compare_nebscape_optimize_only_native_outputs

soda_lib_class.compare_nebscape_optimize_only_native_outputs(native_root, **kwargs)

Compare SODA optimize-only MinHop outputs with native minhop.xyz files.

Parameters:

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

• **kwargs (keyword arguments) – Forwarded to the corresponding standalone helper or workflow-view method; see its reference for available options.

Returns:

dict – Structured report from the corresponding analyzer helper.

Notes

See compare_nebscape_optimize_only_native_outputs for report fields and forwarded keyword options. This method supplies the current library as the SODA data source.