code.py

"""Code that represents a shell command."""
from __future__ import annotations

import typing as t

from aiida.orm import InstalledCode

__all__ = ('ShellCode',)


class ShellCode(InstalledCode):
    """Code that represents a shell command.

    This code type is automatically generated by the :func:`~aiida_shell.engine.launch.launch_shell_job` function and is
    a subclass of :class:`~aiida.orm.nodes.data.code.installed.InstalledCode`. It can therefore be used for any other
    calculation job as well.
    """

    def __init__(self, *args: t.Any, default_calc_job_plugin: str = 'core.shell', **kwargs: t.Any) -> None:
        """Construct a new instance."""
        self.validate_default_calc_job_plugin(default_calc_job_plugin)
        super().__init__(*args, default_calc_job_plugin=default_calc_job_plugin, **kwargs)

    @staticmethod
    def validate_default_calc_job_plugin(default_calc_job_plugin: str) -> None:
        """Validate the default calculation job plugin.

        The ``ShellCode`` should only be used with the ``core.shell`` calculation job entry point.

        :raises ValueError: If ``default_calc_job_plugin`` is not ``core.shell``.
        """
        if default_calc_job_plugin != 'core.shell':
            raise ValueError(f'`default_calc_job_plugin` has to be `core.shell`, but got: {default_calc_job_plugin}')