MigrationGraphBuilder

class emmet.builders.mobility.migration_graph.MigrationGraphBuilder(insertion_electrode, migration_graph, algorithm='hops_based', min_hop_distance=1, max_hop_distance=7, populate_sc_fields=True, min_length_sc=8, minmax_num_atoms=(80, 120), ltol=0.2, stol=0.3, angle_tol=5, **kwargs)

Bases: MapBuilder

Parameters:

• insertion_electrode (MongoStore)

• migration_graph (MongoStore)

• algorithm (str)

• min_hop_distance (float)

• max_hop_distance (float)

• populate_sc_fields (bool)

• min_length_sc (float)

• minmax_num_atoms (tuple[int, int])

• ltol (float)

• stol (float)

• angle_tol (float)

unary_function(item)

ufn: Unary function to process item

You do not need to provide values for source.key and source.last_updated_field in the output. Any uncaught exceptions will be caught by process_item and logged to the “error” field in the target document.