beter error handling, to be improved

TRI-AMDD · May 24, 2024 · bd3d5d3 · bd3d5d3
1 parent 9c417c8
commit bd3d5d3
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Showing 2 changed files with 14 additions and 8 deletions.
diff --git a/Param_estim/instructions.py b/Param_estim/instructions.py
@@ -7,30 +7,30 @@ def sim_instructions():
     optimization_method = 'DE'  # 'DE' or 'GD'
 
     ensable_system = [
-            [("Conductivity", "sig_carb_c"), ["2e-4", "0.5e-4"]],
-            # [("Conductivity", "E_sig_carb_c"), ["0.1", "0.4"]],
+            [("Conductivity", "sig_carb_c"), ["3e-4", "1e-4"]],
+            [("Conductivity", "E_sig_carb_c"), ["0.1", "0.3"]],
             # [("Electrodes", "k0_foil"), ["10","50"]],
                     ]
 
     ensable_cathode = [
-            # [("Reactions", "k0"), ["5", "30"]],
+            [("Reactions", "k0"), ["10", "30"]],
                     ]
 
     ensable_anode = []
 
     # Define C-rates and Temperatures
 
     # temps = [298,283,268]  # K
-    temperatures = [298]  # K
+    temperatures = [298, 268]  # K
     # Possible protocols: 'cc', 'pitt', 'gitt'
-    protocols = ['cc']
+    protocols = ['pitt']
     # one list for each protocol and temperature
     # it is important that the order of temperatures and conditions is the same
     c_rates_cc = [[0.5,2]]  # C-rates
     c_rates_gitt = [[1],
                     [1]]  # C-rates
-    cont_volts = [[3.377, 3.351, 3.326],
-                  [3.376,3.352,3.271,3.221]]  # V
+    cont_volts = [[3.376,3.326],
+                  [3.271]]  # V
     # volts at 298 = [3.376, 3.351 ,3.326 ,2.926 ,3.126 ,3.026]
     # volts at 268 = [3.376,3.352,3.271,3.221]
 

diff --git a/Param_estim/objective.py b/Param_estim/objective.py
@@ -133,7 +133,6 @@ def run_mpet(scaled_parameters):
 
                     elif prot == 'pitt':
                         time_tolerance = 3*60 # seconds
-                        print('TIME END SIMULATION: ', tim[-1])
                         if tim[-1] < 1e3-time_tolerance:
                             print('simulation did not finish')
                             print('decreasing time tolerance and running again')
@@ -176,6 +175,13 @@ def obj(parameters):
 
     dict_res = run_mpet(parameters)
     if dict_res == 0.25:
+        with open(os.path.join(save_folder(),"log_book.txt"), 'a') as f:
+            param_rescaled = copy.deepcopy(parameters)
+            scaled_enasmble, scaling_factors = scale(ensamble_tot)
+            params = rescale(param_rescaled, scaling_factors)
+            for par in params:
+                f.write(str(par) + "\t")
+            f.write(str(0.25) + "\n")
         return 0.25
 
     weighted_mse = 0