Migrate to Pydantic>2

bpx/function.py

@@ -2,7 +2,9 @@
 import copy
 from importlib import util
 import tempfile
-from typing import Callable
+from typing import Callable, Any
+from pydantic import GetCoreSchemaHandler, GetJsonSchemaHandler
+from pydantic_core import core_schema
 
 from bpx import ExpressionParser
 
@@ -24,8 +26,8 @@ def __get_validators__(cls):
         yield cls.validate
 
     @classmethod
-    def __modify_schema__(cls, field_schema):
-        field_schema.update(examples=["1 + x", "1.9793 * exp(-39.3631 * x)" "2 * x**2"])
+    def __get_pydantic_json_schema__(cls, field_schema):
+        field_schema.update(examples=["1 + x", "1.9793 * exp(-39.3631 * x)", "2 * x**2"])
 
     @classmethod
     def validate(cls, v: str) -> Function:

bpx/parsers.py

@@ -30,7 +30,7 @@ def parse_bpx_obj(bpx: dict) -> BPX:
     BPX:
         a parsed BPX model
     """
-    return BPX.parse_obj(bpx)
+    return BPX.model_validate(bpx)
 
 
 def parse_bpx_str(bpx: str) -> BPX:
@@ -46,4 +46,4 @@ def parse_bpx_str(bpx: str) -> BPX:
     BPX:
         a parsed BPX model
     """
-    return BPX.parse_raw(bpx)
+    return BPX.model_validate_json(bpx)

bpx/schema.py

@@ -1,44 +1,43 @@
 from typing import List, Literal, Union, Dict
 
-from pydantic import BaseModel, Field, Extra
+from pydantic import BaseModel, Field, Extra, ConfigDict
 
 from bpx import Function, InterpolatedTable
 
 FloatFunctionTable = Union[float, Function, InterpolatedTable]
 
 
 class ExtraBaseModel(BaseModel):
-    class Config:
-        extra = Extra.forbid
+    model_config = ConfigDict(arbitrary_types_allowed=True, extra="forbid")
 
 
 class Header(ExtraBaseModel):
     bpx: float = Field(
         alias="BPX",
-        example=1.0,
+        examples=1.0,
         description="BPX format version",
     )
     title: str = Field(
         None,
         alias="Title",
-        example="Parameterisation example",
+        examples="Parameterisation example",
         description="LGM50 battery parametrisation",
     )
     description: str = Field(
         None,
         alias="Description",
         description=("May contain additional cell description such as form factor"),
-        example="Pouch cell (191mm x 88mm x 7.6mm)",
+        examples="Pouch cell (191mm x 88mm x 7.6mm)",
     )
     references: str = Field(
         None,
         alias="References",
-        descrciption=("May contain any references"),
-        example="Chang-Hui Chen et al 2020 J. Electrochem. Soc. 167 080534",
+        description=("May contain any references"),
+        examples="Chang-Hui Chen et al 2020 J. Electrochem. Soc. 167 080534",
     )
     model: Literal["SPM", "SPMe", "DFN"] = Field(
         alias="Model",
-        example="DFN",
+        examples="DFN",
         description=('Model type ("SPM", "SPMe", "DFN")'),
     )
 
@@ -47,91 +46,91 @@ class Cell(ExtraBaseModel):
     electrode_area: float = Field(
         alias="Electrode area [m2]",
         description="Electrode cross-sectional area",
-        example=1.68e-2,
+        examples=1.68e-2,
     )
     external_surface_area: float = Field(
         None,
         alias="External surface area [m2]",
-        example=3.78e-2,
+        examples=3.78e-2,
         description="External surface area of cell",
     )
     volume: float = Field(
         None,
         alias="Volume [m3]",
-        example=1.27e-4,
+        examples=1.27e-4,
         description="Volume of the cell",
     )
     number_of_electrodes: int = Field(
         alias="Number of electrode pairs connected in parallel to make a cell",
-        example=1,
+        examples=1,
         description=("Number of electrode pairs connected in parallel to make a cell"),
     )
     lower_voltage_cutoff: float = Field(
         alias="Lower voltage cut-off [V]",
         description="Minimum allowed voltage",
-        example=2.0,
+        examples=2.0,
     )
     upper_voltage_cutoff: float = Field(
         alias="Upper voltage cut-off [V]",
         description="Maximum allowed voltage",
-        example=4.4,
+        examples=4.4,
     )
     nominal_cell_capacity: float = Field(
         alias="Nominal cell capacity [A.h]",
         description=(
             "Nominal cell capacity. " "Used to convert between current and C-rate."
         ),
-        example=5.0,
+        examples=5.0,
     )
     ambient_temperature: float = Field(
         alias="Ambient temperature [K]",
-        example=298.15,
+        examples=298.15,
     )
     initial_temperature: float = Field(
         None,
         alias="Initial temperature [K]",
-        example=298.15,
+        examples=298.15,
     )
     reference_temperature: float = Field(
         None,
         alias="Reference temperature [K]",
         description=("Reference temperature for the Arrhenius temperature dependence"),
-        example=298.15,
+        examples=298.15,
     )
     density: float = Field(
         None,
         alias="Density [kg.m-3]",
-        example=1000.0,
+        examples=1000.0,
         description="Density (lumped)",
     )
     specific_heat_capacity: float = Field(
         None,
         alias="Specific heat capacity [J.K-1.kg-1]",
-        example=1000.0,
+        examples=1000.0,
         description="Specific heat capacity (lumped)",
     )
     thermal_conductivity: float = Field(
         None,
         alias="Thermal conductivity [W.m-1.K-1]",
-        example=1.0,
+        examples=1.0,
         description="Thermal conductivity (lumped)",
     )
 
 
 class Electrolyte(ExtraBaseModel):
     initial_concentration: float = Field(
         alias="Initial concentration [mol.m-3]",
-        example=1000,
+        examples=1000,
         description=("Initial / rest lithium ion concentration in the electrolyte"),
     )
     cation_transference_number: float = Field(
         alias="Cation transference number",
-        example=0.259,
+        examples=0.259,
         description="Cation transference number",
     )
     diffusivity: FloatFunctionTable = Field(
         alias="Diffusivity [m2.s-1]",
-        example="8.794e-7 * x * x - 3.972e-6 * x + 4.862e-6",
+        examples="8.794e-7 * x * x - 3.972e-6 * x + 4.862e-6",
         description=(
             "Lithium ion diffusivity in electrolyte (constant or function "
             "of concentration)"
@@ -140,71 +139,71 @@ class Electrolyte(ExtraBaseModel):
     diffusivity_activation_energy: float = Field(
         None,
         alias="Diffusivity activation energy [J.mol-1]",
-        example=17100,
+        examples=17100,
         description="Activation energy for diffusivity in electrolyte",
     )
     conductivity: FloatFunctionTable = Field(
         alias="Conductivity [S.m-1]",
-        example=1.0,
+        examples=1.0,
         description=(
             "Electrolyte conductivity (constant or function of concentration)"
         ),
     )
     conductivity_activation_energy: float = Field(
         None,
         alias="Conductivity activation energy [J.mol-1]",
-        example=17100,
+        examples=17100,
         description="Activation energy for conductivity in electrolyte",
     )
 
 
 class Contact(ExtraBaseModel):
     thickness: float = Field(
         alias="Thickness [m]",
-        example=85.2e-6,
+        examples=85.2e-6,
         description="Contact thickness",
     )
     porosity: float = Field(
         alias="Porosity",
-        example=0.47,
+        examples=0.47,
         description="Electrolyte volume fraction (porosity)",
     )
     transport_efficiency: float = Field(
         alias="Transport efficiency",
-        example=0.3222,
+        examples=0.3222,
         description="Transport efficiency / inverse MacMullin number",
     )
 
 
 class Electrode(Contact):
     minimum_stoichiometry: float = Field(
         alias="Minimum stoichiometry",
-        example=0.1,
+        examples=0.1,
         description="Minimum stoichiometry",
     )
     maximum_stoichiometry: float = Field(
         alias="Maximum stoichiometry",
-        example=0.9,
+        examples=0.9,
         description="Maximum stoichiometry",
     )
     maximum_concentration: float = Field(
         alias="Maximum concentration [mol.m-3]",
-        example=631040,
+        examples=631040,
         description="Maximum concentration of lithium ions in particles",
     )
     particle_radius: float = Field(
         alias="Particle radius [m]",
-        example=5.86e-6,
+        examples=5.86e-6,
         description="Particle radius",
     )
     surface_area_per_unit_volume: float = Field(
         alias="Surface area per unit volume [m-1]",
-        example=382184,
+        examples=382184,
         description="Particle surface area per unit of volume",
     )
     diffusivity: FloatFunctionTable = Field(
         alias="Diffusivity [m2.s-1]",
-        example="3.3e-14",
+        examples="3.3e-14",
         description=(
             "Lithium ion diffusivity in particle (constant or function "
             "of stoichiometry)"
@@ -213,17 +212,17 @@ class Electrode(Contact):
     diffusivity_activation_energy: float = Field(
         None,
         alias="Diffusivity activation energy [J.mol-1]",
-        example=17800,
+        examples=17800,
         description="Activation energy for diffusivity in particles",
     )
     conductivity: float = Field(
         alias="Conductivity [S.m-1]",
-        example=0.18,
+        examples=0.18,
         description=("Electrolyte conductivity (constant)"),
     )
     ocp: FloatFunctionTable = Field(
         alias="OCP [V]",
-        example={"x": [0, 0.1, 1], "y": [1.72, 1.2, 0.06]},
+        examples={"x": [0, 0.1, 1], "y": [1.72, 1.2, 0.06]},
         description=(
             "Open-circuit potential (OCP) at the reference temperature, "
             "function of particle stoichiometry"
@@ -232,42 +231,42 @@ class Electrode(Contact):
     dudt: FloatFunctionTable = Field(
         None,
         alias="Entropic change coefficient [V.K-1]",
-        example={"x": [0, 0.1, 1], "y": [-9e-18, -9e-15, -1e-5]},
+        examples={"x": [0, 0.1, 1], "y": [-9e-18, -9e-15, -1e-5]},
         description=("Entropic change coefficient, function of particle stoichiometry"),
     )
     reaction_rate_constant: float = Field(
         alias="Reaction rate constant [mol.m-2.s-1]",
-        example=1e-10,
+        examples=1e-10,
         description="Normalised reaction rate K (see notes)",
     )
     reaction_rate_constant_activation_energy: float = Field(
         None,
         alias="Reaction rate constant activation energy [J.mol-1]",
-        example=27010,
+        examples=27010,
         description="Activation energy of reaction rate constant in particles",
     )
 
 
 class Experiment(ExtraBaseModel):
     time: List[float] = Field(
         alias="Time [s]",
-        example=[0, 0.1, 0.2, 0.3, 0.4],
+        examples=[0, 0.1, 0.2, 0.3, 0.4],
         description="Time in seconds (list of floats)",
     )
     current: List[float] = Field(
         alias="Current [A]",
-        example=[-5, -5, -5, -5, -5],
+        examples=[-5, -5, -5, -5, -5],
         description="Current vs time",
     )
     voltage: List[float] = Field(
         alias="Voltage [V]",
-        example=[4.2, 4.1, 4.0, 3.9, 3.8],
+        examples=[4.2, 4.1, 4.0, 3.9, 3.8],
         description="Voltage vs time",
     )
     temperature: List[float] = Field(
         None,
         alias="Temperature [K]",
-        example=[298, 298, 298, 298, 298],
+        examples=[298, 298, 298, 298, 298],
         description="Temperature vs time",
     )