compare_nebscape_native_downstream_outputs

soda_analyzer.compare_nebscape_native_downstream_outputs(soda_source, native_root, *, position_tolerance=1e-05, cell_tolerance=1e-08)

Compare SODA downstream NEBScape endpoints with native staged artifacts.

Parameters:

  • soda_source (str or pathlib.Path or object) – SODA run directory, HDF5 path, or analyzer view supported by the diagnostic.

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

  • position_tolerance (float, optional) – Maximum position difference in angstrom for native-output comparisons. Default: 1e-05.

  • cell_tolerance (float, optional) – Cell comparison tolerance in angstrom. Default: 1e-08.

Returns:

dict – Contains accepted, blocking_reasons, comparison requirements, and downstream endpoint comparison records.