def test_material_add():
matfile = get_user_materialsfile()
savefile = matfile + '_Save'
had_matfile = False
if os.path.exists(matfile):
had_matfile = True
shutil.move(matfile, savefile)
assert get_material('caffeine') is None
add_material('caffeine', 'C8H10N4O2', density=1.23)
assert get_material('caffeine') is not None
time.sleep(2.0)
add_material('rutile', 'TiO2', density=4.23)
with open(matfile, 'r') as fh:
text = fh.read()
assert 'caffeine' in text
assert 'rutile' in text
if had_matfile:
shutil.move(savefile, matfile)
def test_material_get():
mat_ = {'kapton': ('C22H10N2O5', 1.43),
'lead': ('Pb', 11.34),
'aluminum': ('Al', 2.72),
'water': ('H2O', 1.0)}
for mname in mat_.keys():
formula, density = get_material(mname)
f1 = chemparse(formula)
f2 = chemparse(mat_[mname][0])
for k, v in f2.items():
assert v == f1[k]
assert_allclose(density, mat_[mname][1], rtol=0.1)
def test_material_get():
mat_ = {
'kapton': ('C22H10N2O5', 1.43),
'lead': ('Pb', 11.34),
'aluminum': ('Al', 2.72),
'water': ('H2O', 1.0)
}
for mname in mat_.keys():
formula, density = get_material(mname)
f1 = chemparse(formula)
f2 = chemparse(mat_[mname][0])
for k, v in f2.items():
assert v == f1[k]
assert_allclose(density, mat_[mname][1], rtol=0.1)
for formula, density in mat_.values():
_f, _d = get_material(formula)
assert _f == formula
assert_allclose(density, _d, rtol=0.1)
for formula in ('WSO3', 'CdAs140CO3', 'KAs'):
out = get_material(formula)
assert out == None
def test_material_mu2():
en = np.linspace(5000, 10000, 21)
known_mu = np.array([
0.04934, 0.04267, 0.03715, 0.03254, 0.02866, 0.02538, 0.02257, 0.02016,
0.01809, 0.01629, 0.01472, 0.01334, 0.01214, 0.01108, 0.01014, 0.00930,
0.00856, 0.00789, 0.00729, 0.00675, 0.00626
])
mu = material_mu('air', en)
assert_allclose(mu, known_mu, rtol=0.05)
air_formula, air_density = get_material('air')
air_comps = chemparse(air_formula)
assert air_comps['Ar'] < 0.013
assert air_comps['Ar'] > 0.007
mu = material_mu('air', en, density=2.0 * air_density)
assert_allclose(mu, 2.0 * known_mu, rtol=0.05)
