uf3.representation.process.flatten_by_interactions

flatten_by_interactions(vector_map, pair_tuples)

Parameters

• vector_map (dict) – map of vector per interaction.

• pair_tuples (list) – list of pair interactions e.g. [(A-A), (A-B), (A-C), (B-B), …)]

Returns

concatenated result of joining vector_map

in order of occurrence in pair_tuples.

Return type

(np.ndarray)