msmbuilder.metrics.BooleanContact.one_to_all

BooleanContact.one_to_all(prepared_traj1, prepared_traj2, index1)

Measure the distance from one frame to every frame in a trajectory

The distances calculated are from the index1`th frame of `prepared_traj1 to all the frames in prepared_traj2 with indices indices2. Although this is similar to one_to_many, it can often be computed faster

Parameters:

prepared_traj1 : ndarray

First prepared trajectory

prepared_traj2 : ndarray

Second prepared trajectory

index1 : int

index in prepared_trajectory

Returns:

distances : ndarray

A vector of distances of length len(prepared_traj2)