IDAtom

class sknano.core.atoms.id_atoms.IDAtom(*args, id=0, serial=0, mol=0, **kwargs)[source] [edit on github][source]

Bases: sknano.core.atoms.atoms.Atom

An Atom sub-class with id attributes.

Parameters:
  • element ({str, int}, optional) – A string representation of the element symbol or an integer specifying an element atomic number.
  • id (int, optional) – atom ID
  • mol (int, optional) – molecule ID

Attributes

Z Atomic number \(Z\).
atomID Alias for id.
element Element symbol.
fmtstr Format string.
id id.
m An alias for mass.
mass Atomic mass \(m_a\) in atomic mass units.
mol mol.
moleculeID Alias for mol.
molid An alias for mol.
serial Alias for id.
symbol Element symbol.

Methods

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

Attributes Summary

atomID Alias for id.
id id.
mol mol.
moleculeID Alias for mol.
molid An alias for mol.
serial Alias for id.

Methods Summary

todict() Return dict of constructor parameters.

Attributes Documentation

atomID

Alias for id.

id

id.

mol

mol.

moleculeID

Alias for mol.

molid

An alias for mol.

serial

Alias for id.

Methods Documentation

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

Return dict of constructor parameters.