NeighborAtom

class sknano.core.atoms.neighbor_atoms.NeighborAtom(*args, neighbors=None, neighbor_map=None, **kwargs)

Bases: sknano.core.atoms.atoms.Atom

An Atom sub-class for neighbor analysis.

Parameters:

• neighbors (Atoms sub-class) –
• neighbor_map (dict) –
• todo (.) – Deprecate/replace neighbors parameter with neighbor_map

Attributes

CN	NeighborAtom coordination number.
NN	Nearest-neighbor Atoms.
Nneighbors	Number of neighbors.
Z	Atomic number \(Z\).
element	Element symbol.
first_neighbors	First nearest neighbors.
fmtstr	Format string.
m	An alias for mass.
mass	Atomic mass \(m_a\) in atomic mass units.
neighbor_distances	Neighbor atom distances.
neighbor_map	Neighbor atoms.
neighbors	Neighbor atoms.
second_neighbors	Second nearest neighbors
symbol	Element symbol.
third_neighbors	Third nearest neighbors

Methods

get_nth_nearest_neighbors(n[, exclusive])	Get the `n`th set of neighbors.
getattr(attr[, default, recursive])	Get atom attribute named attr.
reset_attrs(**kwargs)	Reset atom attributes.
rezero(*args, **kwargs)
set_nth_nearest_neighbors(n, neighbors)	Set nth nearest neighbors
todict()	Return dict of constructor parameters.
update_attrs(**kwargs)	Update atom attributes.

Attributes Summary

CN	NeighborAtom coordination number.
NN	Nearest-neighbor Atoms.
Nneighbors	Number of neighbors.
first_neighbors	First nearest neighbors.
neighbor_distances	Neighbor atom distances.
neighbor_map	Neighbor atoms.
neighbors	Neighbor atoms.
second_neighbors	Second nearest neighbors
third_neighbors	Third nearest neighbors

Methods Summary

get_nth_nearest_neighbors(n[, exclusive])	Get the `n`th set of neighbors.
set_nth_nearest_neighbors(n, neighbors)	Set nth nearest neighbors
todict()	Return dict of constructor parameters.

Attributes Documentation

CN

NeighborAtom coordination number.

NN

Nearest-neighbor Atoms.

Nneighbors

Number of neighbors.

first_neighbors

First nearest neighbors.

neighbor_distances

Neighbor atom distances.

neighbor_map

Neighbor atoms.

neighbors

Neighbor atoms.

second_neighbors

Second nearest neighbors

third_neighbors

Third nearest neighbors

Methods Documentation

get_nth_nearest_neighbors(n, exclusive=True)

Get the `n`th set of neighbors.

set_nth_nearest_neighbors(n, neighbors)

Set nth nearest neighbors

todict()

Return dict of constructor parameters.