sknano.core.atoms.KDTreeAtomsMixin

class sknano.core.atoms.KDTreeAtomsMixin[source][source]

Mixin Atoms class for KDTree analysis.

Attributes

NNrc Nearest neighbor radius cutoff.
atom_tree KDTree of
distances Neighbor atoms distances.
kNN Number of nearest neighbors to return when querying the kd-tree.
nearest_neighbors Return array of nearest-neighbor atoms for each KDTAtom.
neighbor_distances
neighbors Return array of neighbor atoms.

Methods

neighbor_counts(r)
query_atom_tree([k, eps, p, rc]) Query atom tree for nearest neighbors distances and indices.
query_ball_point(pts, r[, p, eps]) Find all Atoms within distance r of point(s) pts.
update_attrs() Update KDTAtoms attributes.
update_bonds() Update KDTAtom.bonds.
update_neighbors() Update KDTAtom.NN.