httk.atomistic.models.sites.record

Classes

RecordSites

Backend for sites stored in an exact record.

Module Contents

class httk.atomistic.models.sites.record.RecordSites(obj, **hints)

Bases: httk.atomistic.models.sites.backend.SitesBackend

Backend for sites stored in an exact record.

Parameters:

• obj (httk.atomistic.storage.records.SitesRecord) – The stored sites record.

• **hints (Any) – Backend-selection hints.

property reduced_coords: httk.core.FracVector

Return the stored reduced coordinates.

Returns:

The exact reduced coordinates.

Return type:

httk.core.FracVector

property precision: fractions.Fraction | None

Return the stored coordinate precision.

Returns:

The fractional precision, or None when unknown.

Return type:

fractions.Fraction | None

reduced_coords_floats()

Return the reduced site coordinates as float rows.

Returns:

The store’s fetched float columns when available, else the exact coordinates as floats.

Return type:

list[list[float]]

property num_sites: int

Return the number of coordinate rows.

Returns:

The store’s fetched row count when available, else the exact row count.

Return type:

int

unwrap()

Return the stored sites record.

Returns:

The source record.

Return type:

httk.atomistic.storage.records.SitesRecord