Convert neoclassics vars to dataclass

process/core/init.py

@@ -19,7 +19,6 @@
 from process.data_structure.impurity_radiation_module import (
     init_impurity_radiation_module,
 )
-from process.data_structure.neoclassics_variables import init_neoclassics_variables
 from process.data_structure.physics_variables import (
     init_physics_module,
     init_physics_variables,
@@ -250,7 +249,6 @@ def init_all_module_vars():
     init_tfcoil_variables()
     constants.init_constants()
     init_rebco_variables()
-    init_neoclassics_variables()
 
 
 def check_process(inputs, data):  # noqa: ARG001

process/core/model.py

@@ -16,6 +16,7 @@
 from process.data_structure.fwbs_variables import FWBSData
 from process.data_structure.heat_transport_variables import HeatTransportData
 from process.data_structure.ife_variables import IFEData
+from process.data_structure.neoclassics_variables import NeoclassicsData
 from process.data_structure.pf_power_variables import PFPowerData
 from process.data_structure.pfcoil_variables import PFCoilData
 from process.data_structure.power_variables import PowerData
@@ -61,6 +62,7 @@ class DataStructure:
     stellarator: StellaratorData = initialise_later
     stellarator_config: StellaratorConfigData = initialise_later
     pf_power: PFPowerData = initialise_later
+    neoclassics: NeoclassicsData = initialise_later
 
     def __post_init__(self):
         for f in fields(self):

process/data_structure/neoclassics_variables.py

@@ -4,128 +4,85 @@
 Beidler (2013), https://doi.org/10.1088/0029-5515/51/7/076001
 """
 
+from dataclasses import dataclass, field
+
 import numpy as np
 
 NO_ROOTS = 30
 """Number of Gauss laguerre roots"""
 
-densities: list[float] = None
-"""Densities of the species that are considered [/m3]"""
 
-temperatures: list[float] = None
-"""Temperature of the species that are considered [J]"""
+@dataclass
+class NeoclassicsData:
+    densities: list[float] = field(default_factory=lambda: np.zeros(4))
+    """Densities of the species that are considered [/m3]"""
 
-dr_densities: list[float] = None
-"""Radial derivative of the density of the species [/m3]"""
+    temperatures: list[float] = field(default_factory=lambda: np.zeros(4))
+    """Temperature of the species that are considered [J]"""
 
-dr_temperatures: list[float] = None
-"""Radial derivative of the temperature of the species [J]"""
+    dr_densities: list[float] = field(default_factory=lambda: np.zeros(4))
+    """Radial derivative of the density of the species [/m3]"""
 
-roots: list[float] = None
-"""Gauss Laguerre Roots"""
+    dr_temperatures: list[float] = field(default_factory=lambda: np.zeros(4))
+    """Radial derivative of the temperature of the species [J]"""
 
-weights: list[float] = None
-"""Gauss Laguerre Weights"""
+    roots: list[float] = field(default_factory=lambda: np.zeros(NO_ROOTS))
+    """Gauss Laguerre Roots"""
 
-nu: list[float] = None
-"""90-degree deflection frequency on GL roots"""
+    weights: list[float] = field(default_factory=lambda: np.zeros(NO_ROOTS))
+    """Gauss Laguerre Weights"""
 
-nu_star: list[float] = None
-"""Dimensionless deflection frequency"""
+    nu: list[float] = field(default_factory=lambda: np.zeros((4, NO_ROOTS)))
+    """90-degree deflection frequency on GL roots"""
 
-nu_star_averaged: list[float] = None
-"""Maxwellian averaged dimensionless 90-degree deflection frequency for electrons (index 1) and ions (index 2)"""
+    nu_star: list[float] = field(default_factory=lambda: np.zeros((4, NO_ROOTS)))
+    """Dimensionless deflection frequency"""
 
-vd: list[float] = None
-"""Drift velocity on GL roots"""
+    nu_star_averaged: list[float] = field(default_factory=lambda: np.zeros(4))
+    """Maxwellian averaged dimensionless 90-degree deflection frequency for electrons (index 1) and ions (index 2)"""
 
-kt: list[float] = None
-"""Thermal energy on GL roots"""
+    vd: list[float] = field(default_factory=lambda: np.zeros((4, NO_ROOTS)))
+    """Drift velocity on GL roots"""
 
-er: float = None
-"""Radial electrical field [V/m]"""
+    kt: list[float] = field(default_factory=lambda: np.zeros((4, NO_ROOTS)))
+    """Thermal energy on GL roots"""
 
-iota: float = None
-"""Iota (1/safety factor)"""
+    er: float = 0.0
+    """Radial electrical field [V/m]"""
 
-d11_mono: list[float] = None
-"""Radial monoenergetic transport coefficient on GL roots (species dependent)"""
+    iota: float = 1.0
+    """Iota (1/safety factor)"""
+
+    d11_mono: list[float] = field(default_factory=lambda: np.zeros((4, NO_ROOTS)))
+    """Radial monoenergetic transport coefficient on GL roots (species dependent)"""
+
+    d11_plateau: list[float] = field(default_factory=lambda: np.zeros((4, NO_ROOTS)))
+    """Toroidal monoenergetic transport coefficient as given by the stellarator
+    input json file as function of nu_star, normalised by the banana value.
+    """
+
+    d111: list[float] = field(default_factory=lambda: np.zeros(4))
+    """Radial integrated transport coefficient (n=1) (species dependent)"""
+
+    d112: list[float] = field(default_factory=lambda: np.zeros(4))
+    """Radial integrated transport coefficient (n=2) (species dependent)"""
+
+    d113: list[float] = field(default_factory=lambda: np.zeros(4))
+    """Radial integrated transport coefficient (n=3) (species dependent)"""
+
+    q_flux: list[float] = field(default_factory=lambda: np.zeros(4))
+    """energy transport flux (J/m2)"""
+
+    gamma_flux: list[float] = field(default_factory=lambda: np.zeros(4))
+    """energy flux from particle transport"""
+
+    d31_mono: list[float] = field(default_factory=lambda: np.zeros(NO_ROOTS))
+    """Toroidal monoenergetic transport coefficient"""
+
+    eps_eff: float = 1e-5
+    """Epsilon effective (used in neoclassics_calc_D11_mono)"""
+
+    r_eff: float = 0.0
 
-d11_plateau: list[float] = None
-"""Toroidal monoenergetic transport coefficient as given by the stellarator
-input json file as function of nu_star, normalised by the banana value.
-"""
 
-d111: list[float] = None
-"""Radial integrated transport coefficient (n=1) (species dependent)"""
-
-d112: list[float] = None
-"""Radial integrated transport coefficient (n=2) (species dependent)"""
-
-d113: list[float] = None
-"""Radial integrated transport coefficient (n=3) (species dependent)"""
-
-q_flux: list[float] = None
-"""energy transport flux (J/m2)"""
-
-gamma_flux: list[float] = None
-"""energy flux from particle transport"""
-
-d31_mono: list[float] = None
-"""Toroidal monoenergetic transport coefficient"""
-
-eps_eff: float = None
-"""Epsilon effective (used in neoclassics_calc_D11_mono)"""
-
-r_eff: float = None
-
-
-def init_neoclassics_variables():
-    global \
-        densities, \
-        temperatures, \
-        dr_densities, \
-        dr_temperatures, \
-        roots, \
-        weights, \
-        nu, \
-        nu_star, \
-        nu_star_averaged, \
-        vd, \
-        kt, \
-        er, \
-        iota, \
-        d11_mono, \
-        d11_plateau, \
-        d111, \
-        d112, \
-        d113, \
-        q_flux, \
-        gamma_flux, \
-        d31_mono, \
-        eps_eff, \
-        r_eff
-
-    densities = np.zeros(4)
-    temperatures = np.zeros(4)
-    dr_densities = np.zeros(4)
-    dr_temperatures = np.zeros(4)
-    roots = np.zeros(NO_ROOTS)
-    weights = np.zeros(NO_ROOTS)
-    nu = np.zeros((4, NO_ROOTS))
-    nu_star = np.zeros((4, NO_ROOTS))
-    nu_star_averaged = np.zeros(4)
-    vd = np.zeros((4, NO_ROOTS))
-    kt = np.zeros((4, NO_ROOTS))
-    iota = 1.0
-    d11_mono = np.zeros((4, NO_ROOTS))
-    d11_plateau = np.zeros((4, NO_ROOTS))
-    d111 = np.zeros(4)
-    d112 = np.zeros(4)
-    d113 = np.zeros(4)
-    q_flux = np.zeros(4)
-    gamma_flux = np.zeros(4)
-    d31_mono = np.zeros(NO_ROOTS)
-    eps_eff = 1e-5
-    r_eff = 0.0
-    er = 0.0
+CREATE_DICTS_FROM_DATACLASS = NeoclassicsData