state_class¶

class soda_analyzer.state_class(h5_lib, stateID, proc_load=False, structure_load=False, storesummariesinfile=True)¶

Inspect one AKMC/APE state, its structures, and its process summaries.

Parameters:

h5_lib (h5py.File) – Open SODA HDF5 file. Keep it open while using views derived from it.
stateID (int) – State identifier in /States.
proc_load (bool, optional) – Populate process objects while loading states. Default: False.
structure_load (bool, optional) – Construct ASE structure objects during loading rather than on a later request. Default: False.
storesummariesinfile (bool, optional) – Read stored per-state search summaries when true; skip those summaries when false. Default: True.

Borrowed HDF5 handle.

stateID¶

State identifier.

proc_list¶

Process views populated when requested.

Notes

Available under the public name AkmcApeState; state_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¶

`get_atoms`	Build an ASE structure from stored coordinates and fixed-atom flags.
`get_barrier_list`	Read barrier list.
`get_cell`	Read the selected structure cell in ASE convention.
`get_energy`	Read the stored energy of a process structure.
`get_fixed_list`	Read the fixed-atom mask for the selected structure.
`get_force_calls`	Read force calls.
`get_pos`	Read reconstructed atomic positions for the selected structure.
`get_prefactor_list`	Read prefactor list.
`get_proc_list`	Load and cache process objects belonging to this state.
`get_search_ids`	Read search id list.
`get_species_list`	Read atomic numbers for the selected structure.
`get_stat_repeats_list`	Read stat repeats list.
`get_termination_ids`	Read termination list.
`preload`	Populate selected state caches from the HDF5 file.

`atoms`	Return the cached atoms.
`barrier_list`	Return the cached barrier list.
`cell`	Return the cached cell.
`energy`	Return the cached energy.
`fixed_list`	Return the cached fixed list.
`force_calls`	Return the cached force calls.
`pos`	Return the cached pos.
`prefactor_list`	Return the cached prefactor list.
`proc_num`	Return the cached proc num.
`search_id_list`	Return the cached search id list.
`search_stats`	Return the cached search stats.
`species_list`	Return the cached species list.
`stat_repeats_list`	Return the cached stat repeats list.
`termination_list`	Return the cached termination list.