"""HADDOCK3 modules related to model analysis."""
from typing import Iterable
modules_using_resdic = ("caprieval", "rmsdmatrix", "alascan")
[docs]def confirm_resdic_chainid_length(params: Iterable[str]) -> None:
"""
Confirm resdic params have chain IDs of length one.
Parameters
----------
params : dict, or list of keys
The parameters.
Raises
------
ValueError
If a `resdic_*` parameter has chain IDs with more than one letter.
For example, `resdic_AB`.
"""
resdic_params = (p for p in params if p.startswith('resdic_'))
for param in resdic_params:
chainid = param.split('_')[-1]
if len(chainid) > 1:
raise ValueError(
f"We found the parameter {param!r} which has "
"more than one character in the chain "
"identifier. Chain IDs should have only one character."
)
[docs]def get_analysis_exec_mode(mode: str) -> str:
"""
Get the execution mode for analysis modules.
Parameters
----------
exec_mode : str
The execution mode to use.
Returns
-------
str
The execution mode to use for the analysis modules.
If it's "batch", it will be changed to "local".
"""
if mode != "batch":
exec_mode = mode
else:
exec_mode = "local"
return exec_mode