ncsw_data.source.compound.zinc.utility.formatting

The ncsw_data.source.compound.zinc.utility package formatting module.

Classes

ZINCCompoundDatabaseFormattingUtility

The ZINC chemical compound database formatting utility class.

Module Contents

class ncsw_data.source.compound.zinc.utility.formatting.ZINCCompoundDatabaseFormattingUtility

The ZINC chemical compound database formatting utility class.

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

Format the data from a v_building_block_* version of the database.

Parameters:

• version – The version of the database.

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

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

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

Format the data from a v_catalog_* version of the database.

Parameters:

• version – The version of the database.

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

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