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db

Utility functions for interfacing with databases.

results_to_db 

results_to_db(
    store: Store, results: dict[str, Any] | list[dict]
) -> None

Store the results of a quacc recipe in a user-specified Maggma Store. A UUID will be generated for each entry.

Parameters:

  • store (Store) –

    The Maggma Store object to store the results in

  • results (dict[str, Any] | list[dict]) –

    The output summary dictionary or list of dictionaries from a quacc recipe

Returns:

  • None –
Source code in quacc/wflow_tools/db.py 
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def results_to_db(store: Store, results: dict[str, Any] | list[dict]) -> None:
    """
    Store the results of a quacc recipe in a user-specified Maggma Store. A UUID will be
    generated for each entry.

    Parameters
    ----------
    store
        The Maggma Store object to store the results in
    results
        The output summary dictionary or list of dictionaries from a quacc
        recipe

    Returns
    -------
    None
    """
    if not isinstance(results, list):
        results = [results]

    sanitized_results = [
        jsanitize(result, enum_values=True, recursive_msonable=True)
        for result in results
    ]

    for result in sanitized_results:
        result["uuid"] = str(uuid.uuid4())

    with store:
        store.update(sanitized_results, key="uuid")