.0
 Summary: TDCR model
 Home-page: https://pypi.org/project/TDCRPy/
 Author: RomainCoulon (Romain Coulon)
 Author-email: <romain.coulon@bipm.org>
-License: MIT
 Project-URL: Documentation, https://github.com/RomainCoulon/TDCRPy/
 Keywords: Python,TDCR,Monte-Carlo,radionuclide,scintillation,counting
 Classifier: Development Status :: 4 - Beta
@@ -224,10 +223,12 @@ By default, the Monte-Carlo model is not applied for the following list radionuc
 An advanced setting can be configured in the `config.toml` file for functions `TDCRPy.TDCRPy()` and `TDCRoptimize.eff()`. In this file:
 *  By default `Y = True` so that the analytical model is applied for solution containing only pure beta emitting radionuclides. If you would like to apply the MC calculation also for these nuclides, set `Y = False`.
 *  The list of radionuclides for which the analytical model is applied is defined by default such as `radListPureBeta = H-3, C-14, S-35, Ca-45, Ni-63, Sr-89, Sr-90, Tc-99, Pm-147, Pu-241`.
-*  The number of bins to discretize the linear energy space for quenching calculation for the radionuclides listed above has been set to induce an error from numerical approximation below 10^-4^. Thus the parameter `nE = 7000, 1000, 1000, 500, 2000, 50, 200, 500, 1000, 7000`.
+*  The number of bins to discretize the linear energy space for quenching calculation for the radionuclides listed above has been set to induce an error from numerical approximation below 10^-4^. Thus the parameter `nE = 7000, 1000, 1000, 500, 2000, 500, 200, 500, 1000, 7000`.
 *  In the case of Monte-Carlo calculation, the number of bins to discretize the linear energy space for quenching calculation can be adjusted. `nE_electron` and `nE_alpha` parameters for respectively electrons and alpha particles are respectiveley set by default such as `nE_electron = 1000`
 and `nE_alpha = 1000`. These values ensure an error on quenched energy estimation from numerical approximation below 10^-3^.
 * By default the calculation is set for Ultima-Gold cocktail mixed with a small amount of aqueous solution. You can adapt for a specific scintillator by changing the `density` (default `density=0.96`), the mean charge number `Z` (default `Z=5.2`) and the mean mass number `A` (default `A=11.04`) of the scintillator.
+* To process photoelectric interactions, the atomic concentration of the scintillator is spectified. By default `pH = 0.578772`, `pC = 0.338741`, `pN = 0.000302`, `pO = 0.082022`, `pP = 0.000092`, `pCl = 0.000071`
+* A correction due reverse micelles in the scintillator is implemented. The diameter of the micelles and the fraction of aqueous solution is specified. By defaut `diam_micelle = 2`, `fAq = 0.1`
 * To optimize the speed of the Monte-Carlo calculation, a spline interpolation on precalculated quenched energy is applied. The parameter `depthSpline` (default `depthSpline = 5`) sets the number of bins on each side of the energy point on which the interpolation is applied. The parameter `Einterp` (default `Einterp = 1`) set the energy (in keV) above which the interpolation is applied.
 
 ### TDCRoptimize.eff()

{TDCRPy-1.8.16.dist-info → TDCRPy-1.9.0.dist-info}/RECORD

@@ -1,9 +1,9 @@
-tdcrpy/TDCRPy.py,sha256=Bum4D8UYnWrr2Fa--2RdvvpTaeqIZ4KGc2o230hyt8A,53469
+tdcrpy/TDCRPy.py,sha256=PTLcVHocXvnkO-LmDbWTtMCMfdUavveB-YtOFNGHtIM,53603
 tdcrpy/TDCRPy1.py,sha256=QTBZh5B5JWnGB0BQfD-cFmwA9W080OD4sG-aj50-ejo,38106
-tdcrpy/TDCR_model_lib.py,sha256=k1SYxO5qZyL-IOn-EX465zXa8H4DY8eNZHqVqlkoI8k,98155
+tdcrpy/TDCR_model_lib.py,sha256=pXzxdFEheBHHBbwbqi2CLNezgiIThm9tkAyIJ8NQdRg,98155
 tdcrpy/TDCRoptimize.py,sha256=c2XIGveeLdVYYek4Rg6dygMvVA2xIrIkMb3L-_jUucM,6496
 tdcrpy/__init__.py,sha256=vQslGLsoZPIceaitnSHOqN6lUdjEyJ3YhfJ6tYdXt-s,127
-tdcrpy/config.toml,sha256=Qm7_Mo3nBKUfNLqhUMP4zA-pjNksy9DzRb7LVR135oY,1876
+tdcrpy/config.toml,sha256=rHuuM520HZquGrEd8LAVUdvnzZGtk90pigudy-MXnm8,1389
 tdcrpy/test2.py,sha256=poLLXJyIaCeqh1VSkwgbi-udvY7lQjxz_YStKjJXGhU,501
 tdcrpy/EfficiencyCurves/Ag-108/EffD_Ag-108_[1]_1e-05.txt,sha256=OUoMuqPTw3fXLu5qaHUFN2iW0dPJ9cRyh99a6mUcEus,43
 tdcrpy/EfficiencyCurves/Ag-108/EffS_Ag-108_[1]_1e-05.txt,sha256=hojCq_MFAw8ONjoDmQfeE9gCXISwhScgAk-N0Pjbg00,45
@@ -1079,9 +1079,9 @@ tdcrpy/docs/_build/html/search.html,sha256=IeTP6CsRdqKWOJttbtskg1oBgdN8norKlzai4
 tdcrpy/docs/_build/html/source/modules.html,sha256=Jf-qxVBId0UgpwyvYuyjtMNG-ezPOK1oH_IxRXAWTRs,3601
 tdcrpy/docs/_build/html/source/tdcrpy.html,sha256=-38lHMNFB22p1tWJEeN3yDqfDiCYE304vxDamO1-iRc,3779
 tdcrpy/test/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
-tdcrpy/test/test_tdcrpy.py,sha256=3b9PeT2ROGGEFM_G4EVlDQMdP4B3ONp4a0kh1bKyVkI,4003
-TDCRPy-1.8.16.dist-info/LICENCE.md,sha256=ZTpWyGU3qv_iwEpgvCijoCuCYpOPpyzJCgOk46WpUKU,1066
-TDCRPy-1.8.16.dist-info/METADATA,sha256=gsWRh4ib9yuqUMqvBvaOOnraTBbMRJ6mQcOoqZgiI9g,15600
-TDCRPy-1.8.16.dist-info/WHEEL,sha256=GJ7t_kWBFywbagK5eo9IoUwLW6oyOeTKmQ-9iHFVNxQ,92
-TDCRPy-1.8.16.dist-info/top_level.txt,sha256=f4vzFFcKSEnonAACs0ZXuRczmroLLqtPTqXFymU_VU0,14
-TDCRPy-1.8.16.dist-info/RECORD,,
+tdcrpy/test/test_tdcrpy.py,sha256=MTMiE0N7RiyE8Rom2Yu8kCDR03pJga9D6_o7wr7leVA,4675
+TDCRPy-1.9.0.dist-info/LICENCE.md,sha256=ZTpWyGU3qv_iwEpgvCijoCuCYpOPpyzJCgOk46WpUKU,1066
+TDCRPy-1.9.0.dist-info/METADATA,sha256=9EclWWZsFjnCopuEJDOI2yuJHFwR8-B-m9M67mWpI-4,15995
+TDCRPy-1.9.0.dist-info/WHEEL,sha256=GJ7t_kWBFywbagK5eo9IoUwLW6oyOeTKmQ-9iHFVNxQ,92
+TDCRPy-1.9.0.dist-info/top_level.txt,sha256=f4vzFFcKSEnonAACs0ZXuRczmroLLqtPTqXFymU_VU0,14
+TDCRPy-1.9.0.dist-info/RECORD,,

tdcrpy/TDCRPy.py

@@ -10,8 +10,6 @@ Bureau International des Poids et Mesures
 
 ## IMPORT PYTHON MODULES
 import tdcrpy.TDCR_model_lib as tl
-# import TDCR_model_lib as tl
-# import tdcrpy.TDCR_model_lib as tl
 import importlib.resources
 from importlib.resources import files
 import configparser
@@ -83,7 +81,7 @@ def relaxAtom(daughter_relax,particle_vec,energy_vec,rad,Display=False,uncData=F
                 relaxation = False
     return particle_vec, energy_vec
 
-def TDCRPy(L, TD, TAB, TBC, TAC, Rad, pmf_1, N, kB, V, mode, mode2, Display=False, barp=False,uncData=False):
+def TDCRPy(L, TD, TAB, TBC, TAC, Rad, pmf_1, N, kB, V, mode, mode2, Display=False, barp=False, Smodel=True, uncData=False):
     """
     This is the main function of the TDCRPy package running the Monte-Carlo Triple-to-Double Coincidence Ratio model.
     The computation is made for a given solution containing a radionuclide (or a mixture of radionuclides), a given volume of scintillator V and a given Birks constant kB. 
@@ -142,6 +140,8 @@ def TDCRPy(L, TD, TAB, TBC, TAC, Rad, pmf_1, N, kB, V, mode, mode2, Display=Fals
         "True" to display details on the decay sampling. The default is False.
     barp : Boolean, optional
         "True" to display the calculation progress. The default is True.
+    Smodel : Boolean, optional
+        "True" to run the stochastic TDCR model. False to run the analytical caclulation (available only for pure beta emitters).
     
     Returns
     -------
@@ -166,17 +166,10 @@ def TDCRPy(L, TD, TAB, TBC, TAC, Rad, pmf_1, N, kB, V, mode, mode2, Display=Fals
         file_conf = data_path       
     config.read(file_conf)
     tau=config["Inputs"].getfloat("tau")
-    Y=config["Inputs"].getboolean("Y")
     micCorr=config["Inputs"].getboolean("micCorr")
-    radListPureBeta=config["Inputs"].get("radListPureBeta")
-    radListPureBeta=radListPureBeta.replace(" ","")
-    radListPureBeta=radListPureBeta.split(',')
-    X = Rad in radListPureBeta
-    if X:
-        nElist=config["Inputs"].get("nE")
-        nElist=nElist.split(',')
-        nElist = [int(i) for i in nElist]
-    if X and Y:
+    radListPureBeta = ["H-3", "C-14", "S-35", "Ca-45", "Ni-63", "Sr-89", "Sr-90", "Tc-99", "Pm-147", "Pu-241"]
+    if (Rad in radListPureBeta) and (not Smodel):
+        nElist = [7000, 1000, 1000, 500, 2000, 500, 200, 500, 1000, 7000] # discretization
         inE = radListPureBeta.index(Rad)
         nE = nElist[inE]
         print(f"Analytical model used for {Rad}")
@@ -185,6 +178,8 @@ def TDCRPy(L, TD, TAB, TBC, TAC, Rad, pmf_1, N, kB, V, mode, mode2, Display=Fals
             return out
         if mode == "eff":
             return out[0], 0, out[1], 0, out[2], 0
+    elif (not Smodel) and (not Rad in radListPureBeta):
+        print("cannot be processed by the analytical model.")
     else:
         nE_electron = config["Inputs"].getint("nE_electron")
         nE_alpha = config["Inputs"].getint("nE_alpha")
@@ -830,16 +825,17 @@ def TDCRPy(L, TD, TAB, TBC, TAC, Rad, pmf_1, N, kB, V, mode, mode2, Display=Fals
 # TAB = 0.992232838598821
 # TBC = 0.992343419459002
 # TAC = 0.99275350064608
-# Rad="Fe-55"
+# Rad="H-3"
 # pmf_1="1"
-# N = 10
+# N = 100
 # kB =1.0e-5
 # V = 10
 # mode = "eff"
 # mode2 = "sym"
 
-# out = TDCRPy(L, TD, TAB, TBC, TAC, Rad, pmf_1, N, kB, V, mode, mode2, Display=True, barp=False,uncData=False)
+# out = TDCRPy(L, TD, TAB, TBC, TAC, Rad, pmf_1, N, kB, V, mode, mode2, Display=False, barp=False, Smodel=False, uncData=False)
 
+# print(out)
 
 # L = 1
 # TD = 0.977667386529166

tdcrpy/TDCR_model_lib.py

@@ -2385,7 +2385,7 @@ def modelAnalytical(L,TD,TAB,TBC,TAC,rad,kB,V,mode,mode2,ne):
     for i, ei in enumerate(e):
         # ed = energie_dep_beta2(ei,V)
         # em[i] = E_quench_e(ei*1e3,ed*1e3,kB*1e3,ne)*1e-3
-        em[i] = Em_e(ei*1e3,ed*1e3,kB*1e3,ne)*1e-3
+        em[i] = Em_e(ei*1e3,ei*1e3,kB*1e3,ne)*1e-3
         
         
     if mode2=="sym":

tdcrpy/config.toml

@@ -1,16 +1,7 @@
 ## This is the configuration file of the TDCRPy code
 
 [Inputs]
-## CASE OF PURE BETA PARTICLE EMITTING RADIONUCLIDES
-# Analytical model for pure beta emitting radionuclides (True or False)
-Y = True
-# List of radionuclides for which the analytical model is applied
-radListPureBeta = H-3, C-14, S-35, Ca-45, Ni-63, Sr-89, Sr-90, Tc-99, Pm-147, Pu-241
-# Number of bins to discretize the linear energy space for quenching calculation
-# and achieve a relative standard uncertainty below 1e-4.
-nE = 7000, 1000, 1000, 500, 2000, 500, 200, 500, 1000, 7000
-
-## OTHER CASES
+## QUENCHING
 # Number of bins to discretize the linear energy space for quenching calculation
 # to achieve a relative standard uncertainty below 1e-4 on the estimated quenched energy: nE_electron = nE_alpha = 10000
 # to achieve a relative standard uncertainty below 1e-3 on the estimated quenched energy: nE_electron = nE_alpha = 1000

tdcrpy/test/test_tdcrpy.py

@@ -43,8 +43,12 @@ class TestMyModule(unittest.TestCase):
         
     def test_readBetaShape(self):
         result = np.mean(tdcrpy.TDCR_model_lib.readBetaShape("H-3","beta-","tot"))
-        self.assertEqual(result, 4.661876602564102)
-        
+        self.assertEqual(result, 4.661922025723472)
+    
+    def test_readBetaSpectra(self):
+        result = np.mean(tdcrpy.TDCR_model_lib.readBetaSpectra("H-3"))
+        self.assertEqual(result, 4.6155)
+    
     def test_E_quench_e(self):
         result = np.mean(tdcrpy.TDCR_model_lib.E_quench_e(100*1e3,100*1e3,0.01,20000)*1e-3)
         self.assertEqual(result, 91.24694728992633)
@@ -55,54 +59,71 @@ class TestMyModule(unittest.TestCase):
         
     def test_E_quench_a(self):
         result = np.mean(tdcrpy.TDCR_model_lib.E_quench_a(5000,1e-5,20000))
-        self.assertEqual(result, 344.0835545240962)
+        self.assertEqual(result, 344.28633759073443)
+    
+    # run_interpolate tested inside Em_a() and Em_e()
+    
+    def test_Em_a(self):
+        result = tdcrpy.TDCR_model_lib.Em_a(5000, 1e-5, 10000)
+        self.assertLessEqual(result, 344.12105896)
+    
+    def test_Em_e(self):
+        result = tdcrpy.TDCR_model_lib.Em_e(50000, 50000, 1e-5, 10000)
+        self.assertLessEqual(result, 48568.14392205286)
+        
+    def test_Em_e2(self):
+        result = tdcrpy.TDCR_model_lib.Em_e(50000, 25000, 1e-5, 10000)
+        self.assertLessEqual(result, 25000.754895953367)        
+        
+    def test_micelleLoss(self):
+        result = tdcrpy.TDCR_model_lib.micelleLoss(5)
+        self.assertLessEqual(result, 0.9)             
+
+    def test_micelleLoss2(self):
+        result = tdcrpy.TDCR_model_lib.micelleLoss(0.2)
+        self.assertLessEqual(result, 0.86)         
         
     def test_read_matrice(self):
         result = tdcrpy.TDCR_model_lib.read_matrice(fp1,0)[50][50]
         self.assertEqual(result, 0.000718)
-        
+    
+    # energie_dep_gamma() no more used.
+    
     def test_energie_dep_gamma(self):
-        result = tdcrpy.TDCR_model_lib.energie_dep_gamma(100,10)
+        result = tdcrpy.TDCR_model_lib.energie_dep_gamma2(100,10)
         self.assertLessEqual(result, 100)
-        
-    # def test_energie_dep_gamma2(self):
-    #     result = tdcrpy.TDCR_model_lib.energie_dep_gamma2(100,13)
-    #     self.assertLessEqual(result, 100)
-
+    
+    # energie_dep_beta() no more used.
+    
     def test_energie_dep_beta(self):
-        result = tdcrpy.TDCR_model_lib.energie_dep_beta(100)
+        result = tdcrpy.TDCR_model_lib.energie_dep_beta2(100,10)
         self.assertLessEqual(result, 100)    
         
-    # def test_energie_dep_beta2(self):
-    #     result = tdcrpy.TDCR_model_lib.energie_dep_beta2(100)
-    #     self.assertLessEqual(result, 100)   
-
-    # writeEffcurves(x,y,uy,rad,p,kB,SDT)
+    # writeEffcurves() no more used.
     
     def test_transf_name(self):
         result = tdcrpy.TDCR_model_lib.transf_name("108Ag")
         self.assertLessEqual(result, "Ag108")
 
-    def test_readEShape(self):
-        result = tdcrpy.TDCR_model_lib.readEShape("Ag-108")
-        self.assertLessEqual(result[0], ['PD108', 'CD108'])
-        self.assertLessEqual(result[1][0], [21.0203, 21.1774, 23.874466666666667, 24.3217, 20.580333333333332, 2.65])
-        self.assertLessEqual(result[2][0], [0.44, 0.84, 0.23, 0.0391, 0.341, 1.97])
-    
-    def test_Em_a(self):
-        result = tdcrpy.TDCR_model_lib.Em_a(5000, 1e-5, 10000)
-        self.assertLessEqual(result, 344.12105896)
+    def test_read_ENSDF(self):
+        result = tdcrpy.TDCR_model_lib.read_ENSDF("Co-60")
+        self.assertLessEqual(result[0][0], 'NI60')
     
-    def test_Em_e(self):
-        result = tdcrpy.TDCR_model_lib.Em_e(50000, 50000, 1e-5, 10000)
-        self.assertLessEqual(result, 48568.14392205286)
+    def test_incer(self):
+        result = tdcrpy.TDCR_model_lib.incer(["0.9", "0.2"],["1", "1"])
+        self.assertLessEqual(result, [[1.0], [1.0]])
         
-    def test_Em_e2(self):
-        result = tdcrpy.TDCR_model_lib.Em_e(50000, 25000, 1e-5, 10000)
-        self.assertLessEqual(result, 25000.754895953367)
+    def test_relaxation_atom(self):
+        result = tdcrpy.TDCR_model_lib.relaxation_atom("NI60","Co-60",lacune="Atom_L")
+        self.assertLessEqual(result, ('Auger L', 0.8))
     
-    
-    # relaxation_atom(daugther,rad,lacune='defaut')
+    def test_format_modif(self):
+        result = tdcrpy.TDCR_model_lib.format_modif("17-3")
+        self.assertLessEqual(result, '17E-3')
+        
+    def test_reperer_energie_index(self):
+        result = tdcrpy.TDCR_model_lib.reperer_energie_index(17,[5,11,13,17,52,64])
+        self.assertLessEqual(result, 3)
     
     # modelAnalytical(L,TD,TAB,TBC,TAC,rad,kB,V,mode,mode2,ne)