Summary variables calculated only when called (pybamm-team#4621)

* Create & use SummaryVariables class * Stop looping back to recalculate eSOH vars * tests pass * Cleanup SummaryVariables class * Add SummaryVariables to API docs * style: pre-commit fixes * rename solution.set_summary_variables to update_summary_variables * Add typing, move some stuff around * edit typing * Pass through calc_esoh when creating SummaryVariables with sub-cycles * Add tests * Document 'cycle_number' * Update changelog --------- Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com> Co-authored-by: Eric G. Kratz <[email protected]>
mbonkile · Dec 19, 2024 · 735ffbd · 735ffbd
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diff --git a/CHANGELOG.md b/CHANGELOG.md
@@ -8,6 +8,7 @@
 
 ## Breaking changes
 
+- Summary variables now calculated only when called, accessed via a class in the same manner as other variables rather than a dictionary. ([#4621](https://github.com/pybamm-team/PyBaMM/pull/4621))
 - The conda distribution (`pybamm`) now installs all optional dependencies available on conda-forge. Use the new `pybamm-base` conda
 package to install PyBaMM with only the required dependencies. ([conda-forge/pybamm-feedstock#70](https://github.com/conda-forge/pybamm-feedstock/pull/70))
 - Separated extrapolation options for `pybamm.BoundaryValue` and `pybamm.BoundaryGradient`, and updated the default to be "linear" for the value and "quadratic" for the gradient. ([#4614](https://github.com/pybamm-team/PyBaMM/pull/4614))

diff --git a/docs/source/api/solvers/index.rst b/docs/source/api/solvers/index.rst
@@ -13,3 +13,4 @@ Solvers
   algebraic_solvers
   solution
   processed_variable
+  summary_variables
diff --git a/docs/source/api/solvers/summary_variables.rst b/docs/source/api/solvers/summary_variables.rst
@@ -0,0 +1,5 @@
+Summary Variables
+======================
+
+.. autoclass:: pybamm.SummaryVariables
+  :members:
diff --git a/docs/source/examples/notebooks/simulations_and_experiments/simulating-long-experiments.ipynb b/docs/source/examples/notebooks/simulations_and_experiments/simulating-long-experiments.ipynb
@@ -541,7 +541,7 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 7,
+   "execution_count": null,
    "id": "right-skiing",
    "metadata": {},
    "outputs": [
@@ -638,7 +638,7 @@
     }
    ],
    "source": [
-    "sorted(sol.summary_variables.keys())"
+    "sorted(sol.summary_variables.all_variables)"
    ]
   },
   {
@@ -1936,7 +1936,7 @@
  ],
  "metadata": {
   "kernelspec": {
-   "display_name": "Python 3 (ipykernel)",
+   "display_name": "venv",
    "language": "python",
    "name": "python3"
   },
@@ -1950,7 +1950,7 @@
    "name": "python",
    "nbconvert_exporter": "python",
    "pygments_lexer": "ipython3",
-   "version": "3.8.10"
+   "version": "3.11.10"
   },
   "toc": {
    "base_numbering": 1,
@@ -1964,11 +1964,6 @@
    "toc_position": {},
    "toc_section_display": true,
    "toc_window_display": true
-  },
-  "vscode": {
-   "interpreter": {
-    "hash": "612adcc456652826e82b485a1edaef831aa6d5abc680d008e93d513dd8724f14"
-   }
   }
  },
  "nbformat": 4,

diff --git a/src/pybamm/__init__.py b/src/pybamm/__init__.py
@@ -162,6 +162,7 @@
 from .solvers.processed_variable_time_integral import ProcessedVariableTimeIntegral
 from .solvers.processed_variable import ProcessedVariable, process_variable
 from .solvers.processed_variable_computed import ProcessedVariableComputed
+from .solvers.summary_variable import SummaryVariables
 from .solvers.base_solver import BaseSolver
 from .solvers.dummy_solver import DummySolver
 from .solvers.algebraic_solver import AlgebraicSolver

diff --git a/src/pybamm/callbacks.py b/src/pybamm/callbacks.py
@@ -212,7 +212,7 @@ def on_cycle_end(self, logs):
 
         voltage_stop = logs["stopping conditions"]["voltage"]
         if voltage_stop is not None:
-            min_voltage = logs["summary variables"]["Minimum voltage [V]"]
+            min_voltage = logs["Minimum voltage [V]"]
             if min_voltage > voltage_stop[0]:
                 self.logger.notice(
                     f"Minimum voltage is now {min_voltage:.3f} V "

diff --git a/src/pybamm/models/full_battery_models/lithium_ion/electrode_soh.py b/src/pybamm/models/full_battery_models/lithium_ion/electrode_soh.py
@@ -312,6 +312,27 @@ def __init__(
             self.__get_electrode_soh_sims_split
         )
 
+    def __getstate__(self):
+        """
+        Return dictionary of picklable items
+        """
+        result = self.__dict__.copy()
+        result["_get_electrode_soh_sims_full"] = None  # Exclude LRU cache
+        result["_get_electrode_soh_sims_split"] = None  # Exclude LRU cache
+        return result
+
+    def __setstate__(self, state):
+        """
+        Unpickle, restoring unpicklable relationships
+        """
+        self.__dict__ = state
+        self._get_electrode_soh_sims_full = lru_cache()(
+            self.__get_electrode_soh_sims_full
+        )
+        self._get_electrode_soh_sims_split = lru_cache()(
+            self.__get_electrode_soh_sims_split
+        )
+
     def _get_lims_ocp(self):
         parameter_values = self.parameter_values
 

diff --git a/src/pybamm/plotting/plot_summary_variables.py b/src/pybamm/plotting/plot_summary_variables.py
@@ -62,13 +62,13 @@ def plot_summary_variables(
         for solution in solutions:
             # plot summary variable v/s cycle number
             ax.plot(
-                solution.summary_variables["Cycle number"],
+                solution.summary_variables.cycle_number,
                 solution.summary_variables[var],
             )
         # label the axes
         ax.set_xlabel("Cycle number")
         ax.set_ylabel(var)
-        ax.set_xlim([1, solution.summary_variables["Cycle number"][-1]])
+        ax.set_xlim([1, solution.summary_variables.cycle_number[-1]])
 
     fig.tight_layout()
 

diff --git a/src/pybamm/simulation.py b/src/pybamm/simulation.py
@@ -920,7 +920,7 @@ def solve(
                 # See PR #3995
                 if voltage_stop is not None:
                     min_voltage = np.min(cycle_solution["Battery voltage [V]"].data)
-                    logs["summary variables"]["Minimum voltage [V]"] = min_voltage
+                    logs["Minimum voltage [V]"] = min_voltage
 
                 callbacks.on_cycle_end(logs)
 
@@ -941,7 +941,7 @@ def solve(
 
             if self._solution is not None and len(all_cycle_solutions) > 0:
                 self._solution.cycles = all_cycle_solutions
-                self._solution.set_summary_variables(all_summary_variables)
+                self._solution.update_summary_variables(all_summary_variables)
                 self._solution.all_first_states = all_first_states
 
             callbacks.on_experiment_end(logs)

diff --git a/src/pybamm/solvers/solution.py b/src/pybamm/solvers/solution.py
@@ -563,16 +563,10 @@ def initial_start_time(self, value):
         """Updates the initial start time of the experiment"""
         self._initial_start_time = value
 
-    def set_summary_variables(self, all_summary_variables):
-        summary_variables = {var: [] for var in all_summary_variables[0]}
-        for sum_vars in all_summary_variables:
-            for name, value in sum_vars.items():
-                summary_variables[name].append(value)
-
-        summary_variables["Cycle number"] = range(1, len(all_summary_variables) + 1)
+    def update_summary_variables(self, all_summary_variables):
         self.all_summary_variables = all_summary_variables
-        self._summary_variables = pybamm.FuzzyDict(
-            {name: np.array(value) for name, value in summary_variables.items()}
+        self._summary_variables = pybamm.SummaryVariables(
+            self, cycle_summary_variables=all_summary_variables
         )
 
     def update(self, variables):
@@ -1142,8 +1136,8 @@ def make_cycle_solution(
 
     cycle_solution.steps = step_solutions
 
-    cycle_summary_variables = _get_cycle_summary_variables(
-        cycle_solution, esoh_solver, user_inputs=inputs
+    cycle_summary_variables = pybamm.SummaryVariables(
+        cycle_solution, esoh_solver=esoh_solver, user_inputs=inputs
     )
 
     cycle_first_state = cycle_solution.first_state
@@ -1154,46 +1148,3 @@ def make_cycle_solution(
         cycle_solution = None
 
     return cycle_solution, cycle_summary_variables, cycle_first_state
-
-
-def _get_cycle_summary_variables(cycle_solution, esoh_solver, user_inputs=None):
-    user_inputs = user_inputs or {}
-    model = cycle_solution.all_models[0]
-    cycle_summary_variables = pybamm.FuzzyDict({})
-
-    # Summary variables
-    summary_variables = model.summary_variables
-    first_state = cycle_solution.first_state
-    last_state = cycle_solution.last_state
-    for var in summary_variables:
-        data_first = first_state[var].data
-        data_last = last_state[var].data
-        cycle_summary_variables[var] = data_last[0]
-        var_lowercase = var[0].lower() + var[1:]
-        cycle_summary_variables["Change in " + var_lowercase] = (
-            data_last[0] - data_first[0]
-        )
-
-    # eSOH variables (full-cell lithium-ion model only, for now)
-    if (
-        esoh_solver is not None
-        and isinstance(model, pybamm.lithium_ion.BaseModel)
-        and model.options.electrode_types["negative"] == "porous"
-        and "Negative electrode capacity [A.h]" in model.variables
-        and "Positive electrode capacity [A.h]" in model.variables
-    ):
-        Q_n = last_state["Negative electrode capacity [A.h]"].data[0]
-        Q_p = last_state["Positive electrode capacity [A.h]"].data[0]
-        Q_Li = last_state["Total lithium capacity in particles [A.h]"].data[0]
-        all_inputs = {**user_inputs, "Q_n": Q_n, "Q_p": Q_p, "Q_Li": Q_Li}
-        try:
-            esoh_sol = esoh_solver.solve(inputs=all_inputs)
-        except pybamm.SolverError as error:  # pragma: no cover
-            raise pybamm.SolverError(
-                "Could not solve for summary variables, run "
-                "`sim.solve(calc_esoh=False)` to skip this step"
-            ) from error
-
-        cycle_summary_variables.update(esoh_sol)
-
-    return cycle_summary_variables