steer-core 0.1.1__py3-none-any.whl

steer_core/Mixins/validators.py

@@ -0,0 +1,420 @@
+from typing import Type
+import pandas as pd
+import numpy as np
+
+from scipy.interpolate import PchipInterpolator
+
+
+ALLOWED_REFERENCE = [
+    'Na/Na+',
+    'Li/Li+'
+]
+
+
+class ValidationMixin:
+
+    @staticmethod
+    def validate_formulations(value: Type) -> None:
+        """
+        Validate that a value is an instance of _ElectrodeFormulation.
+
+        Parameters
+        ----------
+        value : Type
+            The value to validate.
+
+        Raises
+        ------
+        TypeError
+            If the value is not an instance of _ElectrodeFormulation.
+        """
+        from steer_opencell_design.Formulations.ElectrodeFormulations import _ElectrodeFormulation
+
+        if not isinstance(value, _ElectrodeFormulation):
+            raise TypeError(f"Expected an instance of _ElectrodeFormulation. Provided: {type(value)}.")
+
+    @staticmethod
+    def validate_insulation_material(value: Type) -> None:
+        """
+        Validate that a value is an instance of InsulationMaterial.
+
+        Parameters
+        ----------
+        value : Type
+            The value to validate.
+
+        Raises
+        ------
+        TypeError
+            If the value is not an instance of InsulationMaterial.
+        """
+        from steer_materials.CellMaterials.Base import InsulationMaterial
+
+        if not isinstance(value, InsulationMaterial):
+            raise TypeError(f"Expected an instance of InsulationMaterial. Provided: {type(value)}.")
+
+    @staticmethod
+    def validate_current_collector(value: Type) -> None:
+        """
+        Validate that a value is an instance of _CurrentCollector.
+        
+        Parameters
+        ----------
+        value : Type
+            The value to validate.
+
+        Raises
+        ------
+        TypeError
+            If the value is not an instance of _CurrentCollector.
+        """
+        from steer_opencell_design.Components.CurrentCollectors import _CurrentCollector
+
+        if not isinstance(value, _CurrentCollector):
+            raise TypeError(f"Expected an instance of _CurrentCollector. Provided: {type(value)}.")
+
+    @staticmethod
+    def validate_active_material(value: Type) -> None:
+        """
+        Validate that a value is an instance of _ActiveMaterial.
+        
+        Parameters
+        ----------
+        value : Type
+            The value to validate.
+
+        Raises
+        ------
+        TypeError
+            If the value is not an instance of _ActiveMaterial.
+        """
+        from steer_materials.CellMaterials.Electrode import _ActiveMaterial
+
+        if not isinstance(value, _ActiveMaterial):
+            raise TypeError(f"Expected an instance of _ActiveMaterial. Provided: {type(value)}.")
+
+    @staticmethod
+    def validate_binder(value: Type) -> None:
+        """
+        Validate that a value is an instance of Binder.
+        
+        Parameters
+        ----------
+        value : Type
+            The value to validate.
+
+        Raises
+        ------
+        TypeError
+            If the value is not an instance of Binder.
+        """
+        from steer_materials.CellMaterials.Electrode import Binder
+
+        if not isinstance(value, Binder):
+            raise TypeError(f"Expected an instance of Binder. Provided: {type(value)}.")
+        
+    @staticmethod
+    def validate_conductive_additive(value: Type) -> None:
+        """
+        Validate that a value is an instance of ConductiveAdditive.
+        
+        Parameters
+        ----------
+        value : Type
+            The value to validate.
+
+        Raises
+        ------
+        TypeError
+            If the value is not an instance of ConductiveAdditive.
+        """
+        from steer_materials.CellMaterials.Electrode import ConductiveAdditive
+
+        if not isinstance(value, ConductiveAdditive):
+            raise TypeError(f"Expected an instance of ConductiveAdditive. Provided: {type(value)}.")
+
+    @staticmethod
+    def validate_percentage(value: float, name: str) -> None:
+        """
+        Validate that a value is a percentage (between 0 and 100).
+
+        Parameters
+        ----------
+        value : float
+            The value to validate.
+        name : str
+            The name of the parameter for error messages.
+
+        Raises
+        ------
+        ValueError
+            If the value is not a percentage.
+        """
+        if not isinstance(value, (int, float)):
+            raise TypeError(f"{name} must be a number. Provided: {value}.")
+
+        if not (0 <= value <= 100):
+            raise ValueError(f"{name} must be a percentage between 0 and 100. Provided: {value}.")
+
+    @staticmethod
+    def validate_fraction(value: float, name: str) -> None:
+        """
+        Validate that a value is a fraction (between 0 and 1).
+
+        Parameters
+        ----------
+        value : float
+            The value to validate.
+        name : str
+            The name of the parameter for error messages.
+
+        Raises
+        ------
+        ValueError
+            If the value is not a fraction.
+        """
+        if not (0 <= value <= 1):
+            raise ValueError(f"{name} must be a fraction between 0 and 1. Provided: {value}.")
+
+    @staticmethod
+    def validate_pandas_dataframe(
+        df: pd.DataFrame, 
+        name: str,
+        column_names: list = None
+    ) -> None:
+        """
+        Validate that the input is a pandas DataFrame.
+
+        Parameters
+        ----------
+        df : pd.DataFrame
+            The DataFrame to validate.
+        name : str
+            The name of the DataFrame for error messages.
+
+        Raises
+        ------
+        TypeError
+            If the input is not a pandas DataFrame.
+        """
+        if not isinstance(df, pd.DataFrame):
+            raise TypeError(f"{name} must be a pandas DataFrame. Provided: {type(df)}.")
+
+        if column_names is not None:
+            missing_columns = [col for col in column_names if col not in df.columns]
+            if missing_columns:
+                raise ValueError(f"{name} is missing required columns: {missing_columns}. "
+                                 f"Available columns: {df.columns.tolist()}.")
+
+    @staticmethod
+    def validate_electrochemical_reference(reference: str) -> None:
+        """
+        Validate the electrochemical reference electrode.
+
+        Parameters
+        ----------
+        reference : str
+            The reference electrode to validate.
+
+        Raises
+        ------
+        ValueError
+            If the reference is not a valid electrochemical reference.
+        """
+        ValidationMixin.validate_string(reference, "Electrochemical reference")
+
+        if reference not in ALLOWED_REFERENCE:
+            raise ValueError(f"Invalid electrochemical reference: {reference}. "
+                             f"Must be one of {ALLOWED_REFERENCE}.")
+
+    @staticmethod
+    def validate_datum(datum: np.ndarray) -> None:
+        """
+        Validate the datum point for extrusion.
+
+        Parameters
+        ----------
+        datum : np.ndarray
+            Datum point for extrusion (shape (3,))
+
+        Raises
+        ------
+        ValueError
+            If the datum does not have exactly 3 coordinates.
+        """
+        if type(datum) is not tuple and len(datum) != 3:
+            raise ValueError("Datum must be a 3D point with exactly 3 coordinates.")
+        
+        if not all(isinstance(coord, (int, float)) for coord in datum):
+            raise TypeError("All coordinates in datum must be numbers.")
+    
+    @staticmethod
+    def validate_current_collector_material(material: Type) -> None:
+        """
+        Validate the current collector material.
+
+        Parameters
+        ----------
+        material : str
+            The material to validate.
+
+        Raises
+        ------
+        ValueError
+            If the material is not a valid current collector material.
+        """
+        from steer_materials.CellMaterials.Base import CurrentCollectorMaterial
+
+        if type(material) is not CurrentCollectorMaterial:
+
+            raise ValueError(f"Invalid current collector material: {material}. "
+                             "Must be an instance of CurrentCollectorMaterial.")
+
+    @staticmethod
+    def validate_weld_tab(tab) -> None:
+        """
+        Validate the weld tab.
+
+        Parameters
+        ----------
+        tab : WeldTab
+            The weld tab to validate.
+
+        Raises
+        ------
+        ValueError
+            If the weld tab is not valid.
+        """
+        from steer_opencell_design.Components.CurrentCollectors import WeldTab
+        
+        if not isinstance(tab, WeldTab):
+            raise ValueError(f"Invalid weld tab: {tab}. Must be an instance of WeldTab.")
+
+    @staticmethod
+    def validate_positive_float(value: float, name: str) -> None:
+        """
+        Validate that a value is a positive float.
+
+        Parameters
+        ----------
+        value : float
+            The value to validate.
+        name : str
+            The name of the parameter for error messages.
+
+        Raises
+        ------
+        ValueError
+            If the value is not a positive float.
+        """
+        if not isinstance(value, (int, float)):
+            raise ValueError(f"{name} must be a positive float. Provided: {value}.")
+        
+    @staticmethod
+    def validate_string(value: str, name: str) -> None:
+        """
+        Validate that a value is a string.
+
+        Parameters
+        ----------
+        value : str
+            The value to validate.
+        name : str
+            The name of the parameter for error messages.
+
+        Raises
+        ------
+        TypeError
+            If the value is not a string.
+        """
+        if not isinstance(value, str):
+            raise TypeError(f"{name} must be a string. Provided: {value}.")
+        
+    @staticmethod
+    def validate_two_iterable_of_floats(value: tuple, name: str) -> None:
+        """
+        Validate that a value is a tuple of two iterables.
+
+        Parameters
+        ----------
+        value : tuple
+            The value to validate.
+        name : str
+            The name of the parameter for error messages.
+
+        Raises
+        ------
+        TypeError
+            If the value is not a tuple of two floats.
+        """
+        # Accept both tuples and lists
+        if not isinstance(value, (tuple, list)) or len(value) != 2:
+            raise TypeError(f"{name} must be a tuple or list of two numbers. Provided: {value}.")
+        
+        # Check if all values are numeric (int or float)
+        if not all(isinstance(v, (int, float)) for v in value):
+            raise TypeError(f"{name} must be a tuple or list of two numbers. Provided: {value}.")
+        
+        # Check if all values are non-negative
+        if not all(v >= 0 for v in value):
+            raise ValueError(f"{name} must be a tuple or list of two non-negative numbers. Provided: {value}.")
+        
+    @staticmethod
+    def validate_positive_float_list(value: list, name: str) -> None:
+        """
+        Validate that a value is a list of positive floats.
+
+        Parameters
+        ----------
+        value : list
+            The value to validate.
+        name : str
+            The name of the parameter for error messages.
+
+        Raises
+        ------
+        TypeError
+            If the value is not a list of positive floats.
+        """
+        if not isinstance(value, list) or not all(isinstance(v, (int, float)) and v > 0 for v in value):
+            raise TypeError(f"{name} must be a list of positive floats. Provided: {value}.")
+        
+        if len(value) == 0:
+            raise ValueError(f"{name} must not be an empty list. Provided: {value}.")
+        
+
+class DataMixin:
+    """
+    A mixin class to handle data processing and validation for electrode materials.
+    Provides methods to calculate properties, check curve directions, and process half-cell curves.
+    """
+    @staticmethod
+    def enforce_monotonicity(array: np.ndarray) -> np.ndarray:
+        """
+        Enforces a monotonic version of the input array.
+        If the array is not monotonic, it is smoothed using cumulative max/min.
+        """
+        x = np.arange(len(array))
+        diff = np.diff(array)
+
+        if np.all(diff >= 0):
+            return array  # Already monotonic increasing
+
+        if np.all(diff <= 0):
+            return array  # Already monotonic decreasing, reverse it
+
+        # Determine general trend (ascending or descending)
+        ascending = array[-1] >= array[0]
+
+        # Sort by x so that PCHIP works (PCHIP requires increasing x)
+        # We'll smooth the array using PCHIP, then enforce monotonicity
+        interpolator = PchipInterpolator(x, array, extrapolate=False)
+        new_array = interpolator(x)
+
+        # Enforce strict monotonicity post-smoothing
+        if ascending:
+            new_array = np.maximum.accumulate(new_array)
+        else:
+            new_array = np.minimum.accumulate(new_array)
+
+        return new_array

steer_core/__init__.py

@@ -0,0 +1 @@
+__version__ = "0.1.1"

steer_core-0.1.1.dist-info/METADATA

@@ -0,0 +1,29 @@
+Metadata-Version: 2.4
+Name: steer-core
+Version: 0.1.1
+Summary: Modelling energy storage from cell to site - STEER OpenCell Design
+Home-page: https://github.com/nicholas9182/steer-core/
+Author: Nicholas Siemons
+Author-email: nsiemons@stanford.edu
+Classifier: Programming Language :: Python :: 3
+Classifier: License :: OSI Approved :: MIT License
+Classifier: Operating System :: OS Independent
+Requires-Python: >=3.10
+Requires-Dist: pandas
+Requires-Dist: numpy
+Requires-Dist: datetime
+Requires-Dist: scipy
+Requires-Dist: shapely
+Requires-Dist: plotly
+Requires-Dist: dash
+Requires-Dist: dash_bootstrap_components
+Requires-Dist: flask_caching
+Requires-Dist: nbformat
+Requires-Dist: scipy
+Dynamic: author
+Dynamic: author-email
+Dynamic: classifier
+Dynamic: home-page
+Dynamic: requires-dist
+Dynamic: requires-python
+Dynamic: summary

steer_core-0.1.1.dist-info/RECORD

@@ -0,0 +1,21 @@
+steer_core/DataManager.py,sha256=r9AmA1Aqmjk66xrUp03GFdVbp0ChFod6NmonUr8SGOw,11094
+steer_core/__init__.py,sha256=rnObPjuBcEStqSO0S6gsdS_ot8ITOQjVj_-P1LUUYpg,22
+steer_core/Constants/Units.py,sha256=Bdlv_APY2-kbKva3FW4jA0srTbavqAumrEaaQ6HNKuU,489
+steer_core/Constants/Universal.py,sha256=5FWdrex5NiI2DResDmwO7GIvGN2B0DNtdlG1l-ysDh8,41
+steer_core/Constants/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
+steer_core/ContextManagers/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
+steer_core/Decorators/Coordinates.py,sha256=qo79PlA8ZZ6QY-VvH9YGg27gqpVJ2-Xa3blyoQVCp7A,1436
+steer_core/Decorators/Electrochemical.py,sha256=fAy89aw3zspBu_8UPa5kEhUpvO-bYpM0xH1r6O6mSiA,985
+steer_core/Decorators/General.py,sha256=-Wu-kTC9JAokicgt_nvANR7zpbCBPNR1kDmY6jzHfy4,966
+steer_core/Decorators/Objects.py,sha256=xiQfFgyTY2k8MF4lWojHMWbUMzojpyt8fRGl5bTNze8,503
+steer_core/Decorators/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
+steer_core/Mixins/Colors.py,sha256=rJnXyUb9hdy3SkzrPV9dXvnBFZ1funYRF8Q0EZr3vZA,1152
+steer_core/Mixins/Coordinates.py,sha256=L5-OqG30lpqLjJd4SDhSxF_W2G4q5vsLMFfxTZjNzcg,12937
+steer_core/Mixins/Data.py,sha256=wdNedZHS5Q7B-pCIoEbqTWMcxsC91CVn9pbQ2Zszg3w,1363
+steer_core/Mixins/Serializer.py,sha256=x-aX8BcFSh5egZdkKinYMmIHLqZymCnETNUld3hzgnk,1039
+steer_core/Mixins/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
+steer_core/Mixins/validators.py,sha256=VmWmv1M8YqTzaIyc95TOvNEJScG7o8rQezQNor84DEc,12933
+steer_core-0.1.1.dist-info/METADATA,sha256=4egl0gBt2R3wB1iMjWWkUYhZKH8647UiJjseU0zAfTo,826
+steer_core-0.1.1.dist-info/WHEEL,sha256=_zCd3N1l69ArxyTb8rzEoP9TpbYXkqRFSNOD5OuxnTs,91
+steer_core-0.1.1.dist-info/top_level.txt,sha256=6LFpGCSDE_SqRoT7raeM3Ax7KTBKQnyXLXxM9kXtw5M,11
+steer_core-0.1.1.dist-info/RECORD,,

steer_core-0.1.1.dist-info/WHEEL

@@ -0,0 +1,5 @@
+Wheel-Version: 1.0
+Generator: setuptools (80.9.0)
+Root-Is-Purelib: true
+Tag: py3-none-any
+

steer_core-0.1.1.dist-info/top_level.txt

@@ -0,0 +1 @@
+steer_core