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"""Check that reading and writing masses in .con files is consistent."""
from numpy import asarray
import ase.lattice.compounds
import ase.data
import ase.io
def test_eon_masses():
# Error tolerance.
TOL = 1e-8
data = ase.lattice.compounds.B2(['Cs', 'Cl'], latticeconstant=4.123,
size=(3, 3, 3))
m_Cs = ase.data.atomic_masses[ase.data.atomic_numbers['Cs']]
m_Cl = ase.data.atomic_masses[ase.data.atomic_numbers['Cl']]
con_file = 'pos.con'
# Write and read the .con file.
ase.io.write(con_file, data, format='eon')
data2 = ase.io.read(con_file, format='eon')
# Check masses.
symbols = asarray(data2.get_chemical_symbols())
masses = asarray(data2.get_masses())
assert (abs(masses[symbols == 'Cs'] - m_Cs)).sum() < TOL
assert (abs(masses[symbols == 'Cl'] - m_Cl)).sum() < TOL
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