environment_class

class soda_analyzer.environment_class(h5_lib, registry_row_id, structure_load=False)

Inspect one APE descriptor registry entry and its source atom.

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

  • registry_row_id (int) – Identifier of the descriptor registry row; optional filters accept None for no restriction.

  • structure_load (bool, optional) – Construct ASE structure objects during loading rather than on a later request. Default: False.

registry_row_id

Registry index.

Type:

int

stateID

Source state identifier.

Type:

int

procID

Source process identifier; negative means a base-state structure.

Type:

int

atomID

Central atom index in the full source structure.

Type:

int

Notes

Available under the public name ApeEnvironment; environment_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_atom

Read the central atom associated with a registry row.

get_atoms

Read the full source structure associated with a registry row.

get_embedded_descriptor

Read this environment embedded descriptor vector.

get_full_descriptor

Read the full descriptor referenced by one registry row.

get_registry_row

Read one descriptor registry row.

get_registry_table

Read the complete descriptor registry table.

Attributes

atom

Return the cached the central atom associated with a registry row.

atoms

Return the cached the full source structure associated with a registry row.

embedded_descriptor

Return the cached this environment embedded descriptor vector.

full_descriptor

Return the cached the full descriptor referenced by one registry row.