SummaryBuilder
- class emmet.builders.materials.summary.SummaryBuilder(materials, thermo, xas, chemenv, absorption, grain_boundaries, electronic_structure, magnetism, elasticity, dielectric, piezoelectric, phonon, insertion_electrodes, substrates, surfaces, oxi_states, eos, provenance, charge_density_index, summary, thermo_type=ThermoType.GGA_GGA_U_R2SCAN.value, chunk_size=100, query=None, **kwargs)
Bases:
Builder- get_items()
Gets all items to process
- Returns:
list of relevant materials and data
- prechunk(number_splits)
Prechunk method to perform chunking by the key field
- Parameters:
number_splits (int)
- process_item(item)
Process an item. There should be no database operations in this method. Default behavior is to return the item.
- Arguments:
item:
- Returns:
item: an item to update
- update_targets(items)
Copy each summary doc to the store
- Args:
items ([dict]): A list of dictionaries of mpid document pairs to update