ezga_structure_class

class soda_analyzer.ezga_structure_class(h5_lib, row, row_index, payload_load=True)

View over one /EZGA/population/structures row and its payload bytes.

Parameters:

  • h5_lib (h5py.File) – Open SODA HDF5 file. Keep it open while using views derived from it.

  • row (numpy.void) – Structured HDF5 table row to wrap.

  • row_index (int) – Zero-based table row index; when supplied to a reader, takes precedence over identifier lookup.

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

structure_id

Identifier within the originating agent.

Type:

int

agent_id

Originating agent identifier.

Type:

int

atoms

Decoded ASE structure when payload loading is enabled.

Type:

ase.Atoms or None

potential_energy

Stored potential energy in eV.

Type:

float

Notes

Available under the public name EzgaStructure; ezga_structure_class remains a compatible name.

This record borrows its HDF5 handle. Keep the owning library open while accessing related records or lazily loaded data.

Methods

to_dict

Return this record as a dictionary of Python values.