def setUp(self):
self.ilm = Material("ilmenite",
get_path(__file__,
'data/thermomaterial.test.ilmenite.txt'))
self.ilm_pkg_a = self.ilm.create_package("IlmeniteA", 1234.5, 0.8,
100.0, True)
self.ilm_pkg_b = self.ilm.create_package("IlmeniteB", 2345.6, 0.9,
200.0, True)
self.ilm_pkg_c = self.ilm.create_package("IlmeniteC", 3456.7, 1.0,
300.0, True)
self.red = Material("reductant",
get_path(__file__,
'data/thermomaterial.test.reductant.txt'))
self.red_pkg_a = self.red.create_package("ReductantA", 123.45, 0.75,
400.0, True)
self.mix = Material("mix",
get_path(__file__,
'data/thermomaterial.test.mix.txt'))
def setUp(self):
self.ilm = Material("ilmenite",
get_path(__file__,
'data/thermomaterial.test.ilmenite.txt'))
self.ilm_pkg_a = self.ilm.create_package("IlmeniteA", 1234.5, 0.8,
100.0, True)
self.ilm_pkg_b = self.ilm.create_package("IlmeniteB", 2345.6, 0.9,
200.0, True)
self.ilm_pkg_c = self.ilm.create_package("IlmeniteC", 3456.7, 1.0,
300.0, True)
self.red = Material("reductant",
get_path(__file__,
'data/thermomaterial.test.reductant.txt'))
self.red_pkg_a = self.red.create_package("ReductantA", 123.45, 0.75,
400.0, True)
self.mix = Material("mix",
get_path(__file__,
'data/thermomaterial.test.mix.txt'))
class ThermoMaterialPackageUnitTester(unittest.TestCase):
"""
Unit tester for the auxi.modelling.process.materials.thermo.MaterialPackage
class.
"""
def setUp(self):
self.ilm = Material("ilmenite",
get_path(__file__,
'data/thermomaterial.test.ilmenite.txt'))
self.ilm_pkg_a = self.ilm.create_package("IlmeniteA", 1234.5, 0.8,
100.0, True)
self.ilm_pkg_b = self.ilm.create_package("IlmeniteB", 2345.6, 0.9,
200.0, True)
self.ilm_pkg_c = self.ilm.create_package("IlmeniteC", 3456.7, 1.0,
300.0, True)
self.red = Material("reductant",
get_path(__file__,
'data/thermomaterial.test.reductant.txt'))
self.red_pkg_a = self.red.create_package("ReductantA", 123.45, 0.75,
400.0, True)
self.mix = Material("mix",
get_path(__file__,
'data/thermomaterial.test.mix.txt'))
def test_constructor(self):
compound_masses = self.ilm.converted_assays["IlmeniteB"] * 123.4 / \
self.ilm.converted_assays["IlmeniteB"].sum()
package = MaterialPackage(self.ilm, compound_masses, 0.8, 300.0)
self.assertAlmostEqual(package.mass, 123.4)
self.assertEqual(package.P, 0.8)
self.assertEqual(package.T, 300.0)
self.assertAlmostEqual(package.H, -236.60618829889296)
def test___str__(self):
print(self.ilm_pkg_a.__str__())
def test_add_operator_1(self):
"""
Test whether the add operator calculates the resulting package
correctly. Results were checked against FactSage results. They are not
exactly the same, since the magnetic and other non-cp contributions are
omitted by the thermo module.
"""
pkg_ab = self.ilm_pkg_a + self.ilm_pkg_b
pkg_ac = self.ilm_pkg_a + self.ilm_pkg_c
pkg_bc = self.ilm_pkg_b + self.ilm_pkg_c
pkg_abc = self.ilm_pkg_a + self.ilm_pkg_b + self.ilm_pkg_c
self.assertAlmostEqual(self.ilm_pkg_a.mass, 1234.5)
self.assertAlmostEqual(self.ilm_pkg_a.P, 0.8)
self.assertAlmostEqual(self.ilm_pkg_a.T, 100.0)
self.assertAlmostEqual(self.ilm_pkg_a.H, -2811.6976363963095)
self.assertAlmostEqual(self.ilm_pkg_b.mass, 2345.6)
self.assertAlmostEqual(self.ilm_pkg_b.P, 0.9)
self.assertAlmostEqual(self.ilm_pkg_b.T, 200.0)
self.assertAlmostEqual(self.ilm_pkg_b.H, -4550.3197620429773)
self.assertAlmostEqual(self.ilm_pkg_c.mass, 3456.7)
self.assertAlmostEqual(self.ilm_pkg_c.P, 1.0)
self.assertAlmostEqual(self.ilm_pkg_c.T, 300.0)
self.assertAlmostEqual(self.ilm_pkg_c.H, -8023.545629913353)
self.assertAlmostEqual(pkg_ab.mass, 3580.1)
self.assertAlmostEqual(pkg_ab.P, 0.8)
self.assertAlmostEqual(pkg_ab.T, 165.93941355722774)
self.assertAlmostEqual(pkg_ab.H, self.ilm_pkg_a.H + self.ilm_pkg_b.H)
self.assertAlmostEqual(pkg_ac.mass, 4691.2)
self.assertAlmostEqual(pkg_ac.P, 0.8)
self.assertAlmostEqual(pkg_ac.T, 249.48206641333098)
self.assertAlmostEqual(pkg_ac.H, self.ilm_pkg_a.H + self.ilm_pkg_c.H)
self.assertAlmostEqual(pkg_bc.mass, 5802.3)
self.assertAlmostEqual(pkg_bc.P, 0.9)
self.assertAlmostEqual(pkg_bc.T, 260.56905390294497)
self.assertAlmostEqual(pkg_bc.H, self.ilm_pkg_b.H + self.ilm_pkg_c.H)
self.assertAlmostEqual(pkg_abc.mass, 7036.8)
self.assertAlmostEqual(pkg_abc.P, 0.8)
self.assertAlmostEqual(pkg_abc.T, 233.3038145723261)
self.assertAlmostEqual(pkg_abc.H, self.ilm_pkg_a.H +
self.ilm_pkg_b.H + self.ilm_pkg_c.H)
def test_add_operator_2(self):
mixPackage = self.mix.create_package(None, 0.0)
mixPackage = mixPackage + self.ilm_pkg_a
mixPackage = mixPackage + self.red_pkg_a
self.assertEqual(mixPackage.mass,
self.ilm_pkg_a.mass + self.red_pkg_a.mass)
self.assertEqual(mixPackage.P, 1.0)
self.assertAlmostEqual(mixPackage.T, 146.64409455076031)
self.assertEqual(mixPackage.H, self.ilm_pkg_a.H + self.red_pkg_a.H)
self.assertRaises(Exception, self.add_incompatible_packages)
def add_incompatible_packages(self):
result = self.ilm_pkg_a + self.red_pkg_a
result = result * 1.0
def test_add_operator_3(self):
"""
other = tuple (compound, mass)
Test whether the add operator calculates the resulting package
correctly. Results were checked against FactSage results. They are not
exactly the same, since the magnetic and other non-cp contributions are
omitted by the thermo module.
"""
pkg = self.ilm_pkg_a + ("Al2O3[S1]", 123.4)
self.assertEqual(pkg.mass, 1357.9)
self.assertEqual(pkg.P, 0.8)
self.assertEqual(pkg.T, 100.0)
self.assertEqual(pkg.H, self.ilm_pkg_a.H + thermo.H("Al2O3[S1]", 100.0,
123.4))
def test_add_operator_4(self):
"""
other = tuple (compound, mass, temperature)
Test whether the add operator calculates the resulting package
correctly. Results were checked against FactSage results. They are not
exactly the same, since the magnetic and other non-cp contributions are
omitted by the thermo module.
"""
pkg = self.ilm_pkg_a + ("Al2O3[S1]", 123.4, 500.0)
self.assertEqual(pkg.mass, 1357.9)
self.assertEqual(pkg.P, 0.8)
self.assertEqual(pkg.T, 151.60776535105211)
self.assertEqual(pkg.H, self.ilm_pkg_a.H + thermo.H("Al2O3[S1]", 500.0,
123.4))
def test_extract_1(self):
pkg = self.ilm_pkg_a.clone()
mass = 432.1
diffPackage = pkg.extract(mass)
self.assertEqual(pkg.mass, self.ilm_pkg_a.mass - mass)
self.assertEqual(pkg.P, 0.8)
self.assertEqual(pkg.T, 100.0)
self.assertAlmostEqual(diffPackage.mass, mass)
self.assertEqual(diffPackage.P, 0.8)
self.assertEqual(diffPackage.T, 100.0)
self.assertEqual(pkg.H + diffPackage.H, self.ilm_pkg_a.H)
def test_extract_2(self):
pkg = self.ilm_pkg_a.clone()
compound = "TiO2[S1]"
mass = 123.4
diffPackage = pkg.extract((compound, mass))
self.assertEqual(pkg.mass,
self.ilm_pkg_a.mass - mass + 2.0E-13)
self.assertEqual(pkg.get_compound_mass(compound),
self.ilm_pkg_a.get_compound_mass(compound) - mass)
self.assertEqual(pkg.P, 0.8)
self.assertEqual(pkg.T, 100.0)
self.assertEqual(diffPackage.mass, mass)
self.assertEqual(diffPackage.get_compound_mass(compound), mass)
self.assertEqual(diffPackage.P, 0.8)
self.assertEqual(diffPackage.T, 100.0)
self.assertEqual(pkg.H + diffPackage.H, self.ilm_pkg_a.H)
def test_extract_3(self):
pkg = self.ilm_pkg_a.clone()
compound = "TiO2[S1]"
mass = pkg.get_compound_mass(compound)
diffPackage = pkg.extract(compound)
self.assertAlmostEqual(pkg.mass, self.ilm_pkg_a.mass - mass)
self.assertEqual(pkg.get_compound_mass(compound), self.ilm_pkg_a.get_compound_mass(compound) - mass)
self.assertEqual(pkg.P, 0.8)
self.assertEqual(pkg.T, 100.0)
self.assertEqual(diffPackage.mass, mass)
self.assertEqual(diffPackage.get_compound_mass(compound), mass)
self.assertEqual(diffPackage.P, 0.8)
self.assertEqual(diffPackage.T, 100.0)
self.assertEqual(pkg.H + diffPackage.H, self.ilm_pkg_a.H)
def test_multiply_operator(self):
pkg = self.ilm_pkg_a.clone()
mul1Package = pkg * 0.0
self.assertEqual(mul1Package.mass, 0.0)
self.assertTrue(np.all(mul1Package._compound_masses == pkg._compound_masses * 0.0))
self.assertEqual(mul1Package.P, pkg.P)
self.assertEqual(mul1Package.T, pkg.T)
self.assertEqual(mul1Package.H, 0.0)
mul2Package = pkg * 1.0
self.assertEqual(mul2Package.mass, pkg.mass)
self.assertTrue(np.all(mul2Package._compound_masses == pkg._compound_masses))
self.assertEqual(mul2Package.P, pkg.P)
self.assertEqual(mul2Package.T, pkg.T)
self.assertEqual(mul2Package.H, pkg.H)
mul2Package = pkg * 123.4
self.assertEqual(mul2Package.mass, pkg.mass * 123.4 + 3.0E-11)
self.assertTrue(np.all(mul2Package._compound_masses == pkg._compound_masses * 123.4))
self.assertEqual(mul2Package.P, pkg.P)
self.assertEqual(mul2Package.T, pkg.T)
self.assertEqual(mul2Package.H, pkg.H * 123.4 - 6.0E-11)
def test_clone(self):
clone = self.ilm_pkg_a.clone()
self.assertEqual(clone.mass, self.ilm_pkg_a.mass)
self.assertTrue(np.all(clone._compound_masses == self.ilm_pkg_a._compound_masses))
self.assertEqual(clone.P, self.ilm_pkg_a.P)
self.assertEqual(clone.T, self.ilm_pkg_a.T)
self.assertEqual(clone.H, self.ilm_pkg_a.H)
def test_mass(self):
self.assertEqual(self.ilm_pkg_a.mass, 1234.5)
self.assertEqual(self.ilm_pkg_b.mass, 2345.6)
self.assertEqual(self.ilm_pkg_c.mass, 3456.7)
def test_get_assay(self):
self.assertTrue(np.all(self.ilm_pkg_a.get_assay() - self.ilm.converted_assays["IlmeniteA"] / self.ilm.converted_assays["IlmeniteA"].sum() < 1.0E-16))
self.assertTrue(np.all(self.ilm_pkg_a.get_assay() - self.ilm.converted_assays["IlmeniteA"] / self.ilm.converted_assays["IlmeniteA"].sum() > -1.0E-16))
def test_get_compound_mass(self):
assay = "IlmeniteA"
compound = "TiO2[S1]"
for compound in self.ilm.compounds:
mass = 1234.5 * self.ilm.converted_assays[assay][self.ilm.get_compound_index(compound)] / self.ilm.get_assay_total(assay)
self.assertEqual(self.ilm_pkg_a.get_compound_mass(compound), mass)
def test_set_H(self):
tempPackageA = self.ilm_pkg_a.clone()
H = tempPackageA.H + 5.67
tempPackageA.H = H
self.assertEqual(tempPackageA.H, H)
self.assertEqual(tempPackageA.T, 121.65612974840057)
def test_get_H(self):
self.assertEqual(self.ilm_pkg_a.H, self.ilm_pkg_a._H)
def test_set_T(self):
tempPackageA = self.ilm_pkg_a.clone()
T = tempPackageA.T + 123.4
tempPackageA.T = T
self.assertEqual(tempPackageA.T, T)
self.assertEqual(tempPackageA.H, -2778.3170030281622)
def test_get_T(self):
self.assertEqual(self.ilm_pkg_a.T, self.ilm_pkg_a._T)
def test_get_P(self):
self.assertEqual(self.ilm_pkg_a.P, self.ilm_pkg_a._P)
def test_get_element_masses(self):
x = self.ilm_pkg_a.get_element_masses()
y = self.ilm_pkg_a.get_element_mass("Ti")
def setUp(self):
thermo.default_data_path = 'data/nist'
test_data_file_path = get_path(
__file__, 'data/thermomaterial.test.ilmenite.txt')
self.m = Material("material", test_data_file_path)
class ThermoMaterialUnitTester(unittest.TestCase):
"""
Unit tester for the auxi.modelling.process.materials.thermo.Material class.
"""
def setUp(self):
thermo.default_data_path = 'data/nist'
test_data_file_path = get_path(
__file__, 'data/thermomaterial.test.ilmenite.txt')
self.m = Material("material", test_data_file_path)
def test_constructor(self):
self.assertEqual(self.m.name, "material")
self.assertEqual(len(self.m.compounds), 14)
self.assertEqual(self.m.compound_count, 14)
self.assertEqual(len(self.m.converted_assays), 3)
def test_get_compound_index(self):
self.assertEqual(self.m.get_compound_index("Al2O3[S]"), 0)
self.assertEqual(self.m.get_compound_index("K2O[S]"), 6)
self.assertEqual(self.m.get_compound_index("P4O10[S]"), 10)
self.assertEqual(self.m.get_compound_index("V2O5[S]"), 13)
def test_create_empty_assay(self):
empty_assay = self.m.create_empty_assay()
self.assertEqual(len(empty_assay), 14)
self.assertEqual(empty_assay.sum(), 0.0)
self.assertEqual(empty_assay.sum(), 0.0)
self.assertEqual(empty_assay.sum(), 0.0)
def test_add_assay(self):
new_assay = self.m.create_empty_assay()
new_assay[0] = 0.5
new_assay[2] = 0.5
self.m.add_assay("new_assay", new_assay)
self.assertEqual(
np.all(self.m.converted_assays["new_assay"] == new_assay), True)
def test_get_assay_total(self):
self.assertAlmostEqual(self.m.get_assay_total("IlmeniteA"), 0.99792)
self.assertAlmostEqual(self.m.get_assay_total("IlmeniteB"), 0.99761)
self.assertAlmostEqual(self.m.get_assay_total("IlmeniteC"), 1.00002)
def test_create_package(self):
pkg = self.m.create_package("IlmeniteA", 123.456, 0.87, 205.0, True)
self.assertEqual(pkg.mass, 123.456)
self.assertEqual(pkg.P, 0.87)
self.assertEqual(pkg.T, 205.0)
self.assertEqual(pkg.H, -278.35680682442677)
class ThermoMaterialPackageUnitTester(unittest.TestCase):
"""
Unit tester for the auxi.modelling.process.materials.thermo.MaterialPackage
class.
"""
def setUp(self):
self.ilm = Material("ilmenite",
get_path(__file__,
'data/thermomaterial.test.ilmenite.txt'))
self.ilm_pkg_a = self.ilm.create_package("IlmeniteA", 1234.5, 0.8,
100.0, True)
self.ilm_pkg_b = self.ilm.create_package("IlmeniteB", 2345.6, 0.9,
200.0, True)
self.ilm_pkg_c = self.ilm.create_package("IlmeniteC", 3456.7, 1.0,
300.0, True)
self.red = Material("reductant",
get_path(__file__,
'data/thermomaterial.test.reductant.txt'))
self.red_pkg_a = self.red.create_package("ReductantA", 123.45, 0.75,
400.0, True)
self.mix = Material("mix",
get_path(__file__,
'data/thermomaterial.test.mix.txt'))
def test_constructor(self):
compound_masses = self.ilm.converted_assays["IlmeniteB"] * 123.4 / \
self.ilm.converted_assays["IlmeniteB"].sum()
package = MaterialPackage(self.ilm, compound_masses, 0.8, 300.0)
self.assertAlmostEqual(package.mass, 123.4)
self.assertEqual(package.P, 0.8)
self.assertEqual(package.T, 300.0)
self.assertAlmostEqual(package.H, -236.1454835858373)
def test___str__(self):
print(self.ilm_pkg_a.__str__())
def test_add_operator_1(self):
"""
Test whether the add operator calculates the resulting package
correctly. Results were checked against FactSage results. They are not
exactly the same, since the magnetic and other non-cp contributions are
omitted by the thermo module.
"""
pkg_ab = self.ilm_pkg_a + self.ilm_pkg_b
pkg_ac = self.ilm_pkg_a + self.ilm_pkg_c
pkg_bc = self.ilm_pkg_b + self.ilm_pkg_c
pkg_abc = self.ilm_pkg_a + self.ilm_pkg_b + self.ilm_pkg_c
self.assertAlmostEqual(self.ilm_pkg_a.mass, 1234.5)
self.assertAlmostEqual(self.ilm_pkg_a.P, 0.8)
self.assertAlmostEqual(self.ilm_pkg_a.T, 100.0)
self.assertAlmostEqual(self.ilm_pkg_a.H, -2806.7429784400047)
self.assertAlmostEqual(self.ilm_pkg_b.mass, 2345.6)
self.assertAlmostEqual(self.ilm_pkg_b.P, 0.9)
self.assertAlmostEqual(self.ilm_pkg_b.T, 200.0)
self.assertAlmostEqual(self.ilm_pkg_b.H, -4543.1785301714681)
self.assertAlmostEqual(self.ilm_pkg_c.mass, 3456.7)
self.assertAlmostEqual(self.ilm_pkg_c.P, 1.0)
self.assertAlmostEqual(self.ilm_pkg_c.T, 300.0)
self.assertAlmostEqual(self.ilm_pkg_c.H, -8048.4350702355823)
self.assertAlmostEqual(pkg_ab.mass, 3580.1)
self.assertAlmostEqual(pkg_ab.P, 0.8)
self.assertAlmostEqual(pkg_ab.T, 166.0732264434603)
self.assertAlmostEqual(pkg_ab.H, self.ilm_pkg_a.H + self.ilm_pkg_b.H)
self.assertAlmostEqual(pkg_ac.mass, 4691.2)
self.assertAlmostEqual(pkg_ac.P, 0.8)
self.assertAlmostEqual(pkg_ac.T, 250.33098811454732)
self.assertAlmostEqual(pkg_ac.H, self.ilm_pkg_a.H + self.ilm_pkg_c.H)
self.assertAlmostEqual(pkg_bc.mass, 5802.3)
self.assertAlmostEqual(pkg_bc.P, 0.9)
self.assertAlmostEqual(pkg_bc.T, 260.8378746233343)
self.assertAlmostEqual(pkg_bc.H, self.ilm_pkg_b.H + self.ilm_pkg_c.H)
self.assertAlmostEqual(pkg_abc.mass, 7036.8)
self.assertAlmostEqual(pkg_abc.P, 0.8)
self.assertAlmostEqual(pkg_abc.T, 233.92053677303426)
self.assertAlmostEqual(pkg_abc.H, self.ilm_pkg_a.H +
self.ilm_pkg_b.H + self.ilm_pkg_c.H)
def test_add_operator_2(self):
mixPackage = self.mix.create_package(None, 0.0)
mixPackage = mixPackage + self.ilm_pkg_a
mixPackage = mixPackage + self.red_pkg_a
self.assertEqual(mixPackage.mass,
self.ilm_pkg_a.mass + self.red_pkg_a.mass)
self.assertEqual(mixPackage.P, 1.0)
self.assertAlmostEqual(mixPackage.T, 147.8339440141861)
self.assertEqual(mixPackage.H, self.ilm_pkg_a.H + self.red_pkg_a.H)
self.assertRaises(Exception, self.add_incompatible_packages)
def add_incompatible_packages(self):
result = self.ilm_pkg_a + self.red_pkg_a
result = result * 1.0
def test_add_operator_3(self):
"""
other = tuple (compound, mass)
Test whether the add operator calculates the resulting package
correctly. Results were checked against FactSage results. They are not
exactly the same, since the magnetic and other non-cp contributions are
omitted by the thermo module.
"""
pkg = self.ilm_pkg_a + ("Al2O3[S]", 123.4)
self.assertEqual(pkg.mass, 1357.9)
self.assertEqual(pkg.P, 0.8)
self.assertEqual(pkg.T, 100.0)
self.assertEqual(pkg.H, self.ilm_pkg_a.H + thermo.H("Al2O3[S]", 100.0,
123.4))
def test_add_operator_4(self):
"""
other = tuple (compound, mass, temperature)
Test whether the add operator calculates the resulting package
correctly. Results were checked against FactSage results. They are not
exactly the same, since the magnetic and other non-cp contributions are
omitted by the thermo module.
"""
pkg = self.ilm_pkg_a + ("Al2O3[S]", 123.4, 500.0)
self.assertEqual(pkg.mass, 1357.9)
self.assertEqual(pkg.P, 0.8)
self.assertEqual(pkg.T, 147.99821390140727)
self.assertEqual(pkg.H, self.ilm_pkg_a.H + thermo.H("Al2O3[S]", 500.0,
123.4))
def test_extract_1(self):
pkg = self.ilm_pkg_a.clone()
mass = 432.1
diffPackage = pkg.extract(mass)
self.assertAlmostEqual(pkg.mass, self.ilm_pkg_a.mass - mass)
self.assertEqual(pkg.P, 0.8)
self.assertEqual(pkg.T, 100.0)
self.assertAlmostEqual(diffPackage.mass, mass)
self.assertEqual(diffPackage.P, 0.8)
self.assertEqual(diffPackage.T, 100.0)
self.assertEqual(pkg.H + diffPackage.H, self.ilm_pkg_a.H)
def test_extract_2(self):
pkg = self.ilm_pkg_a.clone()
compound = "TiO2[Srutile]"
mass = 123.4
diffPackage = pkg.extract((compound, mass))
self.assertEqual(pkg.mass,
self.ilm_pkg_a.mass - mass + 2.0E-13)
self.assertEqual(pkg.get_compound_mass(compound),
self.ilm_pkg_a.get_compound_mass(compound) - mass)
self.assertEqual(pkg.P, 0.8)
self.assertEqual(pkg.T, 100.0)
self.assertEqual(diffPackage.mass, mass)
self.assertEqual(diffPackage.get_compound_mass(compound), mass)
self.assertEqual(diffPackage.P, 0.8)
self.assertEqual(diffPackage.T, 100.0)
self.assertEqual(pkg.H + diffPackage.H, self.ilm_pkg_a.H)
def test_extract_3(self):
pkg = self.ilm_pkg_a.clone()
compound = "TiO2[Srutile]"
mass = pkg.get_compound_mass(compound)
diffPackage = pkg.extract(compound)
self.assertAlmostEqual(pkg.mass, self.ilm_pkg_a.mass - mass)
self.assertEqual(pkg.get_compound_mass(compound), self.ilm_pkg_a.get_compound_mass(compound) - mass)
self.assertEqual(pkg.P, 0.8)
self.assertEqual(pkg.T, 100.0)
self.assertEqual(diffPackage.mass, mass)
self.assertEqual(diffPackage.get_compound_mass(compound), mass)
self.assertEqual(diffPackage.P, 0.8)
self.assertEqual(diffPackage.T, 100.0)
self.assertEqual(pkg.H + diffPackage.H, self.ilm_pkg_a.H)
def test_multiply_operator(self):
pkg = self.ilm_pkg_a.clone()
mul1Package = pkg * 0.0
self.assertEqual(mul1Package.mass, 0.0)
self.assertTrue(np.all(mul1Package._compound_masses == pkg._compound_masses * 0.0))
self.assertEqual(mul1Package.P, pkg.P)
self.assertEqual(mul1Package.T, pkg.T)
self.assertEqual(mul1Package.H, 0.0)
mul2Package = pkg * 1.0
self.assertEqual(mul2Package.mass, pkg.mass)
self.assertTrue(np.all(mul2Package._compound_masses == pkg._compound_masses))
self.assertEqual(mul2Package.P, pkg.P)
self.assertEqual(mul2Package.T, pkg.T)
self.assertEqual(mul2Package.H, pkg.H)
mul2Package = pkg * 123.4
self.assertAlmostEqual(mul2Package.mass, pkg.mass * 123.4)
self.assertTrue(np.all(mul2Package._compound_masses == pkg._compound_masses * 123.4))
self.assertEqual(mul2Package.P, pkg.P)
self.assertEqual(mul2Package.T, pkg.T)
self.assertAlmostEqual(mul2Package.H, pkg.H * 123.4 - 6.0E-11)
def test_clone(self):
clone = self.ilm_pkg_a.clone()
self.assertEqual(clone.mass, self.ilm_pkg_a.mass)
self.assertTrue(np.all(clone._compound_masses == self.ilm_pkg_a._compound_masses))
self.assertEqual(clone.P, self.ilm_pkg_a.P)
self.assertEqual(clone.T, self.ilm_pkg_a.T)
self.assertEqual(clone.H, self.ilm_pkg_a.H)
def test_mass(self):
self.assertAlmostEqual(self.ilm_pkg_a.mass, 1234.5)
self.assertAlmostEqual(self.ilm_pkg_b.mass, 2345.6)
self.assertAlmostEqual(self.ilm_pkg_c.mass, 3456.7)
def test_get_assay(self):
self.assertTrue(np.all(self.ilm_pkg_a.get_assay() - self.ilm.converted_assays["IlmeniteA"] / self.ilm.converted_assays["IlmeniteA"].sum() < 1.0E-16))
self.assertTrue(np.all(self.ilm_pkg_a.get_assay() - self.ilm.converted_assays["IlmeniteA"] / self.ilm.converted_assays["IlmeniteA"].sum() > -1.0E-16))
def test_get_compound_mass(self):
assay = "IlmeniteA"
compound = "TiO2[S1]"
for compound in self.ilm.compounds:
mass = 1234.5 * self.ilm.converted_assays[assay][self.ilm.get_compound_index(compound)] / self.ilm.get_assay_total(assay)
self.assertEqual(self.ilm_pkg_a.get_compound_mass(compound), mass)
def test_set_H(self):
tempPackageA = self.ilm_pkg_a.clone()
H = tempPackageA.H + 5.67
tempPackageA.H = H
self.assertEqual(tempPackageA.H, H)
self.assertAlmostEqual(tempPackageA.T, 121.42451286247233)
def test_get_H(self):
self.assertEqual(self.ilm_pkg_a.H, self.ilm_pkg_a._H)
def test_set_T(self):
tempPackageA = self.ilm_pkg_a.clone()
T = tempPackageA.T + 123.4
tempPackageA.T = T
self.assertEqual(tempPackageA.T, T)
self.assertAlmostEqual(tempPackageA.H, -2772.9275189452887)
def test_get_T(self):
self.assertEqual(self.ilm_pkg_a.T, self.ilm_pkg_a._T)
def test_get_P(self):
self.assertEqual(self.ilm_pkg_a.P, self.ilm_pkg_a._P)
def test_get_element_masses(self):
x = self.ilm_pkg_a.get_element_masses()
y = self.ilm_pkg_a.get_element_mass("Ti")
def setUp(self):
thermo.default_data_path = 'data/nist'
test_data_file_path = get_path(
__file__, 'data/thermomaterial.test.ilmenite.txt')
self.m = Material("material", test_data_file_path)
class ThermoMaterialUnitTester(unittest.TestCase):
"""
Unit tester for the auxi.modelling.process.materials.thermo.Material class.
"""
def setUp(self):
thermo.default_data_path = 'data/nist'
test_data_file_path = get_path(
__file__, 'data/thermomaterial.test.ilmenite.txt')
self.m = Material("material", test_data_file_path)
def test_constructor(self):
self.assertEqual(self.m.name, "material")
self.assertEqual(len(self.m.compounds), 8)
self.assertEqual(self.m.compound_count, 8)
self.assertEqual(len(self.m.converted_assays), 3)
def test_get_compound_index(self):
self.assertEqual(self.m.get_compound_index("Al2O3[S]"), 0)
self.assertEqual(self.m.get_compound_index("Fe3O4[Salpha]"), 3)
self.assertEqual(self.m.get_compound_index("TiO2[Srutile]"), 7)
def test_create_empty_assay(self):
empty_assay = self.m.create_empty_assay()
self.assertEqual(len(empty_assay), 8)
self.assertEqual(empty_assay.sum(), 0.0)
self.assertEqual(empty_assay.sum(), 0.0)
self.assertEqual(empty_assay.sum(), 0.0)
def test_add_assay(self):
new_assay = self.m.create_empty_assay()
new_assay[0] = 0.5
new_assay[2] = 0.5
self.m.add_assay("new_assay", new_assay)
self.assertEqual(
np.all(self.m.converted_assays["new_assay"] == new_assay), True)
def test_get_assay_total(self):
self.assertAlmostEqual(self.m.get_assay_total("IlmeniteA"), 1.0)
self.assertAlmostEqual(self.m.get_assay_total("IlmeniteB"), 1.0)
self.assertAlmostEqual(self.m.get_assay_total("IlmeniteC"), 1.0)
def test_str(self):
# TODO: This is probably a bit lax for a proper test
result = str(self.m)
checkphrases = ['Material', 'IlmeniteA', 'IlmeniteB', 'IlmeniteC',
'Al2O3[S]', 'CaO[S]', 'Fe2O3[Salpha]', 'Fe3O4[Salpha]',
'FeO[S]', 'MgO[S]',
'SiO2[S]', 'TiO2[Srutile]']
for phrase in checkphrases:
self.assertIn(phrase, result)
def test_create_package(self):
pkg = self.m.create_package("IlmeniteA", 123.456, 0.87, 205.0, True)
self.assertAlmostEqual(pkg.mass, 123.456)
self.assertAlmostEqual(pkg.P, 0.87)
self.assertAlmostEqual(pkg.T, 205.0)
self.assertAlmostEqual(pkg.H, -277.82600298002848)
def test_create_stream(self):
pkg = self.m.create_stream("IlmeniteA", 123.456, 0.87, 205.0, True)
self.assertAlmostEqual(pkg.mfr, 123.456)
self.assertAlmostEqual(pkg.P, 0.87)
self.assertAlmostEqual(pkg.T, 205.0)
self.assertAlmostEqual(pkg.Hfr, -277.82600298002848)
