ncsw_data.source.compound_pattern.rdkit.utility =============================================== .. py:module:: ncsw_data.source.compound_pattern.rdkit.utility .. autoapi-nested-parse:: The ``ncsw_data.source.compound_pattern.rdkit.utility`` package initialization module. Submodules ---------- .. toctree:: :maxdepth: 1 /autoapi/ncsw_data/source/compound_pattern/rdkit/utility/download/index /autoapi/ncsw_data/source/compound_pattern/rdkit/utility/extraction/index /autoapi/ncsw_data/source/compound_pattern/rdkit/utility/formatting/index Classes ------- .. autoapisummary:: ncsw_data.source.compound_pattern.rdkit.utility.RDKitCompoundPatternDatasetDownloadUtility ncsw_data.source.compound_pattern.rdkit.utility.RDKitCompoundPatternDatasetExtractionUtility ncsw_data.source.compound_pattern.rdkit.utility.RDKitCompoundPatternDatasetFormattingUtility Package Contents ---------------- .. py:class:: RDKitCompoundPatternDatasetDownloadUtility The `RDKit `_ chemical compound pattern dataset download utility class. .. py:method:: download_v_htl_by_20080307_brenk_r_et_al(output_directory_path: Union[str, os.PathLike[str]]) -> None :staticmethod: Download the data from the `v_htl_by_20080307_brenk_r_et_al` version of the dataset. :parameter output_directory_path: The path to the output directory where the data should be downloaded. .. py:method:: download_v_pains_by_20100204_baell_j_b_and_holloway_g_a(output_directory_path: Union[str, os.PathLike[str]]) -> None :staticmethod: Download the data from the `v_pains_by_20100204_baell_j_b_and_holloway_g_a` version of the dataset. :parameter output_directory_path: The path to the output directory where the data should be downloaded. .. py:class:: RDKitCompoundPatternDatasetExtractionUtility The `RDKit `_ chemical compound pattern dataset extraction utility class. .. py:class:: RDKitCompoundPatternDatasetFormattingUtility The `RDKit `_ chemical compound pattern dataset formatting utility class. .. py:method:: format_v_htl_by_20080307_brenk_r_et_al(input_directory_path: Union[str, os.PathLike[str]], output_directory_path: Union[str, os.PathLike[str]]) -> None :staticmethod: Format the data from the `v_htl_by_20080307_brenk_r_et_al` version of the dataset. :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_pains_by_20100204_baell_j_b_and_holloway_g_a(input_directory_path: Union[str, os.PathLike[str]], output_directory_path: Union[str, os.PathLike[str]]) -> None :staticmethod: Format the data from the `v_pains_by_20100204_baell_j_b_and_holloway_g_a` version of the dataset. :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.