msmbuilder.clustering.Hierarchical.get_assignments

Hierarchical.get_assignments(k=None, cutoff_distance=None)

Assign the frames into clusters.

Either supply k, the number of clusters desired, or cutoff_distance, a max diameteric of each cluster

Parameters:

k : int, optional

number of clusters desired

cutoff_distance : float, optional

max diameter of each cluster, as a cutoff

Returns:

assignments : ndarray

2D array of shape num_trajs x length of longest traj. Padded with -1s at the end if not all trajectories are the same length