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_chemparse():
examples = {
'H2O': {
'H': 2,
'O': 1
},
'Mn(SO4)2(H2O)7': {
'H': 14.0,
'S': 2.0,
'Mn': 1,
'O': 15.0
},
'Mg(SO4)2': {
'Mg': 1,
'S': 2,
'O': 8
},
'Mg0.5Fe0.5': {
'Mg': 0.5,
'Fe': 0.5
},
'CO': {
'C': 1,
'O': 1
}
}
for formula, cert in examples.items():
ret = chemparse(formula)
for elem, quant in cert.items():
v = ret.pop(elem)
assert_allclose(v, quant, rtol=1.e3)
assert len(ret) == 0
def test_material_find():
mat_ = {
'kapton': ('C22H10N2O5', 1.43, 'polymer'),
'lead': ('Pb', 11.34, 'metal'),
'aluminum': ('Al', 2.72, 'metal'),
'water': ('H2O', 1.0, 'solvent')
}
for mname, mdat in mat_.items():
mat = find_material(mname)
f1 = chemparse(mat.formula)
f2 = chemparse(mdat[0])
for k, v in f2.items():
assert v == f1[k]
assert_allclose(mat.density, mdat[1], rtol=0.1)
assert (mdat[2] in mat.categories)
for formula in ('WSO3', 'CdAs140CO3', 'KAs'):
out = find_material(formula)
assert out == None
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)