#1726 make summary variables an attribute of the model

examples/scripts/experimental_protocols/cccv.py

@@ -8,19 +8,25 @@
 experiment = pybamm.Experiment(
     [
         (
-            "Discharge at C/5 for 10 hours or until 3.3 V",
+            "Discharge at C/5 for 10 hours or until 3.5 V",
             "Rest for 1 hour",
             "Charge at 1 A until 4.1 V",
-            "Hold at 4.1 V until 10 mA",
-            "Rest for 1 hour",
+            # "Hold at 4.1 V until 10 mA",
+            # "Rest for 1 hour",
         ),
     ]
     * 3
 )
-model = pybamm.lithium_ion.DFN()
 
+options = {"working electrode": "positive"}
+model = pybamm.lithium_ion.DFN(options=options)
+chemistry = pybamm.parameter_sets.Xu2019
+param = pybamm.ParameterValues(chemistry=chemistry)
 sim = pybamm.Simulation(
-    model, experiment=experiment, solver=pybamm.CasadiSolver("fast with events")
+    model,
+    experiment=experiment,
+    solver=pybamm.CasadiSolver("fast with events"),
+    parameter_values=param,
 )
 sim.solve()
 

pybamm/models/full_battery_models/base_battery_model.py

@@ -717,6 +717,7 @@ def build_model(self):
 
         pybamm.logger.debug("Setting degradation variables ({})".format(self.name))
         self.set_degradation_variables()
+        self.set_summary_variables()
 
         # Massive hack for consistent delta_phi = phi_s - phi_e with SPMe
         # This needs to be corrected
@@ -741,6 +742,30 @@ def new_empty_copy(self):
         new_model.length_scales = self.length_scales
         return new_model
 
+    @property
+    def summary_variables(self):
+        return self._summary_variables
+
+    @summary_variables.setter
+    def summary_variables(self, value):
+        """
+        Set summary variables
+
+        Parameters
+        ----------
+        value : list of strings
+            Names of the summary variables. Must all be in self.variables.
+        """
+        for var in value:
+            if var not in self.variables:
+                raise KeyError(
+                    f"No cycling variable defined for summary variable '{var}'"
+                )
+        self._summary_variables = value
+
+    def set_summary_variables(self):
+        self._summary_variables = []
+
     def set_external_circuit_submodel(self):
         """
         Define how the external circuit defines the boundary conditions for the model,

pybamm/models/full_battery_models/lithium_ion/base_lithium_ion_model.py

@@ -118,6 +118,44 @@ def set_degradation_variables(self):
             }
         )
 
+    def set_summary_variables(self):
+        """
+        Sets the default summary variables.
+        """
+        summary_variables = [
+            "Positive electrode capacity [A.h]",
+            # LAM, LLI
+            "Loss of active material in positive electrode [%]",
+            "Loss of lithium inventory [%]",
+            "Loss of lithium inventory, including electrolyte [%]",
+            # Total lithium
+            "Total lithium [mol]",
+            "Total lithium in electrolyte [mol]",
+            "Total lithium in positive electrode [mol]",
+            "Total lithium in particles [mol]",
+            # Lithium lost
+            "Total lithium lost [mol]",
+            "Total lithium lost from particles [mol]",
+            "Total lithium lost from electrolyte [mol]",
+            "Loss of lithium to SEI [mol]",
+            "Loss of lithium to lithium plating [mol]",
+            "Loss of capacity to SEI [A.h]",
+            "Loss of capacity to lithium plating [A.h]",
+            "Total lithium lost to side reactions [mol]",
+            "Total capacity lost to side reactions [A.h]",
+            # Resistance
+            "Local ECM resistance [Ohm]",
+        ]
+
+        if not self.half_cell:
+            summary_variables += [
+                "Negative electrode capacity [A.h]",
+                "Loss of active material in negative electrode [%]",
+                "Total lithium in negative electrode [mol]",
+            ]
+
+        self.summary_variables = summary_variables
+
     def set_sei_submodel(self):
         if self.half_cell:
             reaction_loc = "interface"

pybamm/solvers/solution.py

@@ -794,45 +794,28 @@ def make_cycle_solution(step_solutions, esoh_sim=None, save_this_cycle=True):
 
 
 def get_cycle_summary_variables(cycle_solution, esoh_sim):
-    Q = cycle_solution["Discharge capacity [A.h]"].data
-    min_Q = np.min(Q)
-    max_Q = np.max(Q)
-
-    cycle_summary_variables = pybamm.FuzzyDict(
-        {
-            "Minimum measured discharge capacity [A.h]": min_Q,
-            "Maximum measured discharge capacity [A.h]": max_Q,
-            "Measured capacity [A.h]": max_Q - min_Q,
-        }
-    )
+    cycle_summary_variables = {}
+
+    # Measured capacity variables
+    try:
+        Q = cycle_solution["Discharge capacity [A.h]"].data
+    except KeyError:
+        Q = None
+    if Q is not None:
+        min_Q = np.min(Q)
+        max_Q = np.max(Q)
+
+        cycle_summary_variables = pybamm.FuzzyDict(
+            {
+                "Minimum measured discharge capacity [A.h]": min_Q,
+                "Maximum measured discharge capacity [A.h]": max_Q,
+                "Measured capacity [A.h]": max_Q - min_Q,
+            }
+        )
 
-    degradation_variables = [
-        "Negative electrode capacity [A.h]",
-        "Positive electrode capacity [A.h]",
-        # LAM, LLI
-        "Loss of active material in negative electrode [%]",
-        "Loss of active material in positive electrode [%]",
-        "Loss of lithium inventory [%]",
-        "Loss of lithium inventory, including electrolyte [%]",
-        # Total lithium
-        "Total lithium [mol]",
-        "Total lithium in electrolyte [mol]",
-        "Total lithium in positive electrode [mol]",
-        "Total lithium in negative electrode [mol]",
-        "Total lithium in particles [mol]",
-        # Lithium lost
-        "Total lithium lost [mol]",
-        "Total lithium lost from particles [mol]",
-        "Total lithium lost from electrolyte [mol]",
-        "Loss of lithium to SEI [mol]",
-        "Loss of lithium to lithium plating [mol]",
-        "Loss of capacity to SEI [A.h]",
-        "Loss of capacity to lithium plating [A.h]",
-        "Total lithium lost to side reactions [mol]",
-        "Total capacity lost to side reactions [A.h]",
-        # Resistance
-        "Local ECM resistance [Ohm]",
-    ]
+    # Degradation variables
+    model = cycle_solution.all_models[0]
+    degradation_variables = model.summary_variables
     first_state = cycle_solution.first_state
     last_state = cycle_solution.last_state
     for var in degradation_variables:
@@ -844,7 +827,12 @@ def get_cycle_summary_variables(cycle_solution, esoh_sim):
             data_last[0] - data_first[0]
         )
 
-    if esoh_sim is not None:
+    # eSOH variables (full-cell lithium-ion model only, for now)
+    if (
+        esoh_sim is not None
+        and isinstance(model, pybamm.lithium_ion.BaseModel)
+        and model.half_cell is False
+    ):
         V_min = esoh_sim.parameter_values["Lower voltage cut-off [V]"]
         V_max = esoh_sim.parameter_values["Upper voltage cut-off [V]"]
         C_n = last_state["Negative electrode capacity [A.h]"].data[0]
@@ -885,19 +873,16 @@ def get_cycle_summary_variables(cycle_solution, esoh_sim):
             esoh_sim.built_model.set_initial_conditions_from(
                 {"x_100": x_100_init, "C": C_init}
             )
+        inputs = {
+            "V_min": V_min,
+            "V_max": V_max,
+            "C_n": C_n,
+            "C_p": C_p,
+            "n_Li": n_Li,
+        }
 
         try:
-            esoh_sol = esoh_sim.solve(
-                [0],
-                inputs={
-                    "V_min": V_min,
-                    "V_max": V_max,
-                    "C_n": C_n,
-                    "C_p": C_p,
-                    "n_Li": n_Li,
-                },
-                solver=solver,
-            )
+            esoh_sol = esoh_sim.solve([0], inputs=inputs, solver=solver)
         except pybamm.SolverError:  # pragma: no cover
             raise pybamm.SolverError(
                 "Could not solve for summary variables, run "