ncsw_data.source.reaction_pattern.retro_rules.utility

The ncsw_data.source.reaction_pattern.retro_rules.utility package initialization module.

Submodules

Classes

RetroRulesReactionPatternDatabaseDownloadUtility

The RetroRules chemical reaction pattern database download utility class.

RetroRulesReactionPatternDatabaseExtractionUtility

RetroRulesReactionPatternDatabaseFormattingUtility

Package Contents

class ncsw_data.source.reaction_pattern.retro_rules.utility.RetroRulesReactionPatternDatabaseDownloadUtility

The RetroRules chemical reaction pattern database 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_pattern.retro_rules.utility.RetroRulesReactionPatternDatabaseExtractionUtility

The RetroRules chemical reaction pattern database 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_pattern.retro_rules.utility.RetroRulesReactionPatternDatabaseFormattingUtility

The RetroRules chemical reaction pattern database formatting utility class.

static format_v_release(version: str, input_directory_path: str | os.PathLike[str], output_directory_path: str | os.PathLike[str]) → 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.