Issue 939 sim defaults

CHANGELOG.md

@@ -13,6 +13,8 @@
 
 ## Bug fixes
 
+-   Changed simulation attributes to assign copies rather than the objects themselves ([#952](https://github.com/pybamm-team/PyBaMM/pull/952)
+-   Added default values to base model so that it works with the `Simulation` class ([#952](https://github.com/pybamm-team/PyBaMM/pull/952)
 -   Reformatted thermal submodels ([#938](https://github.com/pybamm-team/PyBaMM/pull/938)
 -   Reformatted electrolyte submodels ([#927](https://github.com/pybamm-team/PyBaMM/pull/927))
 -   Reformatted convection submodels ([#635](https://github.com/pybamm-team/PyBaMM/pull/635))
@@ -21,6 +23,7 @@
 
 -   Removed some inputs like `T_inf`, `R_g` and activation energies to some of the standard function parameters. This is because each of those inputs is specific to a particular function (e.g. the reference temperature at which the function was measured). To change a property such as the activation energy, users should create a new function, specifying the relevant property as a `Parameter` or `InputParameter` ([#942](https://github.com/pybamm-team/PyBaMM/pull/942))
 -   The thermal option 'xyz-lumped' has been removed. The option 'thermal current collector' has also been removed ([#938](https://github.com/pybamm-team/PyBaMM/pull/938)
+-   The 'C-rate' parameter has been deprecated. Use 'Current function [A]' instead. The cell capacity can be accessed as 'Cell capacity [A.h]', and used to calculate current from C-rate ([#952](https://github.com/pybamm-team/PyBaMM/pull/952)
 
 # [v0.2.1](https://github.com/pybamm-team/PyBaMM/tree/v0.2.1) - 2020-03-31
 

pybamm/input/parameters/lead-acid/cells/BBOXX_Sulzer2019/parameters.csv

@@ -19,7 +19,7 @@ Positive tab centre z-coordinate [m],0.114,Tab at top,
 # Electrical,,,
 Cell capacity [A.h],17,Manufacturer,
 Typical current [A],1,,
-
+Current function [A],1,default current function,
 ,,,
 # Density,,,
 Negative current collector density [kg.m-3],11300, same as electrode,

pybamm/input/parameters/lead-acid/experiments/1C_discharge_from_full/parameters.csv

@@ -14,7 +14,6 @@ Number of electrodes connected in parallel to make a cell,8,Manufacturer,
 Number of cells connected in series to make a battery,6,Manufacturer,
 Lower voltage cut-off [V],1.73,(just under) 10.5V across 6-cell battery,
 Upper voltage cut-off [V],2.44,(just over) 14.5V across 6-cell battery,
-C-rate,0.1,,
 ,,,
 # Initial conditions
 Initial State of Charge,1,-,

pybamm/input/parameters/lithium-ion/cells/Kim2011/parameters.csv

@@ -35,3 +35,4 @@ Positive current collector thermal conductivity [W.m-1.K-1],158.079, 237 * 0.667
 # Electrical,,,
 Cell capacity [A.h],0.43,trial and error,
 Typical current [A],0.43,0.2857,1C current
+Current function [A],0.43,default current function,

pybamm/input/parameters/lithium-ion/cells/LGM50_Chen2020/parameters.csv

@@ -34,4 +34,5 @@ Positive current collector thermal conductivity [W.m-1.K-1],237,CRC Handbook,alu
 ,,,
 # Electrical,,,
 Cell capacity [A.h],5,Chen 2020,
-Typical current [A],5,Chen 2020,
+Typical current [A],5,Chen 2020,
+Current function [A],5,default current function,

pybamm/input/parameters/lithium-ion/cells/UMBL_Mohtat2020/parameters.csv

@@ -35,3 +35,4 @@ Positive current collector thermal conductivity [W.m-1.K-1],237,,
 # Electrical,,,
 Cell capacity [A.h],5,Peyman MPM,
 Typical current [A],5,,1C current
+Current function [A],5,default current function,

pybamm/input/parameters/lithium-ion/cells/kokam_Ecker2015/parameters.csv

@@ -13,3 +13,4 @@ Electrode width [m],8.50E-02,,
 # Electrical,,,
 Cell capacity [A.h], 0.15625, 7.5/48 (parameter set for a single layer cell),
 Typical current [A], 0.15652,,
+Current function [A],0.15652,default current function,

pybamm/input/parameters/lithium-ion/cells/kokam_Marquis2019/parameters.csv

@@ -35,3 +35,4 @@ Positive current collector thermal conductivity [W.m-1.K-1],237,,
 # Electrical,,,
 Cell capacity [A.h],0.680616,,24 Ah/m2 * 0.137m * 0.207m
 Typical current [A],0.680616,,1C current
+Current function [A],0.680616,default current function,

pybamm/input/parameters/lithium-ion/experiments/1C_charge_from_empty_Mohtat2020/parameters.csv

@@ -11,7 +11,6 @@ Number of electrodes connected in parallel to make a cell,1,,
 Number of cells connected in series to make a battery,1,,
 Lower voltage cut-off [V],2.5,,
 Upper voltage cut-off [V],4.2,,
-C-rate,-1,,
 ,,,
 # Initial conditions
 Initial concentration in negative electrode [mol.m-3],48.8682,Peyman MPM, x0 (0.0017) * Csmax_n

pybamm/input/parameters/lithium-ion/experiments/1C_discharge_from_full_Chen2020/parameters.csv

@@ -12,7 +12,6 @@ Number of electrodes connected in parallel to make a cell,1,,
 Number of cells connected in series to make a battery,1,,
 Lower voltage cut-off [V],2.5,,
 Upper voltage cut-off [V],4.4,,
-C-rate,1,,
 ,,,
 # Initial conditions
 Initial concentration in negative electrode [mol.m-3],30086,Chen 2020,

pybamm/input/parameters/lithium-ion/experiments/1C_discharge_from_full_Ecker2015/parameters.csv

@@ -12,7 +12,6 @@ Number of electrodes connected in parallel to make a cell,1,,
 Number of cells connected in series to make a battery,1,,
 Lower voltage cut-off [V],2.5,,
 Upper voltage cut-off [V],4.2,,
-C-rate,1,,
 ,,,
 # Initial conditions
 Initial concentration in negative electrode [mol.m-3], 26120.05,,

pybamm/input/parameters/lithium-ion/experiments/1C_discharge_from_full_Kim2011/parameters.csv

@@ -12,7 +12,6 @@ Number of electrodes connected in parallel to make a cell,1,,
 Number of cells connected in series to make a battery,1,,
 Lower voltage cut-off [V],2.7,,
 Upper voltage cut-off [V],4.5,,
-C-rate,1,,
 ,,,
 # Initial conditions
 Initial concentration in negative electrode [mol.m-3],18081,0.63*2.84E4,

pybamm/input/parameters/lithium-ion/experiments/1C_discharge_from_full_Marquis2019/parameters.csv

@@ -11,7 +11,6 @@ Number of electrodes connected in parallel to make a cell,1,,
 Number of cells connected in series to make a battery,1,,
 Lower voltage cut-off [V],3.105,,
 Upper voltage cut-off [V],4.7,,
-C-rate,1,,
 ,,,
 # Initial conditions
 Initial concentration in negative electrode [mol.m-3],19986.609595075,Scott Moura FastDFN,

pybamm/models/base_model.py

@@ -643,6 +643,26 @@ def info(self, symbol_name):
 
         print(div)
 
+    @property
+    def default_parameter_values(self):
+        return pybamm.ParameterValues({})
+
+    @property
+    def default_var_pts(self):
+        return {}
+
+    @property
+    def default_geometry(self):
+        return {}
+
+    @property
+    def default_submesh_types(self):
+        return {}
+
+    @property
+    def default_spatial_methods(self):
+        return {}
+
     @property
     def default_solver(self):
         "Return default solver based on whether model is ODE model or DAE model"

pybamm/parameters/parameter_values.py

@@ -5,7 +5,6 @@
 import pandas as pd
 import os
 import numbers
-import numpy as np
 from pprint import pformat
 
 
@@ -86,6 +85,13 @@ def __init__(self, values=None, chemistry=None):
     def __getitem__(self, key):
         return self._dict_items[key]
 
+    def get(self, key, default=None):
+        "Return item correspoonding to key if it exists, otherwise return default"
+        try:
+            return self._dict_items[key]
+        except KeyError:
+            return default
+
     def __setitem__(self, key, value):
         "Call the update functionality when doing a setitem"
         self.update({key: value})
@@ -108,6 +114,11 @@ def items(self):
         "Get the items of the dictionary"
         return self._dict_items.items()
 
+    def copy(self):
+        """Returns a copy of the parameter values. Makes sure to copy the internal
+        dictionary."""
+        return ParameterValues(values=self._dict_items.copy())
+
     def search(self, key, print_values=True):
         """
         Search dictionary for keys containing 'key'.
@@ -206,6 +217,8 @@ def update(self, values, check_conflict=False, check_already_exists=True, path="
         path : string, optional
             Path from which to load functions
         """
+        # check parameter values
+        self.check_parameter_values(values)
         # update
         for name, value in values.items():
             # check for conflicts
@@ -265,64 +278,22 @@ def update(self, values, check_conflict=False, check_already_exists=True, path="
                     values[name] = float(value)
             else:
                 self._dict_items[name] = value
-        # check parameter values
-        self.check_and_update_parameter_values(values)
         # reset processed symbols
         self._processed_symbols = {}
 
-    def check_and_update_parameter_values(self, values):
+    def check_parameter_values(self, values):
         # Make sure typical current is non-zero
         if "Typical current [A]" in values and values["Typical current [A]"] == 0:
             raise ValueError(
                 "'Typical current [A]' cannot be zero. A possible alternative is to "
                 "set 'Current function [A]' to `0` instead."
             )
-        if "C-rate" in values and "Current function [A]" in values:
+        if "C-rate" in values:
             raise ValueError(
-                "Cannot provide both 'C-rate' and 'Current function [A]' simultaneously"
+                "The 'C-rate' parameter has been deprecated, "
+                "use 'Current function [A]' instead. The cell capacity can be accessed "
+                "as 'Cell capacity [A.h]', and used to calculate current from C-rate."
             )
-        # If the capacity of the cell has been provided, make sure "C-rate" and current
-        # match with the stated capacity
-        if "Cell capacity [A.h]" in values or "Cell capacity [A.h]" in self._dict_items:
-            # Capacity from values takes precedence
-            if "Cell capacity [A.h]" in values:
-                capacity = values["Cell capacity [A.h]"]
-            else:
-                capacity = self._dict_items["Cell capacity [A.h]"]
-            # Make sure they match if both provided
-            # Update the other if only one provided
-            if "C-rate" in values:
-                # Can't provide C-rate as a function
-                if callable(values["C-rate"]):
-                    value = CrateToCurrent(values["C-rate"], capacity)
-                elif isinstance(values["C-rate"], tuple):
-                    data = values["C-rate"][1]
-                    current_data = np.stack([data[:, 0], data[:, 1] * capacity], axis=1)
-                    value = (values["C-rate"][0] + "_to_current", current_data)
-                elif values["C-rate"] == "[input]":
-                    value = CrateToCurrent(values["C-rate"], capacity, typ="input")
-                else:
-                    value = values["C-rate"] * capacity
-                self._dict_items["Current function [A]"] = value
-            elif "Current function [A]" in values:
-                if callable(values["Current function [A]"]):
-                    value = CurrentToCrate(values["Current function [A]"], capacity)
-                elif isinstance(values["Current function [A]"], tuple):
-                    data = values["Current function [A]"][1]
-                    c_rate_data = np.stack([data[:, 0], data[:, 1] / capacity], axis=1)
-                    value = (
-                        values["Current function [A]"][0] + "_to_Crate",
-                        c_rate_data,
-                    )
-                elif values["Current function [A]"] == "[input]":
-                    value = CurrentToCrate(
-                        values["Current function [A]"], capacity, typ="input"
-                    )
-                else:
-                    value = values["Current function [A]"] / capacity
-                self._dict_items["C-rate"] = value
-
-        return values
 
     def process_model(self, unprocessed_model, inplace=True):
         """Assign parameter values to a model.
@@ -598,33 +569,3 @@ def evaluate(self, symbol):
 
     def _ipython_key_completions_(self):
         return list(self._dict_items.keys())
-
-
-class CurrentToCrate:
-    "Convert a current function to a C-rate function"
-
-    def __init__(self, current, capacity, typ="function"):
-        self.current = current
-        self.capacity = capacity
-        self.type = typ
-
-    def __call__(self, t):
-        if self.type == "function":
-            return self.current(t) / self.capacity
-        elif self.type == "input":
-            return pybamm.InputParameter("Current function [A]") / self.capacity
-
-
-class CrateToCurrent:
-    "Convert a C-rate function to a current function"
-
-    def __init__(self, Crate, capacity, typ="function"):
-        self.Crate = Crate
-        self.capacity = capacity
-        self.type = typ
-
-    def __call__(self, t):
-        if self.type == "function":
-            return self.Crate(t) * self.capacity
-        elif self.type == "input":
-            return pybamm.InputParameter("C-rate") * self.capacity

pybamm/parameters/print_parameters.py

@@ -61,7 +61,11 @@ def print_parameters(parameters, parameter_values, output_file=None):
     # Calculate parameters for each C-rate
     for Crate in [1, 10]:
         # Update Crate
-        parameter_values.update({"C-rate": Crate}, check_already_exists=False)
+        capacity = parameter_values.get("Cell capacity [A.h]")
+        if capacity is not None:
+            parameter_values.update(
+                {"Current function [A]": Crate * capacity}, check_already_exists=False
+            )
         for name, symbol in parameters.items():
             if not callable(symbol):
                 proc_symbol = parameter_values.process_symbol(symbol)