"""
Exit module
===========
Stop the workflow when this module is reached. This allows users to execute
only a certain initial part of the workflow without having to comment/uncomment
the unwanted lines.
Examples
--------
Consider the following config file example::
[topoaa]
(...)
[rigidbody]
(...)
[exit] # <- workflow will stop here
[flexref]
(...)
The workflow will stop at ``[exit]`` and ``[flexref]`` will not be performed.
You can also use this option combined with ``--restart`` and ``--extend-run``.
See examples in ``examples/docking-protein-protein/*-exit-test.cfg`` files.
"""
import shutil
from pathlib import Path
from haddock.core.exceptions import HaddockTermination
from haddock.core.typing import Any, FilePath
from haddock.modules import BaseHaddockModule
RECIPE_PATH = Path(__file__).resolve().parent
DEFAULT_CONFIG = Path(RECIPE_PATH, "defaults.yaml")
[docs]class HaddockModule(BaseHaddockModule):
"""Stop the workflow when this module is reached."""
name = RECIPE_PATH.name
def __init__(
self,
order: int,
path: Path,
*ignore: Any,
init_params: FilePath = DEFAULT_CONFIG,
**everything: Any,
) -> None:
super().__init__(order, path, init_params)
[docs] @classmethod
def confirm_installation(cls) -> None:
"""Confirm if contact executable is compiled."""
return
def _run(self) -> None:
# removes the `exit` step folder
self.log(self.params["message"])
shutil.rmtree(Path.cwd())
error = HaddockTermination()
raise error