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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 ma 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.