diff --git a/src/pymatlib/core/interpolators.py b/src/pymatlib/core/interpolators.py
index e83415d14c796785cc09233d0dcc2a8add6a7602..f41df0e2a9705628c7e1b5311825cfd46a8e6bd6 100644
--- a/src/pymatlib/core/interpolators.py
+++ b/src/pymatlib/core/interpolators.py
@@ -13,7 +13,54 @@ COUNT = 0
class InterpolationArrayContainer(CustomGenerator):
+ """Container for energy-temperature interpolation arrays and methods.
+
+ This class stores temperature and energy density arrays and generates C++ code
+ for efficient bilateral conversion between these properties. It supports both
+ binary search interpolation (O(log n)) and double lookup interpolation (O(1))
+ with automatic method selection based on data characteristics.
+
+ Attributes:
+ name (str): Name for the generated C++ class.
+ T_array (np.ndarray): Array of temperature values (must be monotonically increasing).
+ E_array (np.ndarray): Array of energy density values corresponding to T_array.
+ method (str): Interpolation method selected ("binary_search" or "double_lookup").
+ T_bs (np.ndarray): Temperature array prepared for binary search.
+ E_bs (np.ndarray): Energy array prepared for binary search.
+ has_double_lookup (bool): Whether double lookup interpolation is available.
+
+ If has_double_lookup is True, the following attributes are also available:
+ T_eq (np.ndarray): Equidistant temperature array for double lookup.
+ E_neq (np.ndarray): Non-equidistant energy array for double lookup.
+ E_eq (np.ndarray): Equidistant energy array for double lookup.
+ inv_delta_E_eq (float): Inverse of the energy step size for double lookup.
+ idx_map (np.ndarray): Index mapping array for double lookup.
+
+ Examples:
+ >>> import numpy as np
+ >>> from pystencils_sfg import SfgComposer
+ >>> from pymatlib.core.interpolators import InterpolationArrayContainer
+ >>>
+ >>> # Create temperature and energy arrays
+ >>> T = np.array([300, 600, 900, 1200], dtype=np.float64)
+ >>> E = np.array([1e9, 2e9, 3e9, 4e9], dtype=np.float64)
+ >>>
+ >>> # Create and generate the container
+ >>> with SfgComposer() as sfg:
+ >>> container = InterpolationArrayContainer("MyMaterial", T, E)
+ >>> sfg.generate(container)
+ """
def __init__(self, name: str, temperature_array: np.ndarray, energy_density_array: np.ndarray):
+ """Initialize the interpolation container.
+ Args:
+ name (str): Name for the generated C++ class.
+ temperature_array (np.ndarray): Array of temperature values (K).
+ Must be monotonically increasing.
+ energy_density_array (np.ndarray): Array of energy density values (J/m³)
+ corresponding to temperature_array.
+ Raises:
+ ValueError: If arrays are empty, have different lengths, or are not monotonic.
+ """
super().__init__()
self.name = name
self.T_array = temperature_array
@@ -40,19 +87,29 @@ class InterpolationArrayContainer(CustomGenerator):
@classmethod
def from_material(cls, name: str, material):
+ """Create an interpolation container from a material object.
+ Args:
+ name (str): Name for the generated C++ class.
+ material: Material object with temperature and energy properties.
+ Must have energy_density_temperature_array and energy_density_array attributes.
+ Returns:
+ InterpolationArrayContainer: Container with arrays for interpolation.
+ """
return cls(name, material.energy_density_temperature_array, material.energy_density_array)
- def generate(self, sfg: SfgComposer):
- sfg.include("<array>")
- sfg.include("pymatlib_interpolators/interpolate_binary_search_cpp.h")
-
- # Binary search arrays (always included)
+ def _generate_binary_search(self, sfg: SfgComposer):
+ """Generate code for binary search interpolation.
+ Args:
+ sfg (SfgComposer): Source file generator composer.
+ Returns:
+ list: List of public members for the C++ class.
+ """
T_bs_arr_values = ", ".join(str(v) for v in self.T_bs)
E_bs_arr_values = ", ".join(str(v) for v in self.E_bs)
E_target = sfg.var("E_target", "double")
- public_members = [
+ return [
# Binary search arrays
f"static constexpr std::array< double, {self.T_bs.shape[0]} > T_bs {{ {T_bs_arr_values} }}; \n"
f"static constexpr std::array< double, {self.E_bs.shape[0]} > E_bs {{ {E_bs_arr_values} }}; \n",
@@ -63,30 +120,56 @@ class InterpolationArrayContainer(CustomGenerator):
)
]
+ def _generate_double_lookup(self, sfg: SfgComposer):
+ """Generate code for double lookup interpolation.
+ Args:
+ sfg (SfgComposer): Source file generator composer.
+ Returns:
+ list: List of public members for the C++ class.
+ """
+ if not self.has_double_lookup:
+ return []
+
+ T_eq_arr_values = ", ".join(str(v) for v in self.T_eq)
+ E_neq_arr_values = ", ".join(str(v) for v in self.E_neq)
+ E_eq_arr_values = ", ".join(str(v) for v in self.E_eq)
+ idx_mapping_arr_values = ", ".join(str(v) for v in self.idx_map)
+
+ E_target = sfg.var("E_target", "double")
+
+ return [
+ # Double lookup arrays
+ f"static constexpr std::array< double, {self.T_eq.shape[0]} > T_eq {{ {T_eq_arr_values} }}; \n"
+ f"static constexpr std::array< double, {self.E_neq.shape[0]} > E_neq {{ {E_neq_arr_values} }}; \n"
+ f"static constexpr std::array< double, {self.E_eq.shape[0]} > E_eq {{ {E_eq_arr_values} }}; \n"
+ f"static constexpr double inv_delta_E_eq = {self.inv_delta_E_eq}; \n"
+ f"static constexpr std::array< int, {self.idx_map.shape[0]} > idx_map {{ {idx_mapping_arr_values} }}; \n",
+
+ # Double lookup method
+ sfg.method("interpolateDL", returns=PsCustomType("[[nodiscard]] double"), inline=True, const=True)(
+ sfg.expr("return interpolate_double_lookup_cpp({}, *this);", E_target)
+ )
+ ]
+
+ def generate(self, sfg: SfgComposer):
+ """Generate C++ code for the interpolation container.
+ This method generates a C++ class with the necessary arrays and methods
+ for temperature-energy interpolation.
+ Args:
+ sfg (SfgComposer): Source file generator composer.
+ """
+ sfg.include("<array>")
+ sfg.include("pymatlib_interpolators/interpolate_binary_search_cpp.h")
+
+ public_members = self._generate_binary_search(sfg)
+
# Add double lookup if available
if self.has_double_lookup:
sfg.include("pymatlib_interpolators/interpolate_double_lookup_cpp.h")
-
- T_eq_arr_values = ", ".join(str(v) for v in self.T_eq)
- E_neq_arr_values = ", ".join(str(v) for v in self.E_neq)
- E_eq_arr_values = ", ".join(str(v) for v in self.E_eq)
- idx_mapping_arr_values = ", ".join(str(v) for v in self.idx_map)
-
- public_members.extend([
- # Double lookup arrays
- f"static constexpr std::array< double, {self.T_eq.shape[0]} > T_eq {{ {T_eq_arr_values} }}; \n"
- f"static constexpr std::array< double, {self.E_neq.shape[0]} > E_neq {{ {E_neq_arr_values} }}; \n"
- f"static constexpr std::array< double, {self.E_eq.shape[0]} > E_eq {{ {E_eq_arr_values} }}; \n"
- f"static constexpr double inv_delta_E_eq = {self.inv_delta_E_eq}; \n"
- f"static constexpr std::array< int, {self.idx_map.shape[0]} > idx_map {{ {idx_mapping_arr_values} }}; \n",
-
- # Double lookup method
- sfg.method("interpolateDL", returns=PsCustomType("[[nodiscard]] double"), inline=True, const=True)(
- sfg.expr("return interpolate_double_lookup_cpp({}, *this);", E_target)
- )
- ])
+ public_members.extend(self._generate_double_lookup(sfg))
# Add interpolate method that uses recommended approach
+ E_target = sfg.var("E_target", "double")
if self.has_double_lookup:
public_members.append(
sfg.method("interpolate", returns=PsCustomType("[[nodiscard]] double"), inline=True, const=True)(