"""Monotomic Ion"""
import mbuild as mb
[docs]
class MonatomicIon(mb.Compound):
"""
A monatomic ion.
This class initializes a monatomic ion by specifying its element.
Parameters
----------
element : str, optional, default=None
The chemical symbol of the monatomic ion. Must be one of the following:
"H", "Li", "Na", "K", "Rb", "Cs", "Mg", "Ca", "Sr", "Ba", "F", "Cl", "Br", "I".
Examples
--------
>>> from mbuild_polybuild.aa_molecules.ion import MonatomicIon
>>> ion = MonatomicIon(element="Na")
"""
def __init__(self, element=None):
"""
Initialize the monatomic ion.
This method creates a monatomic ion by specifying its element.
Parameters
----------
element : str, optional, default=None
The chemical symbol of the monatomic ion. Must be one of the following:
"H", "Li", "Na", "K", "Rb", "Cs", "Mg", "Ca", "Sr", "Ba", "F", "Cl", "Br", "I".
"""
super(MonatomicIon, self).__init__()
ions = ["H", "Li", "Na", "K", "Rb", "Cs", "Mg", "Ca", "Sr", "Ba", "F", "Cl", "Br", "I"]
if element not in ions:
raise ValueError("element must be one of the following monatomic ions: {}".format(ions))
self.add(mb.Particle(name=element, element=element))
if __name__ == "__main__":
m = MonatomicIon()
m.save("monatomic_ion.mol2", overwrite=True)