"""
visualize_molecule_3d
Visualize 3D molecular structures using RDKit and py3Dmol. Supports SMILES, MOL files, SDF conten...
"""
from typing import Any, Optional, Callable
from ._shared_client import get_shared_client
[docs]
def visualize_molecule_3d(
smiles: str,
mol_content: str,
sdf_content: str,
style: Optional[str] = "stick",
color_scheme: Optional[str] = "default",
width: Optional[int] = 800,
height: Optional[int] = 600,
show_hydrogens: Optional[bool] = True,
show_surface: Optional[bool] = False,
generate_conformers: Optional[bool] = True,
conformer_count: Optional[int] = 1,
*,
stream_callback: Optional[Callable[[str], None]] = None,
use_cache: bool = False,
validate: bool = True,
) -> dict[str, Any]:
"""
Visualize 3D molecular structures using RDKit and py3Dmol. Supports SMILES, MOL files, SDF conten...
Parameters
----------
smiles : str
SMILES string representation of the molecule
mol_content : str
MOL file content as string
sdf_content : str
SDF file content as string
style : str
Visualization style
color_scheme : str
Color scheme for the molecule
width : int
Width of the visualization in pixels
height : int
Height of the visualization in pixels
show_hydrogens : bool
Whether to show hydrogen atoms
show_surface : bool
Whether to show molecular surface
generate_conformers : bool
Whether to generate multiple conformers
conformer_count : int
Number of conformers to generate
stream_callback : Callable, optional
Callback for streaming output
use_cache : bool, default False
Enable caching
validate : bool, default True
Validate parameters
Returns
-------
dict[str, Any]
"""
# Handle mutable defaults to avoid B006 linting error
return get_shared_client().run_one_function(
{
"name": "visualize_molecule_3d",
"arguments": {
"smiles": smiles,
"mol_content": mol_content,
"sdf_content": sdf_content,
"style": style,
"color_scheme": color_scheme,
"width": width,
"height": height,
"show_hydrogens": show_hydrogens,
"show_surface": show_surface,
"generate_conformers": generate_conformers,
"conformer_count": conformer_count,
},
},
stream_callback=stream_callback,
use_cache=use_cache,
validate=validate,
)
__all__ = ["visualize_molecule_3d"]
