ncsw_data.source.reaction.crd.utility.extraction

The ncsw_data.source.reaction.crd.utility package extraction module.

Classes

ChemicalReactionDatabaseExtractionUtility

The Chemical Reaction Database (CRD) extraction utility class.

Module Contents

class ncsw_data.source.reaction.crd.utility.extraction.ChemicalReactionDatabaseExtractionUtility

The Chemical Reaction Database (CRD) extraction utility class.

static extract_v_reaction_smiles(version: str, input_directory_path: str | os.PathLike[str], output_directory_path: str | os.PathLike[str]) → None

Extract the data from a v_reaction_smiles_* version of the database.

Parameters:

• version – The version of the database.

• input_directory_path – The path to the input directory where the data is downloaded.

• output_directory_path – The path to the output directory where the data should be extracted.