query_atom_tree(k=16, eps=0, p=2, rc=inf)¶
Query atom tree for nearest neighbors distances and indices.
k : integer
The number of nearest neighbors to return.
eps : nonnegative float
Return approximate nearest neighbors; the kth returned value is guaranteed to be no further than (1+eps) times the distance to the real kth nearest neighbor.
p : float, 1<=p<=infinity
Which Minkowski p-norm to use. 1 is the sum-of-absolute-values “Manhattan” distance 2 is the usual Euclidean distance infinity is the maximum-coordinate-difference distance
rc : nonnegative float
Radius cutoff. Return only neighbors within this distance. This is used to prune tree searches, so if you are doing a series of nearest-neighbor queries, it may help to supply the distance to the nearest neighbor of the most recent point.
d : array of floats
The distances to the nearest neighbors, sorted by distance.
i : array of integers
The locations of the neighbors in self.atom_tree.data.
iis the same shape as d.