mbuild_polybuild.aa_functional_groups.sulfonate.Sulfonate.min_periodic_distance

Sulfonate.min_periodic_distance(xyz0, xyz1)

Vectorized distance calculation considering minimum image.

Only implemented for orthorhombic simulation boxes.

Parameters:

• xyz0 (np.ndarray, shape=(3,), dtype=float) – Coordinates of first point

• xyz1 (np.ndarray, shape=(3,), dtype=float) – Coordinates of second point

Returns:

Vectorized distance between the two points following minimum image convention

Return type:

float