BPX example (#4635)

* fix bpx bug when activation energies not provided * add bpx example * create from bpx obj * style: pre-commit fixes * docs * update BPX tests * Move function and rename variable * Update docs/source/examples/notebooks/parameterization/bpx.ipynb Co-authored-by: Eric G. Kratz <[email protected]> * update pybamm-data and bpx example * style: pre-commit fixes * move initial soc check * fix tests * Update docs/source/examples/notebooks/parameterization/bpx.ipynb Co-authored-by: Eric G. Kratz <[email protected]> --------- Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com> Co-authored-by: Eric G. Kratz <[email protected]> Co-authored-by: kratman <[email protected]>
pybamm-team · Dec 3, 2024 · 16b15b9 · 16b15b9
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diff --git a/docs/source/examples/index.rst b/docs/source/examples/index.rst
@@ -88,6 +88,7 @@ The notebooks are organised into subfolders, and can be viewed in the galleries
     notebooks/parameterization/parameter-values.ipynb
     notebooks/parameterization/parameterization.ipynb
     notebooks/parameterization/sensitivities_and_data_fitting.ipynb
+    notebooks/parameterization/bpx.ipynb
 
 .. nbgallery::
     :caption: Simulations and Experiments

diff --git a/docs/source/examples/notebooks/parameterization/bpx.ipynb b/docs/source/examples/notebooks/parameterization/bpx.ipynb
diff --git a/docs/source/examples/notebooks/pybamm_data.ipynb b/docs/source/examples/notebooks/pybamm_data.ipynb
@@ -10,7 +10,7 @@
     "This notebook is a reference for using pybamm.DataLoader module for using and fetching data files from the pybamm-data registry.\n",
     "Checkout the [documentation](../../api/pybamm_data.rst) for further implementation details on this module.\n",
     "\n",
-    "The following steps provide an example for using pybamm.DataLoader to download data files from PyBaMM data registry upstream at [pybamm-data](https://github.com/pybamm-team/pybamm-data/releases/tag/v1.0.0).\n"
+    "The following steps provide an example for using pybamm.DataLoader to download data files from PyBaMM data registry upstream at [pybamm-data](https://github.com/pybamm-team/pybamm-data/releases).\n"
    ]
   },
   {

diff --git a/src/pybamm/parameters/parameter_values.py b/src/pybamm/parameters/parameter_values.py
@@ -68,41 +68,34 @@ def __init__(self, values):
                 pybamm.citations.register(citation)
 
     @staticmethod
-    def create_from_bpx(filename, target_soc: float = 1):
-        """
-        Parameters
-        ----------
-        filename: str
-            The filename of the bpx file
-        target_soc : float, optional
-            Target state of charge. Must be between 0 and 1. Default is 1.
-
-        Returns
-        -------
-        ParameterValues
-            A parameter values object with the parameters in the bpx file
+    def _create_from_bpx(bpx, target_soc):
+        from bpx import get_electrode_concentrations
+        from bpx.schema import ElectrodeBlended, ElectrodeBlendedSPM
+        from .bpx import bpx_to_param_dict
 
-        """
         if target_soc < 0 or target_soc > 1:
             raise ValueError("Target SOC should be between 0 and 1")
 
-        from bpx import parse_bpx_file, get_electrode_concentrations
-        from bpx.schema import ElectrodeBlended, ElectrodeBlendedSPM
-        from .bpx import bpx_to_param_dict
-
-        # parse bpx
-        bpx = parse_bpx_file(filename)
         pybamm_dict = bpx_to_param_dict(bpx)
 
         if "Open-circuit voltage at 0% SOC [V]" not in pybamm_dict:
             pybamm_dict["Open-circuit voltage at 0% SOC [V]"] = pybamm_dict[
                 "Lower voltage cut-off [V]"
             ]
+            warn(
+                "'Open-circuit voltage at 0% SOC [V]' not found in BPX file. Using "
+                "'Lower voltage cut-off [V]'.",
+                stacklevel=2,
+            )
+        if "Open-circuit voltage at 100% SOC [V]" not in pybamm_dict:
             pybamm_dict["Open-circuit voltage at 100% SOC [V]"] = pybamm_dict[
                 "Upper voltage cut-off [V]"
             ]
-            # probably should put a warning here to indicate we are going
-            # ahead with the low voltage limit.
+            warn(
+                "'Open-circuit voltage at 100% SOC [V]' not found in BPX file. Using "
+                "'Upper voltage cut-off [V]'.",
+                stacklevel=2,
+            )
 
         # get initial concentrations based on SOC
         # Note: we cannot set SOC for blended electrodes,
@@ -127,6 +120,48 @@ def create_from_bpx(filename, target_soc: float = 1):
 
         return pybamm.ParameterValues(pybamm_dict)
 
+    @staticmethod
+    def create_from_bpx_obj(bpx_obj, target_soc: float = 1):
+        """
+        Parameters
+        ----------
+        bpx_obj: dict
+            A dictionary containing the parameters in the `BPX <https://bpxstandard.com/>`_ format
+        target_soc : float, optional
+            Target state of charge. Must be between 0 and 1. Default is 1.
+
+        Returns
+        -------
+        ParameterValues
+            A parameter values object with the parameters in the bpx file
+
+        """
+        from bpx import parse_bpx_obj
+
+        bpx = parse_bpx_obj(bpx_obj)
+        return ParameterValues._create_from_bpx(bpx, target_soc)
+
+    @staticmethod
+    def create_from_bpx(filename, target_soc: float = 1):
+        """
+        Parameters
+        ----------
+        filename: str
+            The filename of the `BPX <https://bpxstandard.com/>`_ file
+        target_soc : float, optional
+            Target state of charge. Must be between 0 and 1. Default is 1.
+
+        Returns
+        -------
+        ParameterValues
+            A parameter values object with the parameters in the bpx file
+
+        """
+        from bpx import parse_bpx_file
+
+        bpx = parse_bpx_file(filename)
+        return ParameterValues._create_from_bpx(bpx, target_soc)
+
     def __getitem__(self, key):
         try:
             return self._dict_items[key]

diff --git a/src/pybamm/pybamm_data.py b/src/pybamm/pybamm_data.py
@@ -80,7 +80,7 @@ def __init__(self):
         """
         Create a pooch registry with the following data files available upstream at https://github.com/pybamm-team/pybamm-data/
         """
-        self.version = "v1.0.0"  # Version of pybamm-data release
+        self.version = "v1.0.1"  # Version of pybamm-data release
         self.path = pooch.os_cache("pybamm")
         self.files = {
             # COMSOL results
@@ -112,6 +112,8 @@ def __init__(self):
             "US06.csv": "sha256:5909eb2ec7983fae86a050ff3b35a2041d0ab698710a6b0f95d5816e348077ba",
             "WLTC.csv": "sha256:bb2f95018a44ac1425cb9c787c34721192af502c7385f1358f28e4f75df11fd8",
             "car_current.csv": "sha256:4305b91b9df073cb048c25dd3fae725e06a94fe200e322e5c08db290d6799e36",
+            # BPX files
+            "nmc_pouch_cell_BPX.json": "sha256:27261e2a7012725ed16c0c8b799b870388bd6c77f86bbf1949353286569c7d0d",
         }
         self.registry = pooch.create(
             path=self.path,

diff --git a/tests/unit/test_parameters/test_bpx.py b/tests/unit/test_parameters/test_bpx.py
@@ -263,8 +263,9 @@ def test_table_data(self):
                 assert isinstance(dUdT, pybamm.Interpolant)
 
     def test_bpx_soc_error(self):
+        bpx_obj = copy.copy(self.base)
         with pytest.raises(ValueError, match="Target SOC"):
-            pybamm.ParameterValues.create_from_bpx("blah.json", target_soc=10)
+            pybamm.ParameterValues.create_from_bpx_obj(bpx_obj, target_soc=10)
 
     def test_bpx_arrhenius(self):
         bpx_obj = copy.copy(self.base)
@@ -500,3 +501,8 @@ def test_bpx_activation_energy_default(self):
             assert param[
                 "Negative electrode diffusivity activation energy [J.mol-1]"
             ] == pytest.approx(0.0, rel=1e-12)
+
+    def test_bpx_from_obj(self):
+        bpx_obj = copy.copy(self.base)
+        param = pybamm.ParameterValues.create_from_bpx_obj(bpx_obj)
+        assert isinstance(param, pybamm.ParameterValues)