CorrectedEntriesBuilder

class emmet.builders.materials.corrected_entries.CorrectedEntriesBuilder(materials, corrected_entries, oxidation_states=None, query=None, compatibility=[None], chunk_size=1000, **kwargs)

Bases: Builder

Parameters:

• materials (Store)

• corrected_entries (Store)

• oxidation_states (Store | None)

• query (dict | None)

• compatibility (list[Compatibility] | list[None] | None)

• chunk_size (int)

ensure_indexes()

Ensures indicies on the tasks and materials collections

prechunk(number_splits)

Part of a domain-decomposition paradigm to allow the builder to operate on multiple nodes by dividing up the IO as well as the compute This function should return an iterator of dictionaries that can be distributed to multiple instances of the builder to get/process/update on.

Return type:

Iterable[dict]

Parameters:

number_splits (int)

Arguments:

number_splits: The number of groups to split the documents to work on

get_items()

Gets whole chemical systems of entries to process

Return type:

Iterator[list[dict]]

process_item(item)

Applies correction schemes to entries and constructs CorrectedEntriesDoc objects

update_targets(items)

Inserts the new corrected entry docs into the corrected entries collection

get_entries(chemsys)

Return type:

list[dict]

Parameters:

chemsys (str)

Gets entries from the materials collection for the corresponding chemical systems Args:

chemsys (str): a chemical system represented by string elements seperated by a dash (-)

Returns:

set (ComputedEntry): a set of entries for this system