Atom

class sknano.core.atoms.Atom(*args, element=None, mass=None, Z=None, parent=None, **kwargs)

Bases: sknano.core.meta.BaseClass

Base class for abstract representation of structure atom.

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

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.
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 Atom constructor parameters.
update_attrs(**kwargs)	Update atom attributes.

Attributes Summary

Z	Atomic number \(Z\).
element	Element symbol.
m	An alias for mass.
mass	Atomic mass \(m_a\) in atomic mass units.
symbol	Element symbol.

Methods Summary

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

Attributes Documentation

Z

Atomic number \(Z\).

Returns:Atomic number \(Z\). Return type:int

element

Element symbol.

Returns:Symbol of chemical element. Return type:str

m

An alias for mass.

mass

Atomic mass \(m_a\) in atomic mass units.

Returns:Atomic mass \(m_a\) in atomic mass units. Return type:float

symbol

Element symbol.

Returns:Element symbol. Return type:str

Methods Documentation

getattr(attr, default=None, recursive=False)

Get atom attribute named attr.

Parameters:

• attr (str) – Name of attribute
• default (object, optional) –
• recursive (bool, optional) –

Returns:

val

Return type:

object

reset_attrs(**kwargs)

Reset atom attributes.

rezero(*args, **kwargs)

todict()

Return dict of Atom constructor parameters.

update_attrs(**kwargs)

Update atom attributes.