dynsight.descriptors.compute_mean_alignment¶

dynsight.descriptors.compute_mean_alignment(neigh_list_t, vectors, metric)[source]¶

Computes the average vector alignment for all the atoms in a frame.

Parameters:

neigh_list_t (list[AtomGroup]) – List of paerticle’s neighbors.
vectors (NDArray[np.float64]) – Vector field associated to each particle.
metric (Callable[[NDArray[np.float64], NDArray[np.float64]], float]) – A metric(vec_i, vec_j) -> float returning a scalar alignment.

Returns:

Average alignment per particle - shape (n_atoms).

Return type:

NDArray[np.float64]