sknano.core.atoms.KDTreeAtomsMixin

class sknano.core.atoms.KDTreeAtomsMixin

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.