msmbuilder.metrics.baseclasses.Vectorized.many_to_many¶
- Vectorized.many_to_many(prepared_traj1, prepared_traj2, indices1, indices2)[source]¶
Get a matrix of distances from each frame in a set to each other frame in a second set.
Calculate a MATRIX of distances from the frames in prepared_traj1 with indices indices1 to the frames in prepared_traj2 with indices indices2, using supplied metric.
Parameters: prepared_traj1 : ndarray
First prepared trajectory
prepared_traj2 : ndarray
Second prepared trajectory
indices1 : array_like
list of indices in prepared_traj1 to calculate the distances from
indices2 : array_like
list of indices in prepared_traj2 to calculate the distances to
Returns: distances : ndarray
A 2D array of shape len(indices1) * len(indices2)