msmbuilder.metrics.baseclasses.AbstractDistanceMetric.one_to_many

AbstractDistanceMetric.one_to_many(prepared_traj1, prepared_traj2, index1, indices2)

Calculate the a vector of distances from the index1th frame of prepared_traj1 to all of the indices2 frames of prepared_traj2.

Parameters:

prepared_traj1 : prepared_trajectory

First prepared trajectory

prepared_traj2 : prepared_trajectory

Second prepared trajectory

index1 : int

index in prepared_trajectory

indices2 : ndarray

list of indices in prepared_traj2 to calculate the distances to

Returns:

Vector of distances of length len(indices2) :

Notes

A subclass should be able to provide a more efficient implementation of this