TDCRPy 2.0.8__py3-none-any.whl → 2.1.0__py3-none-any.whl

{TDCRPy-2.0.8.dist-info → TDCRPy-2.1.0.dist-info}/METADATA

@@ -1,6 +1,6 @@
 Metadata-Version: 2.1
 Name: TDCRPy
-Version: 2.0.8
+Version: 2.1.0
 Summary: TDCR model
 Home-page: https://pypi.org/project/TDCRPy/
 Author: RomainCoulon (Romain Coulon)

{TDCRPy-2.0.8.dist-info → TDCRPy-2.1.0.dist-info}/RECORD

@@ -1,6 +1,6 @@
-tdcrpy/TDCRPy.py,sha256=WRH8ASoJSEXAl3Vw0t01DZelIJ4Kguu97nEriHuLq-g,64862
+tdcrpy/TDCRPy.py,sha256=34goCOwLLVcy0DTICESqp3HKDpBZb4KIKButqvJVtnk,64726
 tdcrpy/TDCRPy1.py,sha256=QTBZh5B5JWnGB0BQfD-cFmwA9W080OD4sG-aj50-ejo,38106
-tdcrpy/TDCR_model_lib.py,sha256=ehV5I7vRxnxq75KWVjE9NahA0-1VL54eMnTjbH5Q8l8,126576
+tdcrpy/TDCR_model_lib.py,sha256=o7pMbr8IsnfzC4RIDRaZjQ_CY65HmcVSBEgPHLxNWRI,126529
 tdcrpy/TDCRoptimize.py,sha256=c2XIGveeLdVYYek4Rg6dygMvVA2xIrIkMb3L-_jUucM,6496
 tdcrpy/__init__.py,sha256=9Djir8dPNchcJVQvhl-oRHEOsoDkiZlkOhWT-eHR7wQ,95
 tdcrpy/config.toml,sha256=d_olKEgxfobBHkZ2wEj9EgKE7I8Wbpim9ZAsi5ImFxk,1470
@@ -74,8 +74,8 @@ tdcrpy/docs/_build/html/source/modules.html,sha256=Jf-qxVBId0UgpwyvYuyjtMNG-ezPO
 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=JINqSEMFoNpptE4f3h6ZzTYW1rBx90KkaoQzltSg-No,4692
-TDCRPy-2.0.8.dist-info/LICENCE.md,sha256=ZTpWyGU3qv_iwEpgvCijoCuCYpOPpyzJCgOk46WpUKU,1066
-TDCRPy-2.0.8.dist-info/METADATA,sha256=3s-vedXlkbySOPoSmYAwZii7dKe_Tfmw7WG_1Wcnx4A,45040
-TDCRPy-2.0.8.dist-info/WHEEL,sha256=cVxcB9AmuTcXqmwrtPhNK88dr7IR_b6qagTj0UvIEbY,91
-TDCRPy-2.0.8.dist-info/top_level.txt,sha256=f4vzFFcKSEnonAACs0ZXuRczmroLLqtPTqXFymU_VU0,14
-TDCRPy-2.0.8.dist-info/RECORD,,
+TDCRPy-2.1.0.dist-info/LICENCE.md,sha256=ZTpWyGU3qv_iwEpgvCijoCuCYpOPpyzJCgOk46WpUKU,1066
+TDCRPy-2.1.0.dist-info/METADATA,sha256=aiKaQFl6lEJSMI_owXP9BZbi-EakzAsjEJqycj6rXG0,45040
+TDCRPy-2.1.0.dist-info/WHEEL,sha256=PZUExdf71Ui_so67QXpySuHtCi3-J3wvF4ORK6k_S8U,91
+TDCRPy-2.1.0.dist-info/top_level.txt,sha256=f4vzFFcKSEnonAACs0ZXuRczmroLLqtPTqXFymU_VU0,14
+TDCRPy-2.1.0.dist-info/RECORD,,

{TDCRPy-2.0.8.dist-info → TDCRPy-2.1.0.dist-info}/WHEEL

@@ -1,5 +1,5 @@
 Wheel-Version: 1.0
-Generator: setuptools (74.1.2)
+Generator: setuptools (75.6.0)
 Root-Is-Purelib: true
 Tag: py3-none-any
 

tdcrpy/TDCRPy.py

@@ -1129,98 +1129,100 @@ def eff(TD, Rad, pmf_1, kB, V, N=10000, L=1, maxiter=20, xatol=1e-7, disp=False)
     return L0, L, eff_S, u_eff_S, eff_D, u_eff_D, eff_T, u_eff_T, eff_AB, u_eff_AB, eff_BC, u_eff_BC, eff_AC, u_eff_AC, eff_D2, u_eff_D2
 
 
-# def effA(TD, Rad, pmf_1, kB, V, L=1, maxiter=20, xatol=1e-7, disp=False):
-#     """
-#     Caclulation of the efficiency of a TDCR system based on the model TDCRPy (analytical model).
-#     This function includes optimization procedures from scipy.
+def effA(TD, Rad, pmf_1, kB, V, L=1, maxiter=20, xatol=1e-7, disp=False):
+    """
+    Caclulation of the efficiency of a TDCR system based on the model TDCRPy (analytical model).
+    This function includes optimization procedures from scipy.
 
-#     Parameters
-#     ----------
-#     TD : float or tuple
-#         measurements. If TD is float, then TD is the measured TDCR parameter. If TD is tuple, then TD must contain the global TDCR parameter followed by specific ones (T/B, T/AB, T/BC, T/AC)
-#     Rad : string
-#         List of radionuclides (eg. "H-3, Co-60").
-#     pmf_1 : string
-#         list of probability of each radionuclide (eg. "0.8, 0.2").
-#     kB : float
-#         Birks constant in cm/keV.
-#     V : float
-#         volume of the scintillator in ml.
-#     maxiter : interger, optional
-#         maximum number of iterations of the optimization procedures
-#     xatol : float
-#         convergence parameter of the Nelder Mead optimisation
-#     disp : Boolean
-#         to display detailed results of the procedure. Default is False.
+    Parameters
+    ----------
+    TD : float or tuple
+        measurements. If TD is float, then TD is the measured TDCR parameter. If TD is tuple, then TD must contain the global TDCR parameter followed by specific ones (T/B, T/AB, T/BC, T/AC)
+    Rad : string
+        List of radionuclides (eg. "H-3, Co-60").
+    pmf_1 : string
+        list of probability of each radionuclide (eg. "0.8, 0.2").
+    kB : float
+        Birks constant in cm/keV.
+    V : float
+        volume of the scintillator in ml.
+    maxiter : interger, optional
+        maximum number of iterations of the optimization procedures
+    xatol : float
+        convergence parameter of the Nelder Mead optimisation
+    disp : Boolean
+        to display detailed results of the procedure. Default is False.
 
-#     Returns
-#     -------
-#     L0 : float
-#         global free parameter.
-#     L : tuple
-#         free parameters (relevant for the asymetric model).
-#     eff_S : float
-#         counting efficiency of single events.
-#     u_eff_S : float
-#         standard uncertainty of eff_S.
-#     eff_D : float
-#         counting efficiency of double coincidences.
-#     u_eff_D : float
-#         standard uncertainty of eff_D.
-#     eff_T : float
-#         counting efficiency of triple coincidences.
-#     u_eff_T : float
-#         standard uncertainty of eff_T.
-#     eff_AB : float
-#         counting efficiency of coincidences AB.
-#     u_eff_AB : float
-#         standard uncertainty of eff_AB.
-#     eff_BC : float
-#         counting efficiency of coincidences BC.
-#     u_eff_BC : float
-#         standard uncertainty of eff_BC.
-#     eff_AC : float
-#         counting efficiency of coincidences AC.
-#     u_eff_AC : float
-#         standard uncertainty of eff_AC.    
-#     eff_D : float
-#         counting efficiency of double coincidences in C/N configuation (not relevant).
-#     u_eff_D : float
-#         standard uncertainty of eff_D in C/N configuation (not relevant).
+    Returns
+    -------
+    L0 : float
+        global free parameter.
+    L : tuple
+        free parameters (relevant for the asymetric model).
+    eff_S : float
+        counting efficiency of single events.
+    u_eff_S : float
+        standard uncertainty of eff_S.
+    eff_D : float
+        counting efficiency of double coincidences.
+    u_eff_D : float
+        standard uncertainty of eff_D.
+    eff_T : float
+        counting efficiency of triple coincidences.
+    u_eff_T : float
+        standard uncertainty of eff_T.
+    eff_AB : float
+        counting efficiency of coincidences AB.
+    u_eff_AB : float
+        standard uncertainty of eff_AB.
+    eff_BC : float
+        counting efficiency of coincidences BC.
+    u_eff_BC : float
+        standard uncertainty of eff_BC.
+    eff_AC : float
+        counting efficiency of coincidences AC.
+    u_eff_AC : float
+        standard uncertainty of eff_AC.    
+    eff_D : float
+        counting efficiency of double coincidences in C/N configuation (not relevant).
+    u_eff_D : float
+        standard uncertainty of eff_D in C/N configuation (not relevant).
 
-#     """
-#     if isinstance(TD, (tuple, list)):
-#         symm = False
-#     else:
-#         symm = True
+    """
+    if isinstance(TD, (tuple, list)):
+        symm = False
+    else:
+        symm = True
 
-#     if symm: r=opt.minimize_scalar(tl.modelAnalytical, args=(TD, TD, TD, TD, Rad, kB, V, "res", True, 1e3), method='bounded', bounds = (0.1, 5), options={'disp': disp, 'maxiter':maxiter})
-#     else: r=opt.minimize_scalar(tl.modelAnalytical, args=(TD[0], TD[1], TD[2], TD[3], Rad, kB, V, "res", True, 1e3), method='bounded', bounds = (0.1, 5), options={'disp': disp, 'maxiter':maxiter})
-#     L0=r.x
-#     L=(L0, L0, L0)
-#     print(f"global free parameter = {L0} keV-1")
+    if symm: r=opt.minimize_scalar(tl.modelAnalytical, args=(TD, TD, TD, TD, Rad, kB, V, "res", 1e3), method='bounded', bounds = (0.1, 5), options={'disp': disp, 'maxiter':maxiter})
+    else: r=opt.minimize_scalar(tl.modelAnalytical, args=(TD[0], TD[1], TD[2], TD[3], Rad, kB, V, "res", 1e3), method='bounded', bounds = (0.1, 5), options={'disp': disp, 'maxiter':maxiter})
+    L0=r.x
+    L=(L0, L0, L0)
+    print(f"global free parameter = {L0} keV-1")
     
-#     if not symm:
-#         r=opt.minimize(tl.modelAnalytical, L, args=(TD[0], TD[1], TD[2], TD[3], Rad, kB, V, "res", True, 1e3), method='nelder-mead',options={'xatol': xatol, 'disp': disp, 'maxiter':maxiter})
-#         L=r.x
-#         print(f"free parameters = {L} keV-1")   
+    if not symm:
+        r=opt.minimize(tl.modelAnalytical, L, args=(TD[0], TD[1], TD[2], TD[3], Rad, kB, V, "res", 1e3), method='nelder-mead',options={'xatol': xatol, 'disp': disp, 'maxiter':maxiter})
+        L=r.x
+        print(f"free parameters = {L} keV-1")   
 
-#     if symm: out=tl.modelAnalytical(L, TD, TD, TD, TD, Rad, kB, V, "eff", True, 1e3)
-#     else: out=tl.modelAnalytical(L, TD[0], TD[1], TD[2], TD[3], Rad, kB, V, "eff", True, 1e3)
-#     eff_S = out[0]
-#     u_eff_S = out[1]
-#     eff_D = out[2]
-#     u_eff_D = out[3]
-#     eff_T = out[4]
-#     u_eff_T = out[5]
-#     eff_AB = out[6]
-#     u_eff_AB = out[7]
-#     eff_BC = out[8]
-#     u_eff_BC = out[9]
-#     eff_AC = out[10]
-#     u_eff_AC = out[11]
+    if symm: out=tl.modelAnalytical(L, TD, TD, TD, TD, Rad, kB, V, "eff", 1e3)
+    else: out=tl.modelAnalytical(L, TD[0], TD[1], TD[2], TD[3], Rad, kB, V, "eff", 1e3)
+    eff_S = out[0]
+    eff_D = out[1]
+    eff_T = out[2]
+    # u_eff_S = out[1]
+    # eff_D = out[2]
+    # u_eff_D = out[3]
+    # eff_T = out[4]
+    # u_eff_T = out[5]
+    # eff_AB = out[6]
+    # u_eff_AB = out[7]
+    # eff_BC = out[8]
+    # u_eff_BC = out[9]
+    # eff_AC = out[10]
+    # u_eff_AC = out[11]
     
-#     return L0, L, eff_S, u_eff_S, eff_D, u_eff_D, eff_T, u_eff_T, eff_AB, u_eff_AB, eff_BC, u_eff_BC, eff_AC, u_eff_AC
+    return L0, L, eff_S, eff_D, eff_T #, u_eff_T, eff_AB, u_eff_AB, eff_BC, u_eff_BC, eff_AC, u_eff_AC, u_eff_S, u_eff_D, 
 
 
 

tdcrpy/TDCR_model_lib.py

@@ -132,7 +132,7 @@ 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"pC = {x0[1]:.6f}",f"pC = {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}") #
@@ -1277,7 +1277,7 @@ def Em_e(Ei, Ed, kB, nE, Et = Einterp_e*1e3, kB_vec = kB_e):
     """    
     if Ed <= Et or Ei != Ed:
         # run the accurate quenching model
-        r = E_quench_e(Ei,Ed,kB,nE)
+        r = E_quench_e(Ei,Ed,kB,int(nE))
     else:
         # run interpolation
         r = run_interpolate(kB_vec, kB , Ei_electron, Em_electron, Ed)
@@ -2648,7 +2648,7 @@ def relaxation_atom_ph(lacune,element,v):
 
 
 
-def modelAnalytical(L,TD,TAB,TBC,TAC,rad,kB,V,mode,symm,ne):
+def modelAnalytical(L,TD,TAB,TBC,TAC,rad,kB,V,mode,ne):
     """
     TDCR analytical model that is used for pure beta emitting radionuclides
     
@@ -2672,8 +2672,6 @@ def modelAnalytical(L,TD,TAB,TBC,TAC,rad,kB,V,mode,symm,ne):
         volume of the scintillator in ml. run only for 10 ml
     mode : string
         "res" to return the residual, "eff" to return efficiencies.
-    symm : boolean
-        "True" for symetrical model, "False" for symetrical model.
     nE : integer
          Number of bins for the quenching function.
     
@@ -2699,7 +2697,7 @@ def modelAnalytical(L,TD,TAB,TBC,TAC,rad,kB,V,mode,symm,ne):
         em[i] = Em_e(ei*1e3,ei*1e3,kB*1e3,ne)*1e-3
         
         
-    if symm:
+    if type(L)==float or isinstance(L, np.float64):
         eff_S = sum(p*(1-np.exp(-L*em/3)))
         eff_T = sum(p*(1-np.exp(-L*em/3))**3)
         eff_D = sum(p*(3*(1-np.exp(-L*em/3))**2-2*(1-np.exp(-L*em/3))**3))