sknano.core.atoms.XYZAtom

class sknano.core.atoms.XYZAtom(*args, *, x=None, y=None, z=None, **kwargs)

An Atom class with x, y, z attributes.

Parameters:

element : {str, int}, optional

A string representation of the element symbol or an integer specifying an element atomic number.

x, y, z : float, optional

\(x, y, z\) components of XYZAtom position vector relative to origin.

Attributes

Z	Atomic number \(Z\).
dr	\(x, y, z\) components of Atom displacement vector.
element	Element symbol.
fmtstr	Format string.
m
mass	Atomic mass \(m_a\) in atomic mass units.
r	\(x, y, z\) components of Atom position vector.
r0	\(x, y, z\) components of Atom position vector at t=0.
symbol	Element symbol.
x	\(x\)-coordinate in units of Angstroms.
y	\(y\)-coordinate in units of Angstroms.
z	\(z\)-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.