convert_native_ezga_run_setup_to_soda

soda_analyzer.convert_native_ezga_run_setup_to_soda(native_root, output_root, *, native_config_file=None, structure_file=None, output_native_config_file=None, seed_structures_json='seed_structures.json', seed_structures_xyz='seed_structures.soda.xyz', config_filename='config.ini', hdf5_output_path='', memory_cap_mb=0, worker_groups=None, sage_structure_fields=None, sage_structure_missing_policy=None, trusted_import_prefixes=(), allow_filesystem_imports=False, ezga_config_options=None, overwrite=False, strict=True, print_report=True, text_output=True)

Convert a supported native EZGA run setup skeleton to SODA files.

Parameters:

  • native_root (str or pathlib.Path) – Directory containing the corresponding native workflow input or output files.

  • output_root (str or pathlib.Path) – Destination directory for the converted SODA run setup.

  • native_config_file (str or pathlib.Path, optional) – Native EZGA configuration file; None uses discovery in the native directory. Default: None.

  • structure_file (str or pathlib.Path, optional) – Native seed structure file; None uses the configuration value. Default: None.

  • output_native_config_file (str, optional) – Copied native configuration filename; None derives a name from the source. Default: None.

  • seed_structures_json (str, optional) – Output JSON filename for the converted seed payload. Default: 'seed_structures.json'.

  • seed_structures_xyz (str, optional) – Output XYZ filename for converted seed structures. Default: 'seed_structures.soda.xyz'.

  • config_filename (str, optional) – SODA configuration filename relative to the run directory. Default: 'config.ini'.

  • hdf5_output_path (str, optional) – HDF5 output setting written to the SODA configuration; empty uses the runtime default. Default: ''.

  • memory_cap_mb (int, optional) – Memory cap in MB shared by all EZGA agents. Returned as the --ezga_memory_cap_mb launch option, not an [EZGA] configuration key; zero leaves the default unchanged. Default: 0.

  • worker_groups (int, optional) – Retired compatibility argument. A supplied value produces a diagnostic and is not written to config.ini; use the SODA MPI rank layout to control worker capacity. Default: None.

  • sage_structure_fields (sequence of str, optional) – Optional SAGE structure fields to preserve; None uses the default field policy. Default: None.

  • sage_structure_missing_policy (str, optional) – Missing-field policy for requested optional SAGE structure data. Default: None.

  • trusted_import_prefixes (sequence of str, optional) – Explicit module prefixes trusted when validating native configuration imports. Default: ().

  • allow_filesystem_imports (bool, optional) – Allow filesystem-based imports during native configuration admission. Default: False.

  • ezga_config_options (dict, optional) – Additional EZGA configuration options applied to the generated setup. Default: None.

  • overwrite (bool, optional) – Allow replacement of existing destination files. Default: False.

  • strict (bool, optional) – Reject unsupported or inconsistent input rather than accepting a partial conversion. Default: True.

  • print_report (bool, optional) – Print the formatted report in addition to returning its dictionary. Default: True.

  • text_output (bool, optional) – Use a human-readable report when true, or JSON when false. Default: True.

Returns:

dict – Contains written_files, seed_count, sanitized configuration paths, optional SAGE field policy, ready_to_run, and diagnostics.

Notes

The converter reads native YAML and XYZ files, writes a sanitized native YAML plus SODA config.ini and seed_structures.json, and validates the native YAML against SODA’s EZGA config bridge when that bridge is importable. It never materializes native EZGA objects or launches SODA.