Move data structure to its own file

process/core/caller.py

@@ -22,7 +22,7 @@
 from process.models.tfcoil.superconducting import SuperconductingTFTurnType
 
 if TYPE_CHECKING:
-    from process.core.model import DataStructure
+    from process.core.data_structure.base import DataStructure
     from process.main import Models
 
 logger = logging.getLogger(__name__)

process/core/data_structure/__init__.py

@@ -0,0 +1 @@
+"""Contains classes related to the PROCESS data structure."""

process/core/data_structure/base.py

@@ -0,0 +1,92 @@
+"""The PROCESS data structure dataclass."""
+
+from dataclasses import dataclass, fields
+
+from process.data_structure.blanket_variables import BlanketData
+from process.data_structure.build_variables import BuildData
+from process.data_structure.buildings_variables import BuildingsData
+from process.data_structure.ccfe_hcpb_variables import CCFEHCPBData
+from process.data_structure.constraint_variables import ConstraintData
+from process.data_structure.cost_2015_variables import Cost2015Data
+from process.data_structure.cost_variables import CostData
+from process.data_structure.cs_fatigue_variables import CSFatigueData
+from process.data_structure.current_drive_variables import CurrentDriveData
+from process.data_structure.dcll_variables import DCLLData
+from process.data_structure.divertor_variables import DivertorData
+from process.data_structure.first_wall_variables import FirstWallData
+from process.data_structure.fwbs_variables import FWBSData
+from process.data_structure.global_variables import GlobalData
+from process.data_structure.heat_transport_variables import HeatTransportData
+from process.data_structure.ife_variables import IFEData
+from process.data_structure.impurity_radiation_variables import ImpurityRadiationData
+from process.data_structure.neoclassics_variables import NeoclassicsData
+from process.data_structure.numerics import NumericsData
+from process.data_structure.pf_power_variables import PFPowerData
+from process.data_structure.pfcoil_variables import PFCoilData
+from process.data_structure.physics_variables import PhysicsData
+from process.data_structure.power_variables import PowerData
+from process.data_structure.primary_pumping_variables import PrimaryPumpingData
+from process.data_structure.pulse_variables import PulseData
+from process.data_structure.rebco_variables import RebcoData
+from process.data_structure.reinke_variables import ReinkeData
+from process.data_structure.scan_variables import ScanData
+from process.data_structure.stellarator_configuration import StellaratorConfigData
+from process.data_structure.stellarator_variables import StellaratorData
+from process.data_structure.structure_variables import StructureData
+from process.data_structure.superconducting_tf_coil_variables import (
+    SuperconductingTFData,
+)
+from process.data_structure.tfcoil_variables import TFData
+from process.data_structure.times_variables import TimesData
+from process.data_structure.vacuum_variables import VacuumData
+from process.data_structure.water_usage_variables import WaterUseData
+
+initialise_later = object()
+
+
+@dataclass(kw_only=True)
+class DataStructure:
+    """Dataclass holding the data structure"""
+
+    water_use: WaterUseData = initialise_later
+    costs_2015: Cost2015Data = initialise_later
+    cs_fatigue: CSFatigueData = initialise_later
+    vacuum: VacuumData = initialise_later
+    costs: CostData = initialise_later
+    first_wall: FirstWallData = initialise_later
+    fwbs: FWBSData = initialise_later
+    blanket: BlanketData = initialise_later
+    structure: StructureData = initialise_later
+    times: TimesData = initialise_later
+    reinke: ReinkeData = initialise_later
+    ccfe_hcpb: CCFEHCPBData = initialise_later
+    pulse: PulseData = initialise_later
+    build: BuildData = initialise_later
+    primary_pumping: PrimaryPumpingData = initialise_later
+    buildings: BuildingsData = initialise_later
+    constraints: ConstraintData = initialise_later
+    dcll: DCLLData = initialise_later
+    current_drive: CurrentDriveData = initialise_later
+    heat_transport: HeatTransportData = initialise_later
+    ife: IFEData = initialise_later
+    divertor: DivertorData = initialise_later
+    pf_coil: PFCoilData = initialise_later
+    power: PowerData = initialise_later
+    stellarator: StellaratorData = initialise_later
+    stellarator_config: StellaratorConfigData = initialise_later
+    pf_power: PFPowerData = initialise_later
+    neoclassics: NeoclassicsData = initialise_later
+    impurity_radiation: ImpurityRadiationData = initialise_later
+    physics: PhysicsData = initialise_later
+    rebco: RebcoData = initialise_later
+    tfcoil: TFData = initialise_later
+    superconducting_tfcoil: SuperconductingTFData = initialise_later
+    globals: GlobalData = initialise_later
+    scan: ScanData = initialise_later
+    numerics: NumericsData = initialise_later
+
+    def __post_init__(self):
+        """Set up the data structure"""
+        for f in fields(self):
+            if getattr(self, f.name) is initialise_later:
+                setattr(self, f.name, f.type())

process/core/init.py

@@ -49,7 +49,7 @@
 
 logger = logging.getLogger(__name__)
 if TYPE_CHECKING:
-    from process.core.model import DataStructure
+    from process.core.data_structure.base import DataStructure
 
 
 def init_process(data: DataStructure):

process/core/input.py

@@ -23,7 +23,7 @@
 if TYPE_CHECKING:
     from collections.abc import Callable
 
-    from process.core.model import DataStructure
+    from process.core.data_structure.base import DataStructure
 
 NumberType = int | float
 ValidInputTypes = NumberType | str

process/core/io/mfile/base.py

@@ -13,7 +13,7 @@
 
 import numpy as np
 
-from process.core.model import DataStructure
+from process.core.data_structure.base import DataStructure
 from process.core.solver import iteration_variables
 
 logger = logging.getLogger(__name__)

process/core/io/vary_run/config.py

@@ -13,6 +13,7 @@
 import click
 from numpy.random import default_rng
 
+from process.core.data_structure.base import DataStructure
 from process.core.io.in_dat import InDat
 from process.core.io.mfile import MFile
 from process.core.io.vary_run.tools import (
@@ -25,7 +26,6 @@
     process_warnings,
     set_variable_in_indat,
 )
-from process.core.model import DataStructure
 from process.data_structure.numerics import SolverOutputCondition
 
 logger = logging.getLogger(__name__)

process/core/model.py

@@ -1,96 +1,12 @@
 """Module containing routines to set up the data structure and models"""
 
-import abc
-from dataclasses import dataclass, fields
-
-from process.data_structure.blanket_variables import BlanketData
-from process.data_structure.build_variables import BuildData
-from process.data_structure.buildings_variables import BuildingsData
-from process.data_structure.ccfe_hcpb_variables import CCFEHCPBData
-from process.data_structure.constraint_variables import ConstraintData
-from process.data_structure.cost_2015_variables import Cost2015Data
-from process.data_structure.cost_variables import CostData
-from process.data_structure.cs_fatigue_variables import CSFatigueData
-from process.data_structure.current_drive_variables import CurrentDriveData
-from process.data_structure.dcll_variables import DCLLData
-from process.data_structure.divertor_variables import DivertorData
-from process.data_structure.first_wall_variables import FirstWallData
-from process.data_structure.fwbs_variables import FWBSData
-from process.data_structure.global_variables import GlobalData
-from process.data_structure.heat_transport_variables import HeatTransportData
-from process.data_structure.ife_variables import IFEData
-from process.data_structure.impurity_radiation_variables import ImpurityRadiationData
-from process.data_structure.neoclassics_variables import NeoclassicsData
-from process.data_structure.numerics import NumericsData
-from process.data_structure.pf_power_variables import PFPowerData
-from process.data_structure.pfcoil_variables import PFCoilData
-from process.data_structure.physics_variables import PhysicsData
-from process.data_structure.power_variables import PowerData
-from process.data_structure.primary_pumping_variables import PrimaryPumpingData
-from process.data_structure.pulse_variables import PulseData
-from process.data_structure.rebco_variables import RebcoData
-from process.data_structure.reinke_variables import ReinkeData
-from process.data_structure.scan_variables import ScanData
-from process.data_structure.stellarator_configuration import StellaratorConfigData
-from process.data_structure.stellarator_variables import StellaratorData
-from process.data_structure.structure_variables import StructureData
-from process.data_structure.superconducting_tf_coil_variables import (
-    SuperconductingTFData,
-)
-from process.data_structure.tfcoil_variables import TFData
-from process.data_structure.times_variables import TimesData
-from process.data_structure.vacuum_variables import VacuumData
-from process.data_structure.water_usage_variables import WaterUseData
-
-initialise_later = object()
+from __future__ import annotations
 
+import abc
+from typing import TYPE_CHECKING
 
-@dataclass(kw_only=True)
-class DataStructure:
-    """Dataclass holding the data structure"""
-
-    water_use: WaterUseData = initialise_later
-    costs_2015: Cost2015Data = initialise_later
-    cs_fatigue: CSFatigueData = initialise_later
-    vacuum: VacuumData = initialise_later
-    costs: CostData = initialise_later
-    first_wall: FirstWallData = initialise_later
-    fwbs: FWBSData = initialise_later
-    blanket: BlanketData = initialise_later
-    structure: StructureData = initialise_later
-    times: TimesData = initialise_later
-    reinke: ReinkeData = initialise_later
-    ccfe_hcpb: CCFEHCPBData = initialise_later
-    pulse: PulseData = initialise_later
-    build: BuildData = initialise_later
-    primary_pumping: PrimaryPumpingData = initialise_later
-    buildings: BuildingsData = initialise_later
-    constraints: ConstraintData = initialise_later
-    dcll: DCLLData = initialise_later
-    current_drive: CurrentDriveData = initialise_later
-    heat_transport: HeatTransportData = initialise_later
-    ife: IFEData = initialise_later
-    divertor: DivertorData = initialise_later
-    pf_coil: PFCoilData = initialise_later
-    power: PowerData = initialise_later
-    stellarator: StellaratorData = initialise_later
-    stellarator_config: StellaratorConfigData = initialise_later
-    pf_power: PFPowerData = initialise_later
-    neoclassics: NeoclassicsData = initialise_later
-    impurity_radiation: ImpurityRadiationData = initialise_later
-    physics: PhysicsData = initialise_later
-    rebco: RebcoData = initialise_later
-    tfcoil: TFData = initialise_later
-    superconducting_tfcoil: SuperconductingTFData = initialise_later
-    globals: GlobalData = initialise_later
-    scan: ScanData = initialise_later
-    numerics: NumericsData = initialise_later
-
-    def __post_init__(self):
-        """Set up the data structure"""
-        for f in fields(self):
-            if getattr(self, f.name) is initialise_later:
-                setattr(self, f.name, f.type())
+if TYPE_CHECKING:
+    from process.core.data_structure.base import DataStructure
 
 
 class Model(abc.ABC):

process/core/scan.py

@@ -22,7 +22,8 @@
 from process.models.availability import AvailabilityModel
 
 if TYPE_CHECKING:
-    from process.core.model import DataStructure, Model
+    from process.core.data_structure.base import DataStructure
+    from process.core.model import Model
 
 
 logger = logging.getLogger(__name__)

process/core/solver/constraints.py

@@ -9,8 +9,8 @@
 from tabulate import tabulate
 
 from process.core import constants, process_output
+from process.core.data_structure.base import DataStructure
 from process.core.exceptions import ProcessError, ProcessValueError
-from process.core.model import DataStructure
 from process.data_structure.build_variables import TFCSRadialConfiguration
 from process.data_structure.stellarator_variables import StellaratorModel
 from process.models.physics.density_limit import DensityLimitModel
@@ -2112,7 +2112,11 @@ def constraints_output(data: DataStructure, solver_name: str):
                     f"(ineq_symbol_con{nums.icc[i]:03d})",
                     f"'{constraint.symbol}'",
                 ),
-                ("units", f"(ineq_units_con{nums.icc[i]:03d})", f"'{constraint.units}'"),
+                (
+                    "units",
+                    f"(ineq_units_con{nums.icc[i]:03d})",
+                    f"'{constraint.units}'",
+                ),
                 (
                     "physical bound",
                     f"(ineq_bound_con{nums.icc[i]:03d})",

process/core/solver/evaluators.py

@@ -6,7 +6,7 @@
 import numpy as np
 
 from process.core.caller import Caller
-from process.core.model import DataStructure
+from process.core.data_structure.base import DataStructure
 
 logger = logging.getLogger(__name__)
 

process/core/solver/iteration_variables.py

@@ -12,7 +12,7 @@
 from process.core.exceptions import ProcessValueError
 
 if TYPE_CHECKING:
-    from process.core.model import DataStructure
+    from process.core.data_structure.base import DataStructure
 
 logger = logging.getLogger(__name__)
 

process/core/solver/objectives.py

@@ -2,8 +2,8 @@
 
 import numpy as np
 
+from process.core.data_structure.base import DataStructure
 from process.core.exceptions import ProcessValueError
-from process.core.model import DataStructure
 from process.data_structure.numerics import FiguresOfMerit
 from process.models.availability import AvailabilityModel
 

process/core/solver/solver.py

@@ -17,8 +17,8 @@
 from scipy.optimize import fsolve
 
 from process.core import constants, process_output
+from process.core.data_structure.base import DataStructure
 from process.core.exceptions import ProcessValueError
-from process.core.model import DataStructure
 from process.core.solver.evaluators import Evaluators
 from process.data_structure.numerics import SolverOutputCondition
 

process/main.py

@@ -39,13 +39,14 @@
 
 import process  # noqa: F401
 from process.core import constants, init
+from process.core.data_structure.base import DataStructure
 from process.core.io import obsolete_vars as ov
 from process.core.io.cli_tools import LazyGroup, help_opt, indat_opt
 from process.core.io.mfile import MFile
 from process.core.io.plot import plot_sankey_plotly, plot_summary
 from process.core.io.vary_run import RunProcessConfig, vary_iteration_variables
 from process.core.log import logging_model_handler, show_errors
-from process.core.model import DataStructure, Model
+from process.core.model import Model
 from process.core.process_output import OutputFileManager, oheadr
 from process.core.scan import Scan
 from process.data_structure.blanket_variables import BlktModelTypes

process/models/pfcoil.py

@@ -14,8 +14,9 @@
 
 from process.core import constants
 from process.core import process_output as op
+from process.core.data_structure.base import DataStructure
 from process.core.exceptions import ProcessValueError
-from process.core.model import DataStructure, Model
+from process.core.model import Model
 from process.data_structure.pfcoil_variables import (
     N_PF_COILS_IN_GROUP_MAX,
     N_PF_GROUPS_MAX,

process/models/physics/fusion_reactions.py

@@ -7,7 +7,7 @@
 from scipy import integrate
 
 from process.core import constants
-from process.core.model import DataStructure
+from process.core.data_structure.base import DataStructure
 from process.data_structure.physics_variables import PhysicsData
 from process.models.physics.plasma_profiles import PlasmaProfile
 

process/models/physics/impurity_radiation.py

@@ -13,6 +13,7 @@
 from scipy import integrate
 
 from process.core import constants
+from process.core.data_structure.base import DataStructure
 from process.core.exceptions import ProcessError, ProcessValueError
 from process.data_structure.impurity_radiation_variables import (
     N_IMPURITIY_LOSS_FUNCTION_POINTS,

process/models/physics/radiation_power.py

@@ -10,7 +10,7 @@
 import numpy as np
 
 import process.models.physics.impurity_radiation as impurity
-from process.core.model import DataStructure
+from process.core.data_structure.base import DataStructure
 from process.models.physics.plasma_profiles import PlasmaProfile
 
 logger = logging.getLogger(__name__)

process/models/stellarator/build.py

@@ -1,7 +1,7 @@
 """Module containing stellarator build routines"""
 
 from process.core import process_output as po
-from process.core.model import DataStructure
+from process.core.data_structure.base import DataStructure
 
 
 def st_build(stellarator, f_output: bool, data: DataStructure):

process/models/stellarator/coils/calculate.py

@@ -4,7 +4,7 @@
 
 import numpy as np
 
-from process.core.model import DataStructure
+from process.core.data_structure.base import DataStructure
 from process.models.stellarator.coils import forces
 from process.models.stellarator.coils.coils import (
     bmax_from_awp,