nebscape_band_class¶

class soda_analyzer.nebscape_band_class(h5_lib, band_id)¶

Lightweight view over one row in /Nebscape/bands.

Parameters:

h5_lib (h5py.File) – Open SODA HDF5 file. Keep it open while using views derived from it.
band_id (int) – Identifier of the interpolated band; optional filters accept None for no restriction.

band_id¶

Band identifier.

pair_id¶

Parent geometry-pair identifier.

is_selected_for_neb¶

Whether the interpolation selection retained this band for NEB.

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¶

`get_endpoint_analysis`	Describe this band and the ancestry of its endpoints.
`get_endpoint_summary`	Describe the initial and final endpoint structures.
`get_geometry_pair`	Read the geometry pair from which this band was interpolated.
`get_images`	Return interpolated input images for this band.
`get_neb_result_images`	Return final NEB result images.
`get_neb_sella_irc_frames`	Return Sella/IRC frames grouped by kind.
`get_neb_sella_irc_info`	Read the Sella/IRC summary for this band.
`get_neb_summary`	Read the NEB summary recorded for this band.