read_structure

ezga_lib_class.read_structure(structure_id=None, agent_id=None, row_index=None, payload_load=True)

Read a structure by row index or agent and structure ID.

Parameters:

  • structure_id (int, optional) – Identifier of the structure. Default: None.

  • agent_id (int, optional) – EZGA agent identifier; None includes all agents in list queries. Default: None.

  • row_index (int, optional) – Zero-based table row index; when supplied to a reader, takes precedence over identifier lookup. Default: None.

  • payload_load (bool, optional) – Decode stored structure payloads, including coordinates and ASE atoms. Default: True.

Returns:

EzgaStructure or None – Structure view, or None when absent. Supply agent_id to distinguish IDs reused by different agents.

Raises:

ValueError – Neither row_index nor structure_id is supplied for a nonempty table.