mlchem.chem.manipulation.generate_resonance

generate_resonance(smi: str, save: bool = False, path_name: str = '') → list[bytes]

Generate resonance structures for a SMILES string and optionally save images.

Parameters:

• smi (str) – A SMILES string representing the molecule.

• save (bool, optional) – Whether to save the images. Default is False.

• path_name (str, optional) – Directory path to save images. Default is current directory.

Returns:

List of binary image data for the resonance structures.

Return type:

list of bytes