mythos.simulators.base

Base class for a simulation.

Classes

SimulatorOutput	Output container for simlators.
Simulator	Base class for a simulation.
InputDirSimulator	A base class for simulators that run based on an input directory.

Module Contents

class mythos.simulators.base.SimulatorOutput

Output container for simlators.

observables: list[Any]

state: dict[str, Any]

class mythos.simulators.base.Simulator

Base class for a simulation.

name: str

exposed_observables: ClassVar[list[str]] = ['trajectory']

run(*_args, opt_params: dict[str, Any], **_kwargs) → SimulatorOutput

Run the simulation.

exposes() → list[str]

Get the list of exposed observables.

classmethod create_n(n: int, name: str | None = None, **kwargs) → list[Simulator]

Create N simulators with unique names.

class mythos.simulators.base.InputDirSimulator

Bases: Simulator, abc.ABC

A base class for simulators that run based on an input directory.

This class handles copying the input directory to a temporary location unless overwrite_input is set to True.

Subclasses must implement the run_simulation method, which runs the simulation logic given the provided input directory.

Parameters:

• input_dir – Path to the input directory.

• overwrite_input – Whether to overwrite the input directory or copy it. If this is False (default), the contents of the input_dir will be copied to a temporary directory for running the simulation to avoid overwriting input.

input_dir: str

overwrite_input: bool = False

run(*args, **kwargs) → SimulatorOutput

Run the simulation.

copy_inputs(temp_dir: str) → None

Copy input files to temporary directory.

abstractmethod run_simulation(input_dir: pathlib.Path, *args, **kwargs) → SimulatorOutput

Run the simulation in the given input directory.