"""Checks that writing and reading of NWChem input files is consistent."""
from ase.build import molecule
from ase.calculators.nwchem import NWChem
from ase import io
atoms = molecule('CH3COOH')
calc = NWChem()
calc.write_input(atoms)
atoms2 = io.read('nwchem.nw')
tol = 1e-8
check = sum(abs((atoms.positions - atoms2.positions).ravel()) > tol)
assert check == 0
