ncsw_data.source.compound.zinc.utility ====================================== .. py:module:: ncsw_data.source.compound.zinc.utility .. autoapi-nested-parse:: The ``ncsw_data.source.compound.zinc.utility`` package initialization module. Submodules ---------- .. toctree:: :maxdepth: 1 /autoapi/ncsw_data/source/compound/zinc/utility/download/index /autoapi/ncsw_data/source/compound/zinc/utility/extraction/index /autoapi/ncsw_data/source/compound/zinc/utility/formatting/index Classes ------- .. autoapisummary:: ncsw_data.source.compound.zinc.utility.ZINCCompoundDatabaseDownloadUtility ncsw_data.source.compound.zinc.utility.ZINCCompoundDatabaseExtractionUtility ncsw_data.source.compound.zinc.utility.ZINCCompoundDatabaseFormattingUtility Package Contents ---------------- .. py:class:: ZINCCompoundDatabaseDownloadUtility The `ZINC `_ chemical compound database download utility class. .. py:method:: download_v_building_block(version: str, output_directory_path: Union[str, os.PathLike[str]]) -> None :staticmethod: Download the data from a `v_building_block_*` version of the database. :parameter version: The version of the database. :parameter output_directory_path: The path to the output directory where the data should be downloaded. .. py:method:: download_v_catalog(version: str, output_directory_path: Union[str, os.PathLike[str]]) -> None :staticmethod: Download the data from a `v_catalog_*` version of the database. :parameter version: The version of the database. :parameter output_directory_path: The path to the output directory where the data should be downloaded. .. py:class:: ZINCCompoundDatabaseExtractionUtility The `ZINC `_ chemical compound database extraction utility class. .. py:method:: extract_v_building_block(version: str, input_directory_path: Union[str, os.PathLike[str]], output_directory_path: Union[str, os.PathLike[str]]) -> None :staticmethod: Extract the data from a `v_building_block_*` version of the database. :parameter version: The version of the database. :parameter input_directory_path: The path to the input directory where the data is downloaded. :parameter output_directory_path: The path to the output directory where the data should be extracted. .. py:class:: ZINCCompoundDatabaseFormattingUtility The `ZINC `_ chemical compound database formatting utility class. .. py:method:: format_v_building_block(version: str, input_directory_path: Union[str, os.PathLike[str]], output_directory_path: Union[str, os.PathLike[str]]) -> None :staticmethod: Format the data from a `v_building_block_*` version of the database. :parameter version: The version of the database. :parameter input_directory_path: The path to the input directory where the data is extracted. :parameter output_directory_path: The path to the output directory where the data should be formatted. .. py:method:: format_v_catalog(version: str, input_directory_path: Union[str, os.PathLike[str]], output_directory_path: Union[str, os.PathLike[str]]) -> None :staticmethod: Format the data from a `v_catalog_*` version of the database. :parameter version: The version of the database. :parameter input_directory_path: The path to the input directory where the data is extracted. :parameter output_directory_path: The path to the output directory where the data should be formatted.