VanDerWaalsAtom

class sknano.core.atoms.VanDerWaalsAtom(*args, r_vdw=0.0, **kwargs)[source] [edit on github][source]

Bases: sknano.core.atoms.atoms.Atom

An Atom class with a van der Waals radius attribute.

Parameters:
  • element ({str, int}, optional) – A string representation of the element symbol or an integer specifying an element atomic number.
  • r_vdw (float, optional) –

Attributes

Z Atomic number \(Z\).
element Element symbol.
fmtstr Format string.
m An alias for mass.
mass Atomic mass \(m_a\) in atomic mass units.
r_vdw van der Waals radius \(r_{\mathrm{vdW}}\) in units of \(\AA\).
symbol Element symbol.

Methods

getattr(attr[, default, recursive]) Get atom attribute named attr.
reset_attrs(**kwargs) Reset atom attributes.
rezero(*args, **kwargs)
todict()
update_attrs(**kwargs) Update atom attributes.

Attributes Summary

r_vdw van der Waals radius \(r_{\mathrm{vdW}}\) in units of \(\AA\).

Methods Summary

todict()

Attributes Documentation

r_vdw

van der Waals radius \(r_{\mathrm{vdW}}\) in units of \(\AA\).

Methods Documentation

todict()[source] [edit on github][source]