reshape_positions

qaa.libs.utils.reshape_positions(positions)

Reshape a n * m * 3 trajectory to a n * (m * 3) 2D matrix.

Parameters

positions (array_like) – A 3-D matrix with shape (n_frames, n_atoms, 3)

Returns

A 2-D array with shape (n_frames, n_atoms * 3)

Return type

NDArray