msmbuilder.metrics.AtomPairs.one_to_many¶
- AtomPairs.one_to_many(prepared_traj1, prepared_traj2, index1, indices2)¶
Calculate a vector of distances from one frame of the first trajectory to many frames of the second trajectory
The distances calculated are from the index1`th frame of `prepared_traj1 to the frames in prepared_traj2 with indices indices2
Parameters: prepared_traj1 : ndarray
First prepared trajectory
prepared_traj2 : ndarray
Second prepared trajectory
index1 : int
index in prepared_trajectory
indices2 : ndarray
list of indices in prepared_traj2 to calculate the distances to
Returns: distances : ndarray
Vector of distances of length len(indices2)