ncsw_data.source.reaction.ord.utility

The ncsw_data.source.reaction.ord.utility package initialization module.

Submodules

Classes

OpenReactionDatabaseDownloadUtility

The Open Reaction Database (ORD) download utility class.

OpenReactionDatabaseExtractionUtility

OpenReactionDatabaseFormattingUtility

Package Contents

class ncsw_data.source.reaction.ord.utility.OpenReactionDatabaseDownloadUtility

The Open Reaction Database (ORD) download utility class.

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

Download the data from a v_release_* version of the database.

Parameters:

  • version – The version of the database.

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

class ncsw_data.source.reaction.ord.utility.OpenReactionDatabaseExtractionUtility

The Open Reaction Database (ORD) extraction utility class.

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

Extract the data from a v_release_* 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.

class ncsw_data.source.reaction.ord.utility.OpenReactionDatabaseFormattingUtility

The Open Reaction Database (ORD) formatting utility class.

static _parse_v_release_file(input_file_path: str | os.PathLike[str]) → List[Tuple[str | None, Ellipsis]]

Parse a file from a v_release_* version of the database.

Parameters:

input_file_path – The path to the input file.

Returns:

The parsed input file.

static format_v_release(version: str, input_directory_path: str | os.PathLike[str], output_directory_path: str | os.PathLike[str], number_of_processes: int = 1) → None

Format the data from a v_release_* 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.

  • number_of_processes – The number of processes.