Support input's being set on new data structure dataclass

process/core/init.py

@@ -1,8 +1,11 @@
+from __future__ import annotations
+
 import datetime
 import getpass
 import socket
 import subprocess
 from pathlib import Path
+from typing import TYPE_CHECKING
 from warnings import warn
 
 import process
@@ -62,8 +65,11 @@
 from process.models.stellarator.initialization import st_init
 from process.models.tfcoil.base import TFCoilShapeModel
 
+if TYPE_CHECKING:
+    from process.core.model import DataStructure
+
 
-def init_process():
+def init_process(data_structure: DataStructure):
     """Routine that calls the initialisation routines
 
     This routine calls the main initialisation routines that set
@@ -77,7 +83,7 @@ def init_process():
     process_output.OutputFileManager.open_files()
 
     # Input any desired new initial values
-    inputs = parse_input_file()
+    inputs = parse_input_file(data_structure)
 
     # Set active constraints
     set_active_constraints()

process/core/input.py

@@ -1,18 +1,23 @@
 """Handle parsing, validation, and actioning of a PROCESS input file (*IN.DAT)."""
 
+from __future__ import annotations
+
 import copy
 import re
 from collections.abc import Callable
 from dataclasses import dataclass
 from pathlib import Path
-from typing import Any
+from typing import TYPE_CHECKING, Any
 from warnings import warn
 
 import process
 import process.data_structure as data_structure
 from process.core.exceptions import ProcessValidationError, ProcessValueError
 from process.core.solver.constraints import ConstraintManager
 
+if TYPE_CHECKING:
+    from process.core.model import DataStructure
+
 NumberType = int | float
 ValidInputTypes = NumberType | str
 
@@ -45,7 +50,7 @@ class InputVariable:
     array: bool = False
     """Is this input assigning values to an array?"""
     additional_validation: (
-        Callable[[str, ValidInputTypes, int | None, "InputVariable"], ValidInputTypes]
+        Callable[[str, ValidInputTypes, int | None, InputVariable], ValidInputTypes]
         | None
     ) = None
     """A function that takes the input variable: name, value, array index, and config (this dataclass)
@@ -56,7 +61,7 @@ class InputVariable:
     been cast to the specified `type`.
     """
     additional_actions: (
-        Callable[[str, ValidInputTypes, int | None, "InputVariable"], None] | None
+        Callable[[str, ValidInputTypes, int | None, InputVariable], None] | None
     ) = None
     """A function that takes the input variable: name, value, array index, and config (this dataclass)
     as input and performs some additional action in addition to the default actions prescribed by the variables
@@ -184,9 +189,7 @@ def __post_init__(self):
     "admv": InputVariable(
         data_structure.buildings_variables, float, range=(1.0e4, 1.0e6)
     ),
-    "airtemp": InputVariable(
-        data_structure.water_usage_variables, float, range=(-15.0, 40.0)
-    ),
+    "airtemp": InputVariable("water_use", float, range=(-15.0, 40.0)),
     "alfapf": InputVariable(data_structure.pfcoil_variables, float, range=(1e-12, 1.0)),
     "alstroh": InputVariable(
         data_structure.pfcoil_variables, float, range=(1000000.0, 100000000000.0)
@@ -1770,18 +1773,14 @@ def __post_init__(self):
     "water_buildings_w": InputVariable(
         data_structure.buildings_variables, float, range=(10.0, 1000.0)
     ),
-    "watertemp": InputVariable(
-        data_structure.water_usage_variables, float, range=(0.0, 25.0)
-    ),
+    "watertemp": InputVariable("water_use", float, range=(0.0, 25.0)),
     "wgt": InputVariable(
         data_structure.buildings_variables, float, range=(10000.0, 1000000.0)
     ),
     "wgt2": InputVariable(
         data_structure.buildings_variables, float, range=(10000.0, 1000000.0)
     ),
-    "windspeed": InputVariable(
-        data_structure.water_usage_variables, float, range=(0.0, 10.0)
-    ),
+    "windspeed": InputVariable("water_use", float, range=(0.0, 10.0)),
     "workshop_h": InputVariable(
         data_structure.buildings_variables, float, range=(1.0, 100.0)
     ),
@@ -2148,7 +2147,7 @@ def __post_init__(self):
 }
 
 
-def parse_input_file():
+def parse_input_file(data_structure_obj: DataStructure):
     input_file = data_structure.global_variables.fileprefix
 
     input_file_path = Path("IN.DAT")
@@ -2186,6 +2185,14 @@ def parse_input_file():
 
         variable_config = INPUT_VARIABLES.get(variable_name)
 
+        # string indicates it should be set on the new object data structure
+        if isinstance(variable_config.module, str):
+            module = data_structure_obj
+            for name in variable_config.module.split("."):
+                module = getattr(module, name)
+
+            variable_config.module = module
+
         if variable_config is None:
             error_msg = (
                 f"Unrecognised input '{variable_name}' at line {line_no} of input file."

process/main.py

@@ -308,6 +308,7 @@ def __init__(self, config_file: str, solver: str = "vmcon"):
         # dir changes happen in old run_process code
         self.config_file = Path(config_file).resolve()
         self.solver = solver
+        self.data = DataStructure()
 
     def run(self):
         """Perform a VaryRun by running multiple SingleRuns.
@@ -328,7 +329,7 @@ def run(self):
         setup_loggers(Path(config.wdir) / "process.log")
 
         init.init_all_module_vars()
-        init.init_process()
+        init.init_process(self.data)
 
         _neqns, itervars = get_neqns_itervars()
         lbs, ubs = get_variable_range(itervars, config.factor)
@@ -405,8 +406,9 @@ def __init__(
         self.validate_input(update_obsolete)
         self.init_module_vars()
         self.set_filenames()
+        self.data = DataStructure()
         self.initialise()
-        self.models = Models()
+        self.models = Models(self.data)
         self.solver = solver
 
     def run(self):
@@ -479,7 +481,7 @@ def initialise(self):
 
         initialise_imprad()
         # Reads in input file
-        init.init_process()
+        init.init_process(self.data)
 
         # Order optimisation parameters (arbitrary order in input file)
         # Ensures consistency and makes output comparisons more straightforward
@@ -664,11 +666,13 @@ class Models:
     engineering modules.
     """
 
-    def __init__(self):
+    def __init__(self, data: DataStructure):
         """Create physics and engineering model objects.
 
         This also initialises module variables in the Fortran for that module.
         """
+        self.data = data
+
         self._costs_custom = None
         self._costs_1990 = Costs()
         self._costs_2015 = Costs2015()
@@ -778,9 +782,8 @@ def setup_data_structure(self):
         # This Models class should be replaced with a dataclass so we can
         # iterate over the `fields`.
         # This can be a disgusting temporary measure :(
-        data = DataStructure()
         for model in self.models:
-            model.data = data
+            model.data = self.data
 
 
 # setup handlers for writing to terminal (on warnings+)

tests/conftest.py

@@ -13,6 +13,7 @@
 
 from process import main
 from process.core.log import logging_model_handler
+from process.core.model import DataStructure
 from process.main import Models
 
 
@@ -235,4 +236,4 @@ def _plot_show_and_close_class(request):
 
 @pytest.fixture
 def process_models():
-    return Models()
+    return Models(DataStructure())

tests/unit/test_input.py

@@ -7,6 +7,12 @@
 import process.core.input as process_input
 import process.data_structure as data_structure
 from process.core.exceptions import ProcessValidationError
+from process.core.model import DataStructure
+
+
+@pytest.fixture
+def data_structure_obj():
+    return DataStructure()
 
 
 def _create_input_file(directory, content: str):
@@ -54,15 +60,15 @@ def _create_input_file(directory, content: str):
     ]
     + [("0.546816593988753", 0.546816593988753)],
 )
-def test_parse_real(epsvmc, expected, tmp_path):
+def test_parse_real(epsvmc, expected, tmp_path, data_structure_obj):
     """Tests the parsing of real numbers into PROCESS.
 
     Program to get the expected value for 0.008 provided at https://github.com/ukaea/PROCESS/pull/3067
     """
     data_structure.global_variables.fileprefix = _create_input_file(
         tmp_path, f"epsvmc = {epsvmc}"
     )
-    init.init_process()
+    init.init_process(data_structure_obj)
 
     assert data_structure.numerics.epsvmc == expected
 
@@ -78,7 +84,7 @@ def test_parse_real(epsvmc, expected, tmp_path):
         [0.1293140904093427],
     ],
 )
-def test_exact_parsing(value, tmp_path):
+def test_exact_parsing(value, tmp_path, data_structure_obj):
     """Tests the parsing of real numbers into PROCESS.
 
     These tests failed using the old input parser and serve to show that the Python parser generally
@@ -87,37 +93,37 @@ def test_exact_parsing(value, tmp_path):
     data_structure.global_variables.fileprefix = _create_input_file(
         tmp_path, f"epsvmc = {value}"
     )
-    init.init_process()
+    init.init_process(data_structure_obj)
 
     assert data_structure.numerics.epsvmc == value
 
 
-def test_parse_input(tmp_path):
+def test_parse_input(tmp_path, data_structure_obj):
     data_structure.global_variables.fileprefix = _create_input_file(
         tmp_path,
         ("runtitle = my run title\nioptimz = -2\nepsvmc = 0.6\nboundl(1) = 0.5"),
     )
-    init.init_process()
+    init.init_process(data_structure_obj)
 
     assert data_structure.global_variables.runtitle == "my run title"
     assert data_structure.numerics.ioptimz == -2
     assert pytest.approx(data_structure.numerics.epsvmc) == 0.6
     assert pytest.approx(data_structure.numerics.boundl[0]) == 0.5
 
 
-def test_input_choices(tmp_path):
+def test_input_choices(tmp_path, data_structure_obj):
     data_structure.global_variables.fileprefix = _create_input_file(
         tmp_path, ("ioptimz = -1")
     )
 
     with pytest.raises(ProcessValidationError):
-        init.init_process()
+        init.init_process(data_structure_obj)
 
 
 @pytest.mark.parametrize(
     ("input_file_value"), ((-0.01,), (1.1,)), ids=("violate lower", "violate upper")
 )
-def test_input_range(tmp_path, input_file_value):
+def test_input_range(tmp_path, input_file_value, data_structure_obj):
     data_structure.global_variables.fileprefix = _create_input_file(
         tmp_path, (f"epsvmc = {input_file_value}")
     )
@@ -126,42 +132,51 @@ def test_input_range(tmp_path, input_file_value):
     assert process_input.INPUT_VARIABLES["epsvmc"].range == (0.0, 1.0)
 
     with pytest.raises(ProcessValidationError):
-        init.init_process()
+        init.init_process(data_structure_obj)
 
 
-def test_input_array_when_not(tmp_path):
+def test_input_array_when_not(tmp_path, data_structure_obj):
     data_structure.global_variables.fileprefix = _create_input_file(
         tmp_path, ("epsvmc(1) = 0.5")
     )
 
     with pytest.raises(ProcessValidationError):
-        init.init_process()
+        init.init_process(data_structure_obj)
 
 
-def test_input_not_array_when_is(tmp_path):
+def test_input_not_array_when_is(tmp_path, data_structure_obj):
     data_structure.global_variables.fileprefix = _create_input_file(
         tmp_path, ("boundl = 0.5")
     )
 
     with pytest.raises(ProcessValidationError):
-        init.init_process()
+        init.init_process(data_structure_obj)
 
 
-def test_input_float_when_int(tmp_path):
+def test_input_float_when_int(tmp_path, data_structure_obj):
     data_structure.global_variables.fileprefix = _create_input_file(
         tmp_path, ("ioptimz = 0.5")
     )
 
     with pytest.raises(ProcessValidationError):
-        init.init_process()
+        init.init_process(data_structure_obj)
 
 
-def test_input_array(tmp_path):
+def test_input_array(tmp_path, data_structure_obj):
     data_structure.global_variables.fileprefix = _create_input_file(
         tmp_path, ("boundl = 0.1, 0.2, 1.0, 0.0, 1.0e2")
     )
 
-    init.init_process()
+    init.init_process(data_structure_obj)
     np.testing.assert_array_equal(
         data_structure.numerics.boundl[:6], [0.1, 0.2, 1.0, 0.0, 1.0e2, 0]
     )
+
+
+def test_input_on_new_data_structure(tmp_path, data_structure_obj):
+    data_structure.global_variables.fileprefix = _create_input_file(
+        tmp_path, ("windspeed = 1.22")
+    )
+
+    init.init_process(data_structure_obj)
+    assert data_structure_obj.water_use.windspeed == 1.22

tests/unit/test_main.py

@@ -7,6 +7,7 @@
 import pytest
 
 from process import data_structure, main
+from process.core.model import DataStructure
 from process.main import Process, SingleRun, VaryRun
 
 
@@ -136,6 +137,7 @@ def single_run(monkeypatch, input_file, tmp_path):
 
     single_run.input_file = str(temp_input_file)
     single_run.models = None
+    single_run.data = DataStructure()
     single_run.set_filenames()
     single_run.initialise()
     return single_run