Source code for tooluniverse.tools.get_ligand_smiles_by_chem_comp_id

"""
get_ligand_smiles_by_chem_comp_id

Retrieve the SMILES chemical structure string for a given chemical component (ligand) ID.
"""

from typing import Any, Optional, Callable
from ._shared_client import get_shared_client


[docs] def get_ligand_smiles_by_chem_comp_id( chem_comp_id: str, *, stream_callback: Optional[Callable[[str], None]] = None, use_cache: bool = False, validate: bool = True, ) -> Any: """ Retrieve the SMILES chemical structure string for a given chemical component (ligand) ID. Parameters ---------- chem_comp_id : str Chemical component ID (e.g., 'ATP') stream_callback : Callable, optional Callback for streaming output use_cache : bool, default False Enable caching validate : bool, default True Validate parameters Returns ------- Any """ # Handle mutable defaults to avoid B006 linting error return get_shared_client().run_one_function( { "name": "get_ligand_smiles_by_chem_comp_id", "arguments": {"chem_comp_id": chem_comp_id}, }, stream_callback=stream_callback, use_cache=use_cache, validate=validate, )
__all__ = ["get_ligand_smiles_by_chem_comp_id"]