schrodinger.application.transforms.test module

schrodinger.application.transforms.test.get_smiles_wrapped_process(do_fn: apache_beam.transforms.core.DoFn, smi: str, *args, to_struc=False, **kwargs) → List[str]

Returns the list of SMILES strings returned by the process function of the given DoFn using the given SMILES string as input. The input SMILES string will be converted to a Mol before being passed to the process function.

To_struc

If True, the input SMILES string will be converted to a Structure before being passed to the process function. The output will be converted back to a Mol before being returned.