sknano.core.atoms.BasisAtom

class sknano.core.atoms.BasisAtom(*args, *, xperiodic=False, yperiodic=False, zperiodic=False, **kwargs)[source][source]

An abstract object representation of a crystal structure basis atom.

Parameters:

lattice : Crystal3DLattice

xs, ys, zs : float

Attributes

Z Atomic number \(Z\).
dr \(x, y, z\) components of Atom displacement vector.
element Element symbol.
fmtstr Format string.
lattice Crystal3DLattice.
m
mass Atomic mass \(m_a\) in atomic mass units.
pbc
r \(x, y, z\) components of Atom position vector.
r0 \(x, y, z\) components of Atom position vector at t=0.
rs \(x, y, z\) components of Atom position vector.
symbol Element symbol.
x \(x\)-coordinate in units of Angstroms.
xperiodic
xs \(x\)-coordinate in units of Angstroms.
y \(y\)-coordinate in units of Angstroms.
yperiodic
ys \(y\)-coordinate in units of Angstroms.
z \(z\)-coordinate in units of Angstroms.
zperiodic
zs \(z\)-coordinate in units of Angstroms.

Methods

get_coords([asdict]) Return atom coords.
rezero([epsilon]) Alias for Atom.rezero_xyz, but calls super class rezero method as well.
rezero_coords([epsilon]) Alias for Atom.rezero_xyz.
rezero_xyz([epsilon]) Re-zero position vector components.
rotate(**kwargs) Rotate Atom position vector.
todict()
translate(t[, fix_anchor_point]) Translate Atom position vector by Vector t.