def test_point_charge():
os.chdir(os.path.join(here, 'data', 'xtb'))
XTB.available = True
test_mol = Molecule(name='test_mol', smiles='C')
# Methane with a point charge fairly far away
calc = Calculation(name='opt_point_charge',
molecule=test_mol,
method=method,
keywords=Config.XTB.keywords.opt,
point_charges=[PointCharge(charge=1.0, x=10, y=1, z=1)])
calc.run()
assert -4.178 < calc.get_energy() < -4.175
os.chdir(here)