irreps_stats#

irreps_stats(irreps_ids)[source]#

Compute summary statistics for a sequence of irrep identifiers.

Parameters:

irreps_ids (typing.Iterable) – Sequence of ESCNN irrep IDs.

Returns:

  • unique_ids: unique irrep IDs (sorted by numpy lexical order over their string representation).

  • counts: multiplicity of each unique irrep.

  • indices: first position where each unique irrep appears.

Return type:

tuple