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"""This test cross-checks our implementation of CODATA against the
implementation that SciPy brings with it.
"""
def test_units():
import numpy as np
from ase.units import CODATA
import scipy.constants.codata
name_map = {'_c': 'speed of light in vacuum',
'_mu0': 'mag. const.',
'_Grav': 'Newtonian constant of gravitation',
'_hplanck': 'Planck constant',
'_e': 'elementary charge',
'_me': 'electron mass',
'_mp': 'proton mass',
'_Nav': 'Avogadro constant',
'_k': 'Boltzmann constant',
'_amu': 'atomic mass unit-kilogram relationship'}
for version in sorted(CODATA.keys()):
print('Checking CODATA version "{0}"'.format(version))
try:
scipy_CODATA = getattr(scipy.constants.codata,
'_physical_constants_{0}'.format(version))
except AttributeError:
print('\tNot available through scipy, skipping')
continue
for unit, scipyname in name_map.items():
aseval = CODATA[version][unit]
try:
scipyval = scipy_CODATA[name_map[unit]][0]
msg = 'Unit "{0}" : '.format(name_map[unit])
ok = True
if np.isclose(aseval, scipyval):
msg += '[OK]'
else:
msg += '[FALSE]'
ok = False
print('\t' + msg)
if not ok:
raise AssertionError
except KeyError:
# 2002 in scipy contains too little data
continue
def test_create_units():
"""Check that units are created and allow attribute access."""
import ase.units
print('Checking create_units and attribute access')
# just use current CODATA version
new_units = ase.units.create_units(ase.units.__codata_version__)
assert new_units.eV == new_units['eV'] == ase.units.eV
for unit_name in new_units.keys():
assert getattr(new_units, unit_name) == getattr(ase.units, unit_name)
assert new_units[unit_name] == getattr(ase.units, unit_name)
test_units()
test_create_units()
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