XASBuilder

class emmet.builders.feff.xas.XASBuilder(tasks, xas, num_samples=200, **kwargs)

Bases: GroupBuilder

Generates XAS Docs from FEFF tasks

# TODO: Generate MPID from materials collection rather than from task metadata

Parameters:

• tasks (Store)

• xas (Store)

• num_samples (int)

process_item(spectra)

Process an item. There should be no database operations in this method. Default behavior is to return the item.

Return type:

dict

Parameters:

spectra (list[dict])

Arguments:

item:

Returns:

item: an item to update

update_targets(items)

Group buidler isn’t designed for many-to-many so we unwrap that here