ncsw_data.storage.cacs.sqlite_db.utility ======================================== .. py:module:: ncsw_data.storage.cacs.sqlite_db.utility .. autoapi-nested-parse:: The ``ncsw_data.storage.cacs.sqlite_db.utility`` package initialization module. Submodules ---------- .. toctree:: :maxdepth: 1 /autoapi/ncsw_data/storage/cacs/sqlite_db/utility/insert_/index /autoapi/ncsw_data/storage/cacs/sqlite_db/utility/select_/index /autoapi/ncsw_data/storage/cacs/sqlite_db/utility/typing/index Attributes ---------- .. autoapisummary:: ncsw_data.storage.cacs.sqlite_db.utility.CaCSSQLiteDatabaseArchiveCompoundTuple ncsw_data.storage.cacs.sqlite_db.utility.CaCSSQLiteDatabaseArchiveCompoundFromSourceTuple ncsw_data.storage.cacs.sqlite_db.utility.CaCSSQLiteDatabaseArchiveCompoundPatternTuple ncsw_data.storage.cacs.sqlite_db.utility.CaCSSQLiteDatabaseArchiveCompoundPatternFromSourceTuple ncsw_data.storage.cacs.sqlite_db.utility.CaCSSQLiteDatabaseArchiveReactionTuple ncsw_data.storage.cacs.sqlite_db.utility.CaCSSQLiteDatabaseArchiveReactionFromSourceTuple ncsw_data.storage.cacs.sqlite_db.utility.CaCSSQLiteDatabaseArchiveReactionPatternTuple ncsw_data.storage.cacs.sqlite_db.utility.CaCSSQLiteDatabaseArchiveReactionPatternFromSourceTuple ncsw_data.storage.cacs.sqlite_db.utility.CaCSSQLiteDatabaseWorkbenchCompoundTuple ncsw_data.storage.cacs.sqlite_db.utility.CaCSSQLiteDatabaseWorkbenchCompoundFromSourceTuple ncsw_data.storage.cacs.sqlite_db.utility.CaCSSQLiteDatabaseWorkbenchCompoundPatternTuple ncsw_data.storage.cacs.sqlite_db.utility.CaCSSQLiteDatabaseWorkbenchCompoundPatternFromSourceTuple ncsw_data.storage.cacs.sqlite_db.utility.CaCSSQLiteDatabaseWorkbenchReactionTuple ncsw_data.storage.cacs.sqlite_db.utility.CaCSSQLiteDatabaseWorkbenchReactionFromSourceTuple ncsw_data.storage.cacs.sqlite_db.utility.CaCSSQLiteDatabaseWorkbenchReactionPatternTuple ncsw_data.storage.cacs.sqlite_db.utility.CaCSSQLiteDatabaseWorkbenchReactionPatternFromSourceTuple Classes ------- .. autoapisummary:: ncsw_data.storage.cacs.sqlite_db.utility.CaCSSQLiteDatabaseInsertUtility ncsw_data.storage.cacs.sqlite_db.utility.CaCSSQLiteDatabaseSelectUtility Package Contents ---------------- .. py:class:: CaCSSQLiteDatabaseInsertUtility The computer-assisted chemical synthesis (CaCS) SQLite database insert utility class. .. py:method:: insert_and_select_archive_source(db_session: sqlalchemy.orm.Session, as_name: str, as_version: str, as_file_name: str, as_created_by: str) -> int :staticmethod: Insert and select an archive source from the database. :parameter db_session: The session of the database. :parameter as_name: The name of the archive source. :parameter as_version: The version of the archive source. :parameter as_file_name: The file name of the archive source. :parameter as_created_by: The user of the database inserting the archive source. :returns: The ID of the archive source. .. py:method:: _insert_and_select_archive_compounds(db_session: sqlalchemy.orm.Session, ac_smiles_strings: Iterable[str], acs_created_by: str) -> List[int] :staticmethod: Insert and select the archive chemical compounds from the database. :parameter db_session: The session of the database. :parameter ac_smiles_strings: The SMILES strings of the archive chemical compounds. :parameter acs_created_by: The user of the database inserting the archive chemical compounds. :returns: The IDs of the archive chemical compounds. .. py:method:: _insert_archive_compound_sources(db_session: sqlalchemy.orm.Session, ac_ids: Iterable[int], as_id: int) -> None :staticmethod: Insert the archive chemical compound sources into the database. :parameter db_session: The session of the database. :parameter ac_ids: The IDs of the archive chemical compounds. :parameter as_id: The ID of the archive source. .. py:method:: insert_archive_compounds(db_session: sqlalchemy.orm.Session, acs: Iterable[str], acs_created_by: str, as_id: int) -> None :staticmethod: Insert the archive chemical compounds into the database. :parameter db_session: The session of the database. :parameter acs: The archive chemical compounds: [ `ac_smiles`, ... ]. :parameter acs_created_by: The user of the database inserting the archive chemical compounds. :parameter as_id: The ID of the archive source. .. py:method:: _insert_and_select_archive_reactions(db_session: sqlalchemy.orm.Session, ar_smiles_strings: Iterable[str], ars_created_by: str) -> List[int] :staticmethod: Insert and select the archive chemical reactions from the database. :parameter db_session: The session of the database. :parameter ar_smiles_strings: The SMILES strings of the archive chemical reactions. :parameter ars_created_by: The user of the database inserting the archive chemical reactions. :returns: The IDs of the archive chemical reactions. .. py:method:: _insert_archive_reaction_sources(db_session: sqlalchemy.orm.Session, ar_ids: Iterable[int], as_id: int) -> None :staticmethod: Insert the archive chemical reaction sources into the database. :parameter db_session: The session of the database. :parameter ar_ids: The IDs of the archive chemical reactions. :parameter as_id: The ID of the archive source. .. py:method:: insert_archive_reactions(db_session: sqlalchemy.orm.Session, ars: Iterable[str], ars_created_by: str, as_id: int) -> None :staticmethod: Insert the archive chemical reactions into the database. :parameter db_session: The session of the database. :parameter ars: The archive chemical reactions: [ `ar_smiles`, ... ]. :parameter ars_created_by: The user of the database inserting the archive chemical reactions. :parameter as_id: The ID of the archive source. .. py:method:: _insert_and_select_archive_compound_patterns(db_session: sqlalchemy.orm.Session, acp_smarts_strings: Iterable[str], acps_created_by: str) -> List[int] :staticmethod: Insert and select the archive chemical compound patterns from the database. :parameter db_session: The session of the database. :parameter acp_smarts_strings: The SMARTS strings of the archive chemical compound patterns. :parameter acps_created_by: The user of the database inserting the archive chemical compound patterns. :returns: The IDs of the archive chemical compound patterns. .. py:method:: _insert_archive_compound_pattern_sources(db_session: sqlalchemy.orm.Session, acp_ids: Iterable[int], as_id: int) -> None :staticmethod: Insert the archive chemical compound pattern sources into the database. :parameter db_session: The session of the database. :parameter acp_ids: The IDs of the archive chemical compound patterns. :parameter as_id: The ID of the archive source. .. py:method:: insert_archive_compound_patterns(db_session: sqlalchemy.orm.Session, acps: Iterable[str], acps_created_by: str, as_id: int) -> None :staticmethod: Insert the archive chemical compound patterns into the database. :parameter db_session: The session of the database. :parameter acps: The archive chemical compound patterns: [ `acp_smarts`, ... ]. :parameter acps_created_by: The user of the database inserting the archive chemical compound patterns. :parameter as_id: The ID of the archive source. .. py:method:: _insert_and_select_archive_reaction_patterns(db_session: sqlalchemy.orm.Session, arp_smarts_strings: Iterable[str], arps_created_by: str) -> List[int] :staticmethod: Insert and select the archive chemical reaction patterns from the database. :parameter db_session: The session of the database. :parameter arp_smarts_strings: The SMARTS strings of the archive chemical reaction patterns. :parameter arps_created_by: The user of the database inserting the archive chemical reaction patterns. :returns: The IDs of the archive chemical reaction patterns. .. py:method:: _insert_archive_reaction_pattern_sources(db_session: sqlalchemy.orm.Session, arp_ids: Iterable[int], as_id: int) -> None :staticmethod: Insert the archive chemical reaction pattern sources into the database. :parameter db_session: The session of the database. :parameter arp_ids: The IDs of the archive chemical reaction patterns. :parameter as_id: The ID of the archive source. .. py:method:: insert_archive_reaction_patterns(db_session: sqlalchemy.orm.Session, arps: Iterable[str], arps_created_by: str, as_id: int) -> None :staticmethod: Insert the archive chemical reaction patterns into the database. :parameter db_session: The session of the database. :parameter arps: The archive chemical reaction patterns: [ `arp_smarts`, ... ]. :parameter arps_created_by: The user of the database inserting the archive chemical reaction patterns. :parameter as_id: The ID of the archive source. .. py:method:: _insert_and_select_workbench_compounds(db_session: sqlalchemy.orm.Session, wc_smiles_strings: Iterable[str], wcs_are_building_blocks: Optional[bool], wcs_created_by: str) -> Dict[str, int] :staticmethod: Insert and select the workbench chemical compounds from the database. :parameter db_session: The session of the database. :parameter wc_smiles_strings: The SMILES strings of the workbench chemical compounds. :parameter wcs_are_building_blocks: The indicator of whether the workbench chemical compounds are building blocks. :parameter wcs_created_by: The user of the database inserting the workbench chemical compounds. :returns: The SMILES string to ID dictionary of the workbench chemical compounds. .. py:method:: _insert_workbench_compound_archives(db_session: sqlalchemy.orm.Session, ac_ids_and_wc_smiles_strings: Iterable[Tuple[int, str]], wcs_smiles_to_id: Dict[str, int]) -> None :staticmethod: Insert the workbench chemical compound archives into the database. :parameter db_session: The session of the database. :parameter ac_ids_and_wc_smiles_strings: The IDs of the archive chemical compounds and SMILES strings of the workbench chemical compounds. :parameter wcs_smiles_to_id: The SMILES string to ID dictionary of the workbench chemical compounds. .. py:method:: insert_workbench_compounds(db_session: sqlalchemy.orm.Session, wcs: Iterable[Tuple[int, str]], wcs_are_building_blocks: Optional[bool], wcs_created_by: str) -> None :staticmethod: Insert the workbench chemical compounds into the database. :parameter db_session: The session of the database. :parameter wcs: The workbench chemical compounds: [ ( `ac_id`, `wc_smiles`, ), ... ]. :parameter wcs_are_building_blocks: The indicator of whether the workbench chemical compounds are building blocks. :parameter wcs_created_by: The user of the database inserting the workbench chemical compounds. .. py:method:: _insert_and_select_workbench_reactions(db_session: sqlalchemy.orm.Session, wr_smiles_strings: Iterable[str], wrs_created_by: str) -> Dict[str, int] :staticmethod: Insert and select the workbench chemical reactions from the database. :parameter db_session: The session of the database. :parameter wr_smiles_strings: The SMILES strings of the workbench chemical reactions. :parameter wrs_created_by: The user of the database inserting the workbench chemical reactions. :returns: The workbench chemical reaction SMILES string to ID dictionary. .. py:method:: _insert_workbench_reaction_archives(db_session: sqlalchemy.orm.Session, ar_ids_and_wr_smiles_strings: Iterable[Tuple[int, str]], wrs_smiles_to_id: Mapping[str, int]) -> None :staticmethod: Insert the workbench chemical reaction archives into the database. :parameter db_session: The session of the database. :parameter ar_ids_and_wr_smiles_strings: The IDs of the archive chemical reactions and SMILES strings of the workbench chemical reactions. :parameter wrs_smiles_to_id: The SMILES string to ID mapping of the workbench chemical reactions. .. py:method:: _insert_workbench_reaction_reactant_compounds(db_session: sqlalchemy.orm.Session, wr_smiles_strings_and_wrrc_smiles_strings: Iterable[Tuple[str, str]], wrrcs_created_by: str, wrs_smiles_to_id: Mapping[str, int]) -> None :staticmethod: Insert the workbench chemical reaction reactant compounds into the database. :parameter db_session: The session of the database. :parameter wr_smiles_strings_and_wrrc_smiles_strings: The SMILES strings of the workbench chemical reactions and SMILES strings of the workbench chemical reaction reactant compounds. :parameter wrrcs_created_by: The user of the database inserting the workbench chemical reaction reactant compounds. :parameter wrs_smiles_to_id: The SMILES string to ID mapping of the workbench chemical reactions. .. py:method:: _insert_workbench_reaction_spectator_compounds(db_session: sqlalchemy.orm.Session, wr_smiles_strings_and_wrsc_smiles_strings: Iterable[Tuple[str, str]], wrscs_created_by: str, wrs_smiles_to_id: Mapping[str, int]) -> None :staticmethod: Insert the workbench chemical reaction spectator compounds into the database. :parameter db_session: The session of the database. :parameter wr_smiles_strings_and_wrsc_smiles_strings: The SMILES strings of the workbench chemical reactions and SMILES strings of the workbench chemical reaction spectator compounds. :parameter wrscs_created_by: The user of the database inserting the workbench chemical reaction spectator compounds. :parameter wrs_smiles_to_id: The SMILES string to ID mapping of the workbench chemical reactions. .. py:method:: _insert_workbench_reaction_product_compounds(db_session: sqlalchemy.orm.Session, wr_smiles_strings_and_wrpc_smiles_strings: Iterable[Tuple[str, str]], wrpcs_created_by: str, wrs_smiles_to_id: Mapping[str, int]) -> None :staticmethod: Insert the workbench chemical reaction product compounds into the database. :parameter db_session: The session of the database. :parameter wr_smiles_strings_and_wrpc_smiles_strings: The SMILES strings of the workbench chemical reactions and SMILES strings of the workbench chemical reaction product compounds. :parameter wrpcs_created_by: The user of the database inserting the workbench chemical reaction product compounds. :parameter wrs_smiles_to_id: The SMILES string to ID mapping of the workbench chemical reactions. .. py:method:: insert_workbench_reactions(db_session: sqlalchemy.orm.Session, wrs: Iterable[Tuple[int, str, Iterable[str], Iterable[str], Iterable[str]]], wrs_created_by: str) -> None :staticmethod: Insert the workbench chemical reactions into the database. :parameter db_session: The session of the database. :parameter wrs: The workbench chemical reactions: [ ( `ar_id`, `wr_smiles`, `wrrc_smiles_strings`, `wrsc_smiles_strings`, `wrpc_smiles_strings`, ), ... ]. :parameter wrs_created_by: The user of the database inserting the workbench chemical reactions. .. py:method:: _insert_and_select_workbench_compound_patterns(db_session: sqlalchemy.orm.Session, wcp_smarts_strings: Iterable[str], wcps_created_by: str) -> Dict[str, int] :staticmethod: Insert and select the workbench chemical compound patterns from the database. :parameter db_session: The session of the database. :parameter wcp_smarts_strings: The SMARTS strings of the workbench chemical compound patterns. :parameter wcps_created_by: The user of the database inserting the workbench chemical compound patterns. :returns: The SMARTS string to ID dictionary of the workbench chemical compound patterns. .. py:method:: _insert_workbench_compound_pattern_archives(db_session: sqlalchemy.orm.Session, acp_ids_and_wcp_smarts_strings: Iterable[Tuple[int, str]], wcps_smarts_to_id: Mapping[str, int]) -> None :staticmethod: Insert the workbench chemical compound pattern archives into the database. :parameter db_session: The session of the database. :parameter acp_ids_and_wcp_smarts_strings: The IDs of the archive chemical compound patterns and SMARTS strings of the workbench chemical compound patterns. :parameter wcps_smarts_to_id: The SMARTS string to ID dictionary of the workbench chemical compound patterns. .. py:method:: insert_workbench_compound_patterns(db_session: sqlalchemy.orm.Session, wcps: Iterable[Tuple[int, str]], wcps_created_by: str) -> None :staticmethod: Insert the workbench chemical compound patterns into the database. :parameter db_session: The session of the database. :parameter wcps: The workbench chemical compound patterns: [ ( `acp_id`, `wcp_smarts`, ), ... ]. :parameter wcps_created_by: The user of the database inserting the workbench chemical compound patterns. .. py:method:: _insert_and_select_workbench_reaction_patterns(db_session: sqlalchemy.orm.Session, wrp_smarts_strings: Iterable[str], wrps_created_by: str) -> Dict[str, int] :staticmethod: Insert and select the workbench chemical reaction patterns from the database. :parameter db_session: The session of the database. :parameter wrp_smarts_strings: The SMARTS strings of the workbench chemical reaction patterns. :parameter wrps_created_by: The user of the database inserting the workbench chemical reaction patterns. :returns: The SMARTS string to ID dictionary of the workbench chemical reaction patterns. .. py:method:: _insert_workbench_reaction_pattern_archives(db_session: sqlalchemy.orm.Session, arp_ids_and_wrp_smarts_strings: Iterable[Tuple[int, str]], wrps_smarts_to_id: Mapping[str, int]) -> None :staticmethod: Insert the workbench chemical reaction pattern archives into the database. :parameter db_session: The session of the database. :parameter arp_ids_and_wrp_smarts_strings: The IDs of the archive chemical reaction patterns and SMARTS strings of the workbench chemical reaction patterns. :parameter wrps_smarts_to_id: The SMARTS string to ID dictionary of the workbench chemical reaction patterns. .. py:method:: _insert_workbench_reaction_reactant_compound_patterns(db_session: sqlalchemy.orm.Session, wrp_smarts_strings_and_wrrcp_smarts_strings: Iterable[Tuple[str, str]], wrrcps_created_by: str, wrps_smarts_to_id: Mapping[str, int]) -> None :staticmethod: Insert the workbench chemical reaction reactant compound patterns into the database. :parameter db_session: The session of the database. :parameter wrp_smarts_strings_and_wrrcp_smarts_strings: The SMARTS strings of the workbench chemical reaction patterns and SMARTS strings of the workbench chemical reaction reactant compound patterns. :parameter wrrcps_created_by: The user of the database inserting the workbench chemical reaction reactant compound patterns. :parameter wrps_smarts_to_id: The SMARTS string to ID dictionary of the workbench chemical reaction patterns. .. py:method:: _insert_workbench_reaction_spectator_compound_patterns(db_session: sqlalchemy.orm.Session, wrp_smarts_strings_and_wrscp_smarts_strings: Iterable[Tuple[str, str]], wrscps_created_by: str, wrps_smarts_to_id: Mapping[str, int]) -> None :staticmethod: Insert the workbench chemical reaction spectator compound patterns into the database. :parameter db_session: The session of the database. :parameter wrp_smarts_strings_and_wrscp_smarts_strings: The SMARTS strings of the workbench chemical reaction patterns and SMARTS strings of the workbench chemical reaction spectator compound patterns. :parameter wrscps_created_by: The user of the database inserting the workbench chemical reaction spectator compound patterns. :parameter wrps_smarts_to_id: The SMARTS string to ID dictionary of the workbench chemical reaction patterns. .. py:method:: _insert_workbench_reaction_product_compound_patterns(db_session: sqlalchemy.orm.Session, wrp_smarts_strings_and_wrpcp_smarts_strings: Iterable[Tuple[str, str]], wrpcps_created_by: str, wrps_smarts_to_id: Mapping[str, int]) -> None :staticmethod: Insert the workbench chemical reaction product compound patterns into the database. :parameter db_session: The session of the database. :parameter wrp_smarts_strings_and_wrpcp_smarts_strings: The SMARTS strings of the workbench chemical reaction patterns and SMARTS strings of the workbench chemical reaction product compound patterns. :parameter wrpcps_created_by: The user of the database inserting the workbench chemical reaction product compound patterns. :parameter wrps_smarts_to_id: The SMARTS string to ID dictionary of the workbench chemical reaction patterns. .. py:method:: insert_workbench_reaction_patterns(db_session: sqlalchemy.orm.Session, wrps: Iterable[Tuple[int, str, Iterable[str], Iterable[str], Iterable[str]]], wrps_created_by: str) -> None :staticmethod: Insert the workbench chemical reaction patterns into the database. :parameter db_session: The session of the database. :parameter wrps: The workbench chemical reaction patterns: [ ( `arp_id`, `wrp_smarts`, `wrrcp_smarts_strings`, `wrscp_smarts_strings`, `wrpcp_smarts_strings`, ), ... ]. :parameter wrps_created_by: The user of the database inserting the workbench chemical reaction patterns. .. py:method:: _insert_workbench_reaction_transformation_patterns(db_session: sqlalchemy.orm.Session, wr_ids_and_wrp_smarts_strings: Iterable[Tuple[int, str]], wrps_smarts_to_id: Mapping[str, int]) -> None :staticmethod: Insert the workbench chemical reaction transformation patterns into the database. :parameter db_session: The session of the database. :parameter wr_ids_and_wrp_smarts_strings: The IDs of the workbench chemical reactions and SMARTS strings of the workbench chemical reaction patterns. :parameter wrps_smarts_to_id: The SMARTS string to ID dictionary of the workbench chemical reaction patterns. .. py:method:: insert_workbench_reaction_transformation_patterns(db_session: sqlalchemy.orm.Session, wrtps: Iterable[Tuple[int, str, Iterable[str], Iterable[str], Iterable[str]]], wrtps_created_by: str) -> None :staticmethod: Insert the workbench chemical reaction transformation patterns into the database. :parameter db_session: The session of the database. :parameter wrtps: The workbench chemical reaction transformation patterns: [ ( `wr_id`, `wrp_smarts`, `wrrcp_smarts_strings`, `wrscp_smarts_strings`, `wrpcp_smarts_strings`, ), ... ]. :parameter wrtps_created_by: The user of the database inserting the workbench chemical reaction transformation patterns. .. py:class:: CaCSSQLiteDatabaseSelectUtility The computer-assisted chemical synthesis (CaCS) SQLite database select utility class. .. py:method:: _add_archive_source_where_clause_to_select_statement(select_statement: sqlalchemy.sql.selectable.Select[Any], as_names_versions_and_file_names: Iterable[Tuple[str, str, str]]) -> sqlalchemy.sql.selectable.Select[Any] :staticmethod: Add the archive source where clause to a select statement of the database. :parameter select_statement: The select statement of the database. :parameter as_names_versions_and_file_names: The names, versions, and file names of the archive sources. :returns: The select statement of the database with the archive source where clause. .. py:method:: construct_archive_compound_select_statement() -> sqlalchemy.sql.selectable.Select[ncsw_data.storage.cacs.sqlite_db.utility.typing.CaCSSQLiteDatabaseArchiveCompoundTuple] :staticmethod: Construct the archive chemical compound select statement of the database. :returns: The archive chemical compound select statement of the database. .. py:method:: construct_archive_compound_from_source_select_statement(as_names_versions_and_file_names: Optional[Iterable[Tuple[str, str, str]]]) -> sqlalchemy.sql.selectable.Select[ncsw_data.storage.cacs.sqlite_db.utility.typing.CaCSSQLiteDatabaseArchiveCompoundFromSourceTuple] :staticmethod: Construct the archive chemical compound from source select statement of the database. :parameter as_names_versions_and_file_names: The names, versions, and file names of the archive sources from which the archive chemical compounds should be retrieved. :returns: The archive chemical compound from source select statement of the database. .. py:method:: construct_archive_reaction_select_statement() -> sqlalchemy.sql.selectable.Select[ncsw_data.storage.cacs.sqlite_db.utility.typing.CaCSSQLiteDatabaseArchiveReactionTuple] :staticmethod: Construct the archive chemical reaction select statement of the database. :returns: The archive chemical reaction select statement of the database. .. py:method:: construct_archive_reaction_from_source_select_statement(as_names_versions_and_file_names: Optional[Iterable[Tuple[str, str, str]]]) -> sqlalchemy.sql.selectable.Select[ncsw_data.storage.cacs.sqlite_db.utility.typing.CaCSSQLiteDatabaseArchiveReactionFromSourceTuple] :staticmethod: Construct the archive chemical reaction from source select statement of the database. :parameter as_names_versions_and_file_names: The names, versions, and file names of the archive sources from which the archive chemical reactions should be retrieved. :returns: The archive chemical reaction from source select statement of the database. .. py:method:: construct_archive_compound_pattern_select_statement() -> sqlalchemy.sql.selectable.Select[ncsw_data.storage.cacs.sqlite_db.utility.typing.CaCSSQLiteDatabaseArchiveCompoundPatternTuple] :staticmethod: Construct the archive chemical compound pattern select statement of the database. :returns: The archive chemical compound pattern select statement of the database. .. py:method:: construct_archive_compound_pattern_from_source_select_statement(as_names_versions_and_file_names: Optional[Iterable[Tuple[str, str, str]]]) -> sqlalchemy.sql.selectable.Select[ncsw_data.storage.cacs.sqlite_db.utility.typing.CaCSSQLiteDatabaseArchiveCompoundPatternFromSourceTuple] :staticmethod: Construct the archive chemical compound pattern from source select statement of the database. :parameter as_names_versions_and_file_names: The names, versions, and file names of the archive sources from which the archive chemical compound patterns should be retrieved. :returns: The archive chemical compound pattern from source select statement of the database. .. py:method:: construct_archive_reaction_pattern_select_statement() -> sqlalchemy.sql.selectable.Select[ncsw_data.storage.cacs.sqlite_db.utility.typing.CaCSSQLiteDatabaseArchiveReactionPatternTuple] :staticmethod: Construct the archive chemical reaction pattern select statement of the database. :returns: The archive chemical reaction pattern select statement of the database. .. py:method:: construct_archive_reaction_pattern_from_source_select_statement(as_names_versions_and_file_names: Optional[Iterable[Tuple[str, str, str]]]) -> sqlalchemy.sql.selectable.Select[ncsw_data.storage.cacs.sqlite_db.utility.typing.CaCSSQLiteDatabaseArchiveReactionPatternFromSourceTuple] :staticmethod: Construct the archive chemical reaction pattern from source select statement of the database. :parameter as_names_versions_and_file_names: The names, versions, and file names of the archive sources from which the archive chemical reaction patterns should be retrieved. :returns: The archive chemical reaction pattern from source select statement of the database. .. py:method:: construct_workbench_compound_select_statement(wcs_are_building_blocks: Optional[bool]) -> sqlalchemy.sql.selectable.Select[ncsw_data.storage.cacs.sqlite_db.utility.typing.CaCSSQLiteDatabaseWorkbenchCompoundTuple] :staticmethod: Construct the workbench chemical compound select statement of the database. :parameter wcs_are_building_blocks: The indicator of whether the workbench chemical compounds are building blocks. :returns: The workbench chemical compound select statement of the database. .. py:method:: construct_workbench_compound_from_source_select_statement(wcs_are_building_blocks: Optional[bool], as_names_versions_and_file_names: Optional[Iterable[Tuple[str, str, str]]]) -> sqlalchemy.sql.selectable.Select[ncsw_data.storage.cacs.sqlite_db.utility.typing.CaCSSQLiteDatabaseWorkbenchCompoundFromSourceTuple] :staticmethod: Construct the workbench chemical compound from source select statement of the database. :parameter wcs_are_building_blocks: The indicator of whether the workbench chemical compounds are building blocks. :parameter as_names_versions_and_file_names: The names, versions, and file names of the archive sources from which the workbench chemical compounds should be retrieved. :returns: The workbench chemical compound from source select statement of the database. .. py:method:: construct_workbench_reaction_select_statement(wrrc_smiles_strings: Optional[Iterable[str]], wrsc_smiles_strings: Optional[Iterable[str]], wrpc_smiles_strings: Optional[Iterable[str]]) -> sqlalchemy.sql.selectable.Select[ncsw_data.storage.cacs.sqlite_db.utility.typing.CaCSSQLiteDatabaseWorkbenchReactionTuple] :staticmethod: Construct the workbench chemical reaction select statement of the database. :parameter wrrc_smiles_strings: The SMILES strings of the workbench chemical reaction reactant compounds. :parameter wrsc_smiles_strings: The SMILES strings of the workbench chemical reaction spectator compounds. :parameter wrpc_smiles_strings: The SMILES strings of the workbench chemical reaction product compounds. :returns: The workbench chemical reaction select statement of the database. .. py:method:: construct_workbench_reaction_from_source_select_statement(wrrc_smiles_strings: Optional[Iterable[str]], wrsc_smiles_strings: Optional[Iterable[str]], wrpc_smiles_strings: Optional[Iterable[str]], as_names_versions_and_file_names: Optional[Iterable[Tuple[str, str, str]]]) -> sqlalchemy.sql.selectable.Select[ncsw_data.storage.cacs.sqlite_db.utility.typing.CaCSSQLiteDatabaseWorkbenchReactionFromSourceTuple] :staticmethod: Construct the workbench chemical reaction from source select statement of the database. :parameter wrrc_smiles_strings: The SMILES strings of the workbench chemical reaction reactant compounds. :parameter wrsc_smiles_strings: The SMILES strings of the workbench chemical reaction spectator compounds. :parameter wrpc_smiles_strings: The SMILES strings of the workbench chemical reaction product compounds. :parameter as_names_versions_and_file_names: The names, versions, and file names of the archive sources from which the workbench chemical reactions should be retrieved. :returns: The workbench chemical reaction from source select statement of the database. .. py:method:: construct_workbench_compound_pattern_select_statement() -> sqlalchemy.sql.selectable.Select[ncsw_data.storage.cacs.sqlite_db.utility.typing.CaCSSQLiteDatabaseWorkbenchCompoundPatternTuple] :staticmethod: Construct the workbench chemical compound pattern select statement of the database. :returns: The workbench chemical compound pattern select statement of the database. .. py:method:: construct_workbench_compound_pattern_from_source_select_statement(as_names_versions_and_file_names: Optional[Iterable[Tuple[str, str, str]]]) -> sqlalchemy.sql.selectable.Select[ncsw_data.storage.cacs.sqlite_db.utility.typing.CaCSSQLiteDatabaseWorkbenchCompoundPatternFromSourceTuple] :staticmethod: Construct the workbench chemical compound pattern from source select statement of the database. :parameter as_names_versions_and_file_names: The names, versions, and file names of the archive sources from which the workbench chemical compound patterns should be retrieved. :returns: The workbench chemical compound pattern from source select statement of the database. .. py:method:: construct_workbench_reaction_pattern_select_statement(wrrcp_smarts_strings: Optional[Iterable[str]], wrscp_smarts_strings: Optional[Iterable[str]], wrpcp_smarts_strings: Optional[Iterable[str]]) -> sqlalchemy.sql.selectable.Select[ncsw_data.storage.cacs.sqlite_db.utility.typing.CaCSSQLiteDatabaseWorkbenchReactionPatternTuple] :staticmethod: Construct the workbench chemical reaction pattern select statement of the database. :parameter wrrcp_smarts_strings: The SMARTS strings of the workbench chemical reaction reactant compound patterns. :parameter wrscp_smarts_strings: The SMARTS strings of the workbench chemical reaction spectator compound patterns. :parameter wrpcp_smarts_strings: The SMARTS strings of the workbench chemical reaction product compound patterns. :returns: The workbench chemical reaction pattern select statement of the database. .. py:method:: construct_workbench_reaction_pattern_from_source_select_statement(wrrcp_smarts_strings: Optional[Iterable[str]], wrscp_smarts_strings: Optional[Iterable[str]], wrpcp_smarts_strings: Optional[Iterable[str]], as_names_versions_and_file_names: Optional[Iterable[Tuple[str, str, str]]]) -> sqlalchemy.sql.selectable.Select[ncsw_data.storage.cacs.sqlite_db.utility.typing.CaCSSQLiteDatabaseWorkbenchReactionPatternFromSourceTuple] :staticmethod: Construct the workbench chemical reaction pattern from source select statement of the database. :parameter wrrcp_smarts_strings: The SMARTS strings of the workbench chemical reaction reactant compound patterns. :parameter wrscp_smarts_strings: The SMARTS strings of the workbench chemical reaction spectator compound patterns. :parameter wrpcp_smarts_strings: The SMARTS strings of the workbench chemical reaction product compound patterns. :parameter as_names_versions_and_file_names: The names, versions, and file names of the archive sources from which the workbench chemical reaction patterns should be retrieved. :returns: The workbench chemical reaction pattern from source select statement of the database. .. py:method:: construct_reversed_synthesis_route_select_statement(wc_smiles: str, reversed_sr_maximum_depth: int) -> sqlalchemy.sql.selectable.Select[Tuple[int, int, str, bool, bool, Optional[int], Optional[int], Optional[str]]] :staticmethod: Construct the reversed chemical synthesis route select statement of the database. :parameter wc_smiles: The SMILES string of the workbench chemical compound. :parameter reversed_sr_maximum_depth: The maximum depth of the reversed chemical synthesis routes. :returns: The reversed chemical synthesis route select statement of the database. .. py:data:: CaCSSQLiteDatabaseArchiveCompoundTuple .. py:data:: CaCSSQLiteDatabaseArchiveCompoundFromSourceTuple .. py:data:: CaCSSQLiteDatabaseArchiveCompoundPatternTuple .. py:data:: CaCSSQLiteDatabaseArchiveCompoundPatternFromSourceTuple .. py:data:: CaCSSQLiteDatabaseArchiveReactionTuple .. py:data:: CaCSSQLiteDatabaseArchiveReactionFromSourceTuple .. py:data:: CaCSSQLiteDatabaseArchiveReactionPatternTuple .. py:data:: CaCSSQLiteDatabaseArchiveReactionPatternFromSourceTuple .. py:data:: CaCSSQLiteDatabaseWorkbenchCompoundTuple .. py:data:: CaCSSQLiteDatabaseWorkbenchCompoundFromSourceTuple .. py:data:: CaCSSQLiteDatabaseWorkbenchCompoundPatternTuple .. py:data:: CaCSSQLiteDatabaseWorkbenchCompoundPatternFromSourceTuple .. py:data:: CaCSSQLiteDatabaseWorkbenchReactionTuple .. py:data:: CaCSSQLiteDatabaseWorkbenchReactionFromSourceTuple .. py:data:: CaCSSQLiteDatabaseWorkbenchReactionPatternTuple .. py:data:: CaCSSQLiteDatabaseWorkbenchReactionPatternFromSourceTuple