nebscape_molecule_class

class soda_analyzer.nebscape_molecule_class(h5_lib, molecule_id)

Lightweight view over one row in /Nebscape/molecules.

Parameters:

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

  • molecule_id (int) – Restrict structures to targets containing this molecule; None applies no molecule filter.

Notes

This record borrows its HDF5 handle. Keep the owning library open while accessing related records or lazily loaded data.

Normally obtained from a nebscape_lib_class reader or query. Direct construction requires a valid stored identifier or row index.

Methods