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"""The Controls class for providing RAT algorithm settings."""
import contextlib
import os
import tempfile
import warnings
from pathlib import Path
import prettytable
from pydantic import (
BaseModel,
Field,
ValidationError,
ValidatorFunctionWrapHandler,
model_serializer,
model_validator,
)
from ratapi.utils.custom_errors import custom_pydantic_validation_error
from ratapi.utils.enums import BoundHandling, Display, Parallel, Procedures, Strategies
common_fields = [
"procedure",
"parallel",
"numSimulationPoints",
"resampleMinAngle",
"resampleNPoints",
"display",
]
update_fields = ["updateFreq", "updatePlotFreq"]
fields = {
"calculate": common_fields,
"simplex": [*common_fields, "xTolerance", "funcTolerance", "maxFuncEvals", "maxIterations", *update_fields],
"de": [
*common_fields,
"populationSize",
"fWeight",
"crossoverProbability",
"strategy",
"targetValue",
"numGenerations",
*update_fields,
],
"ns": [*common_fields, "nLive", "nMCMC", "propScale", "nsTolerance"],
"dream": [*common_fields, "nSamples", "nChains", "jumpProbability", "pUnitGamma", "boundHandling", "adaptPCR"],
}
class Controls(BaseModel, validate_assignment=True, extra="forbid", use_attribute_docstrings=True):
"""The full set of controls parameters for all five procedures that are required for the compiled RAT code."""
# All Procedures
procedure: Procedures = Procedures.Calculate
"""Which procedure RAT should execute. Can be 'calculate', 'simplex', 'de', 'ns', or 'dream'."""
parallel: Parallel = Parallel.Single
"""How the calculation should be parallelised. Can be 'single', 'contrasts' or 'points'."""
numSimulationPoints: int = Field(500, ge=2)
"""The number of points used for reflectivity simulations where no data is supplied."""
resampleMinAngle: float = Field(0.9, le=1, gt=0)
"""The upper threshold on the angle between three sampled points for resampling, in units of radians over pi."""
resampleNPoints: int = Field(50, gt=0)
"""The number of initial points to use for resampling."""
display: Display = Display.Iter
"""How much RAT should print to the terminal. Can be 'off', 'iter', 'notify', or 'final'."""
# Simplex
xTolerance: float = Field(1.0e-6, gt=0.0)
"""[SIMPLEX] The termination tolerance for step size."""
funcTolerance: float = Field(1.0e-6, gt=0.0)
"""[SIMPLEX] The termination tolerance for change in chi-squared."""
maxFuncEvals: int = Field(10000, gt=0)
"""[SIMPLEX] The maximum number of function evaluations before the algorithm terminates."""
maxIterations: int = Field(1000, gt=0)
"""[SIMPLEX] The maximum number of iterations before the algorithm terminates."""
# Simplex and DE
updateFreq: int = 1
"""[SIMPLEX, DE] Number of iterations between printing progress updates to the terminal."""
updatePlotFreq: int = 20
"""[SIMPLEX, DE] Number of iterations between updates to live plots."""
# DE
populationSize: int = Field(20, ge=1)
"""[DE] The number of candidate solutions that exist at any time."""
fWeight: float = Field(0.5, gt=0.0)
"""[DE] The step size for how different mutations are to their parents."""
crossoverProbability: float = Field(0.8, gt=0.0, lt=1.0)
"""[DE] The probability of exchange of parameters between individuals at any iteration."""
strategy: Strategies = Strategies.RandomWithPerVectorDither
"""[DE] The algorithm used to generate new candidates."""
targetValue: float = Field(1.0, ge=1.0)
"""[DE] The value of chi-squared at which the algorithm will terminate."""
numGenerations: int = Field(500, ge=1)
"""[DE] The maximum number of iterations before the algorithm terminates."""
# NS
nLive: int = Field(150, ge=1)
"""[NS] The number of points to sample."""
nMCMC: int = Field(0, ge=0)
"""[NS] If non-zero, an MCMC process with ``nMCMC`` chains will be used instead of MultiNest."""
propScale: float = Field(0.1, gt=0.0, lt=1.0)
"""[NS] A scaling factor for the ellipsoid generated by MultiNest."""
nsTolerance: float = Field(0.1, ge=0.0)
"""[NS] The tolerance threshold for when the algorithm should terminate."""
# Dream
nSamples: int = Field(20000, ge=0)
"""[DREAM] The total number of function evaluations (number of algorithm generations times number of chains)."""
nChains: int = Field(10, gt=1)
"""[DREAM] The number of Markov chains to use in the algorithm."""
jumpProbability: float = Field(0.5, gt=0.0, lt=1.0)
"""[DREAM] The probability range for the size of jumps in sampling. Larger values mean more variable jumps."""
pUnitGamma: float = Field(0.2, gt=0.0, lt=1.0)
"""[DREAM] The probability that the scaling-down factor of jumps will be ignored and a larger jump will be taken."""
boundHandling: BoundHandling = BoundHandling.Reflect
"""[DREAM] How steps past the space boundaries should be handled. Can be 'off', 'reflect', 'bound', or 'fold'."""
adaptPCR: bool = True
"""[DREAM] Whether the crossover probability for differential evolution should be adapted during the run."""
# Private field for IPC file
_IPCFilePath: str = ""
@model_validator(mode="wrap")
def warn_setting_incorrect_properties(self, handler: ValidatorFunctionWrapHandler) -> "Controls":
"""Raise a warning if the user sets fields that apply to other procedures."""
model_input = self
try:
input_dict = model_input.__dict__
except AttributeError:
input_dict = model_input
validated_self = None
try:
validated_self = handler(self)
except ValidationError as exc:
procedure = input_dict.get("procedure", Procedures.Calculate)
custom_error_msgs = {
"extra_forbidden": f'Extra inputs are not permitted. The fields for the "{procedure}"'
f" controls procedure are:\n "
f"{', '.join(fields.get('procedure', []))}\n",
}
custom_error_list = custom_pydantic_validation_error(exc.errors(include_url=False), custom_error_msgs)
raise ValidationError.from_exception_data(exc.title, custom_error_list, hide_input=True) from None
if isinstance(model_input, validated_self.__class__):
# This is for changing fields in a defined model
changed_fields = [key for key in input_dict if input_dict[key] != validated_self.__dict__[key]]
elif isinstance(model_input, dict):
# This is for a newly-defined model
changed_fields = input_dict.keys()
else:
raise ValueError('The input to the "Controls" model is invalid.')
new_procedure = validated_self.procedure
allowed_fields = fields[new_procedure]
for field in changed_fields:
if field not in allowed_fields:
incorrect_procedures = [key for (key, value) in fields.items() if field in value]
warnings.warn(
f'\nThe current controls procedure is "{new_procedure}", but the property'
f' "{field}" applies instead to the {", ".join(incorrect_procedures)} procedure.\n\n'
f' The fields for the "{new_procedure}" controls procedure are:\n'
f" {', '.join(fields[new_procedure])}\n",
stacklevel=2,
)
return validated_self
@model_serializer
def serialize(self):
"""Filter fields so only those applying to the chosen procedure are serialized."""
return {model_field: getattr(self, model_field) for model_field in fields[self.procedure]}
def __repr__(self) -> str:
fields_repr = ", ".join(repr(v) if a is None else f"{a}={v!r}" for a, v in self.model_dump().items())
return f"{self.__repr_name__()}({fields_repr})"
def __str__(self) -> str:
table = prettytable.PrettyTable()
table.field_names = ["Property", "Value"]
table.add_rows([[k, v] for k, v in self.model_dump().items()])
return table.get_string()
def initialise_IPC(self):
"""Set up the inter-process communication file."""
IPC_obj, self._IPCFilePath = tempfile.mkstemp()
os.write(IPC_obj, b"\x00")
os.close(IPC_obj)
return None
def sendStopEvent(self):
"""Send the stop event via the inter-process communication file.
Warnings
--------
UserWarning
Raised if we try to delete an IPC file that was not initialised.
"""
if os.path.isfile(self._IPCFilePath):
with open(self._IPCFilePath, "wb") as f:
f.write(b"\x01")
else:
warnings.warn("An IPC file was not initialised.", UserWarning, stacklevel=2)
return None
def delete_IPC(self):
"""Delete the inter-process communication file."""
with contextlib.suppress(FileNotFoundError):
os.remove(self._IPCFilePath)
self._IPCFilePath = ""
return None
def save(self, filepath: str | Path = "./controls.json"):
"""Save a controls object to a JSON file.
Parameters
----------
filepath : str or Path
The path to where the controls file will be written.
"""
filepath = Path(filepath).with_suffix(".json")
filepath.write_text(self.model_dump_json())
@classmethod
def load(cls, path: str | Path) -> "Controls":
"""Load a controls object from file.
Parameters
----------
path : str or Path
The path to the controls object file.
"""
file = Path(path)
return cls.model_validate_json(file.read_text())
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