TDCRPy 1.9.2__py3-none-any.whl → 1.9.3__py3-none-any.whl

{TDCRPy-1.9.2.dist-info → TDCRPy-1.9.3.dist-info}/METADATA

@@ -1,6 +1,6 @@
 Metadata-Version: 2.1
 Name: TDCRPy
-Version: 1.9.2
+Version: 1.9.3
 Summary: TDCR model
 Home-page: https://pypi.org/project/TDCRPy/
 Author: RomainCoulon (Romain Coulon)

{TDCRPy-1.9.2.dist-info → TDCRPy-1.9.3.dist-info}/RECORD

@@ -1,6 +1,6 @@
-tdcrpy/TDCRPy.py,sha256=8oIQkZDQX16Ztq9AOOr_TI76X6-J1gr5o070ssJ2aYk,53605
+tdcrpy/TDCRPy.py,sha256=qYl8BEI2lLm2oPGrnrxiFya7Y_aQU6dtyutUYHay4Yc,53858
 tdcrpy/TDCRPy1.py,sha256=QTBZh5B5JWnGB0BQfD-cFmwA9W080OD4sG-aj50-ejo,38106
-tdcrpy/TDCR_model_lib.py,sha256=vo44F7QZMsSEYQL_eVx-ZghLRKlWLNXka-3xZdvviWA,98155
+tdcrpy/TDCR_model_lib.py,sha256=e6m0JffgdB8i3cXMpLY8CxRGIpQaBN6zi-woSUqsjR4,101191
 tdcrpy/TDCRoptimize.py,sha256=c2XIGveeLdVYYek4Rg6dygMvVA2xIrIkMb3L-_jUucM,6496
 tdcrpy/__init__.py,sha256=vQslGLsoZPIceaitnSHOqN6lUdjEyJ3YhfJ6tYdXt-s,127
 tdcrpy/config.toml,sha256=rHuuM520HZquGrEd8LAVUdvnzZGtk90pigudy-MXnm8,1389
@@ -1080,8 +1080,8 @@ 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=MTMiE0N7RiyE8Rom2Yu8kCDR03pJga9D6_o7wr7leVA,4675
-TDCRPy-1.9.2.dist-info/LICENCE.md,sha256=ZTpWyGU3qv_iwEpgvCijoCuCYpOPpyzJCgOk46WpUKU,1066
-TDCRPy-1.9.2.dist-info/METADATA,sha256=azC14kxwlrAAQ0AC7D2dC7EHwJbFj6GeSyFaHOSnVvw,15995
-TDCRPy-1.9.2.dist-info/WHEEL,sha256=GJ7t_kWBFywbagK5eo9IoUwLW6oyOeTKmQ-9iHFVNxQ,92
-TDCRPy-1.9.2.dist-info/top_level.txt,sha256=f4vzFFcKSEnonAACs0ZXuRczmroLLqtPTqXFymU_VU0,14
-TDCRPy-1.9.2.dist-info/RECORD,,
+TDCRPy-1.9.3.dist-info/LICENCE.md,sha256=ZTpWyGU3qv_iwEpgvCijoCuCYpOPpyzJCgOk46WpUKU,1066
+TDCRPy-1.9.3.dist-info/METADATA,sha256=tY2NTgc37inragqtOLmf1lvwoM_z3eCp81XqB3SNyzE,15995
+TDCRPy-1.9.3.dist-info/WHEEL,sha256=GJ7t_kWBFywbagK5eo9IoUwLW6oyOeTKmQ-9iHFVNxQ,92
+TDCRPy-1.9.3.dist-info/top_level.txt,sha256=f4vzFFcKSEnonAACs0ZXuRczmroLLqtPTqXFymU_VU0,14
+TDCRPy-1.9.3.dist-info/RECORD,,

tdcrpy/TDCRPy.py

@@ -180,6 +180,12 @@ def TDCRPy(L, TD, TAB, TBC, TAC, Rad, pmf_1, N, kB, V, mode, mode2, Display=Fals
             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.")
+        # print(f"Analytical model used for {Rad}")
+        out=tl.modelAnalytical(L,TD,TAB,TBC,TAC,Rad,kB,V,mode,mode2,10000)
+        if mode == "res":
+            return out
+        if mode == "eff":
+            return out[0], 0, out[1], 0, out[2], 0
     else:
         nE_electron = config["Inputs"].getint("nE_electron")
         nE_alpha = config["Inputs"].getint("nE_alpha")

tdcrpy/TDCR_model_lib.py

@@ -23,6 +23,7 @@ import re
 import os
 import scipy.interpolate as  interp
 import matplotlib.pyplot as plt
+import toml
 
 """
 ======= Import ressource data =======
@@ -34,6 +35,10 @@ config = configparser.ConfigParser()
 with importlib.resources.as_file(files('tdcrpy').joinpath('config.toml')) as data_path:
     file_conf = data_path       
 config.read(file_conf)
+
+nE_electron = config["Inputs"].getint("nE_electron")
+nE_alpha = config["Inputs"].getint("nE_alpha")
+tau = config["Inputs"].getint("tau")
 RHO = config["Inputs"].getfloat("density")
 Z = config["Inputs"].getfloat("Z")
 A = config["Inputs"].getfloat("A")
@@ -43,6 +48,96 @@ Einterp_e = config["Inputs"].getfloat("Einterp_e")
 diam_micelle = config["Inputs"].getfloat("diam_micelle")
 fAq = config["Inputs"].getfloat("fAq")
 
+def readParameters():
+    print(f"number of integration bins for electrons = {nE_electron}")
+    print(f"number of integration bins for alpha = {nE_alpha}")
+    print(f"density = {RHO} g/cm3")
+    print(f"Z = {Z}")
+    print(f"A = {A}")
+    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")
+    print(f"diameter of micelle = {diam_micelle} nm")
+    print(f"acqueous fraction = {fAq}")
+    return nE_electron, nE_alpha, RHO, Z, A, depthSpline, Einterp_a, Einterp_e, diam_micelle, fAq, tau
+
+def readConfigAsstr():
+    path2config = str(config.read(file_conf)[0])
+    with open(path2config, 'r') as file:
+        data0 = file.read()
+    return data0
+
+def writeConfifAsstr(data):
+    path2config = str(config.read(file_conf)[0])
+    with open(path2config, 'w') as file:
+        file.write(data)    
+
+def modifynE_electron(x):
+    data0 = readConfigAsstr()
+    x0 = readParameters()[0]
+    data1 = data0.replace(f"nE_electron = {x0}",f"nE_electron = {x}")
+    writeConfifAsstr(data1)
+
+def modifynE_alpha(x):
+    data0 = readConfigAsstr()
+    x0 = readParameters()[1]
+    data1 = data0.replace(f"nE_alpha = {x0}",f"nE_alpha = {x}")
+    writeConfifAsstr(data1)
+
+def modifyDensity(x):
+    data0 = readConfigAsstr()
+    x0 = readParameters()[2]
+    data1 = data0.replace(f"density = {x0}",f"density = {x}")
+    writeConfifAsstr(data1)
+
+def modifyZ(x):
+    data0 = readConfigAsstr()
+    x0 = readParameters()[3]
+    data1 = data0.replace(f"Z = {x0}",f"Z = {x}")
+    writeConfifAsstr(data1)
+    
+def modifyA(x):
+    data0 = readConfigAsstr()
+    x0 = readParameters()[4]
+    data1 = data0.replace(f"A = {x0}",f"A = {x}")
+    writeConfifAsstr(data1)
+
+def modifyDepthSpline(x):
+    data0 = readConfigAsstr()
+    x0 = readParameters()[5]
+    data1 = data0.replace(f"depthSpline = {x0}",f"depthSpline = {x}")
+    writeConfifAsstr(data1)
+
+def modifyEinterp_a(x):
+    data0 = readConfigAsstr()
+    x0 = readParameters()[6]
+    data1 = data0.replace(f"Einterp_a = {int(x0)}",f"Einterp_a = {int(x)}")
+    writeConfifAsstr(data1)
+
+def modifyEinterp_e(x):
+    data0 = readConfigAsstr()
+    x0 = readParameters()[7]
+    data1 = data0.replace(f"Einterp_e = {x0}",f"Einterp_e = {x}")
+    writeConfifAsstr(data1)
+
+def modifyDiam_micelle(x):
+    data0 = readConfigAsstr()
+    x0 = readParameters()[8]
+    data1 = data0.replace(f"diam_micelle = {int(x0)}",f"diam_micelle = {int(x)}")
+    writeConfifAsstr(data1)    
+
+def modifyfAq(x):
+    data0 = readConfigAsstr()
+    x0 = readParameters()[9]
+    data1 = data0.replace(f"fAq = {x0}",f"fAq = {x}")
+    writeConfifAsstr(data1)
+
+def modifyTau(x):
+    data0 = readConfigAsstr()
+    x0 = readParameters()[10]
+    data1 = data0.replace(f"tau = {x0}",f"tau = {x}")
+    writeConfifAsstr(data1)
+
 # import PenNuc data
 with importlib.resources.as_file(files('tdcrpy').joinpath('decayData')) as data_path:
 #with importlib.resources.path('tdcrpy', 'decayData') as data_path: