TDCRPy 1.12.1__py3-none-any.whl → 1.12.4__py3-none-any.whl

{TDCRPy-1.12.1.dist-info → TDCRPy-1.12.4.dist-info}/METADATA

@@ -1,6 +1,6 @@
 Metadata-Version: 2.1
 Name: TDCRPy
-Version: 1.12.1
+Version: 1.12.4
 Summary: TDCR model
 Home-page: https://pypi.org/project/TDCRPy/
 Author: RomainCoulon (Romain Coulon)

{TDCRPy-1.12.1.dist-info → TDCRPy-1.12.4.dist-info}/RECORD

@@ -1,6 +1,6 @@
-tdcrpy/TDCRPy.py,sha256=fbIlt_s2sUkQpz7BqePkBRnN_yruijo1H60YXjcg_GM,53894
+tdcrpy/TDCRPy.py,sha256=-HhkBRjAU04jTMroHgSQ3yfI_IpYTrK35cPo67bV1RI,53904
 tdcrpy/TDCRPy1.py,sha256=QTBZh5B5JWnGB0BQfD-cFmwA9W080OD4sG-aj50-ejo,38106
-tdcrpy/TDCR_model_lib.py,sha256=Nx_ojL8CEIE_LqSYAdvwYQdGFaRKUgTLoJDdF0HYzos,105625
+tdcrpy/TDCR_model_lib.py,sha256=-A76ITMcu9o5_E7yQ-H-MaRNKSYY7FTmXpgFNwY4E28,105935
 tdcrpy/TDCRoptimize.py,sha256=c2XIGveeLdVYYek4Rg6dygMvVA2xIrIkMb3L-_jUucM,6496
 tdcrpy/__init__.py,sha256=vQslGLsoZPIceaitnSHOqN6lUdjEyJ3YhfJ6tYdXt-s,127
 tdcrpy/config.toml,sha256=rHuuM520HZquGrEd8LAVUdvnzZGtk90pigudy-MXnm8,1389
@@ -1081,8 +1081,8 @@ 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-1.12.1.dist-info/LICENCE.md,sha256=ZTpWyGU3qv_iwEpgvCijoCuCYpOPpyzJCgOk46WpUKU,1066
-TDCRPy-1.12.1.dist-info/METADATA,sha256=MrqeK4ie9HmD09bld0k4FMLs4nmqfeYbN5MCVOmkA-8,15832
-TDCRPy-1.12.1.dist-info/WHEEL,sha256=GJ7t_kWBFywbagK5eo9IoUwLW6oyOeTKmQ-9iHFVNxQ,92
-TDCRPy-1.12.1.dist-info/top_level.txt,sha256=f4vzFFcKSEnonAACs0ZXuRczmroLLqtPTqXFymU_VU0,14
-TDCRPy-1.12.1.dist-info/RECORD,,
+TDCRPy-1.12.4.dist-info/LICENCE.md,sha256=ZTpWyGU3qv_iwEpgvCijoCuCYpOPpyzJCgOk46WpUKU,1066
+TDCRPy-1.12.4.dist-info/METADATA,sha256=mzHjhp-6eyqB214_MET93Q1MUlvsaSPr2iLs0Ch2i80,15832
+TDCRPy-1.12.4.dist-info/WHEEL,sha256=GJ7t_kWBFywbagK5eo9IoUwLW6oyOeTKmQ-9iHFVNxQ,92
+TDCRPy-1.12.4.dist-info/top_level.txt,sha256=f4vzFFcKSEnonAACs0ZXuRczmroLLqtPTqXFymU_VU0,14
+TDCRPy-1.12.4.dist-info/RECORD,,

tdcrpy/TDCRPy.py

@@ -334,7 +334,7 @@ def TDCRPy(L, TD, TAB, TBC, TAC, Rad, pmf_1, N, kB, V, mode, mode2, Display=Fals
             while levelOftheDaughter > 0:                                                # Go on the loop while the daughter nucleus is a its fundamental level (energy 0)
                 i_level = levelNumber[index_rad][iDaughter].index([levelOftheDaughter])  # Find the position in the daughter level vector
                 
-                t1 = np.random.exponential(trans_halfLife[index_rad][iDaughter][i_level][0], size=1)[0]
+                t1 = np.random.exponential(trans_halfLife[index_rad][iDaughter][i_level][0]/np.log(2), size=1)[0]
 
                 # test whether the decay occurs within the coincidence resolving time or not
                 if t1 > tau*1e-9: 

tdcrpy/TDCR_model_lib.py

@@ -29,37 +29,43 @@ from tqdm import tqdm
 """
 
 # import advanced configuration data
-
 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")
-depthSpline = config["Inputs"].getint("depthSpline")
-Einterp_a = config["Inputs"].getfloat("Einterp_a")
-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}")
+
+def readParameters(disp=False):
+    global config, file_conf
+    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")
+    depthSpline = config["Inputs"].getint("depthSpline")
+    Einterp_a = config["Inputs"].getfloat("Einterp_a")
+    Einterp_e = config["Inputs"].getfloat("Einterp_e")
+    diam_micelle = config["Inputs"].getfloat("diam_micelle")
+    fAq = config["Inputs"].getfloat("fAq")
+    
+    if disp:
+        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
 
+nE_electron, nE_alpha, RHO, Z, A, depthSpline, Einterp_a, Einterp_e, diam_micelle, fAq, tau = readParameters()
+
 def readConfigAsstr():
     path2config = str(config.read(file_conf)[0])
     with open(path2config, 'r') as file: