def setUp(self): self.majors = pd.Series({ 'H2O': 47.00, 'CO2': 35.00, 'S': 16.00, }) self.majors_molpercent = pd.Series({ 'H2O': 66.841024, 'CO2': 20.374933, 'S': 12.784044, }) self.majors_molfrac = pd.Series({ 'H2O': 0.668410, 'CO2': 0.203749, 'S': 0.127840, }) self.sample = tv.MagmaticFluid(self.majors) self.sample_unitsMolPercent = tv.MagmaticFluid(self.majors_molpercent, units='molpercent') self.sample_unitsMolFrac = tv.MagmaticFluid(self.majors_molfrac, units='molfrac') # parameters for the calculation self.pressure = 1000.0 self.temperature = 1000.0 self.fO2_buffer = 'QFM' self.fO2_delta = 1 # fugacities calculated with TAVERN rounded to 4 dp self.fugacities_known = { 'CO': 1.8015, 'CO2': 237.1919, 'H2': 2.2297, 'H2O': 432.4545, 'H2S': 209.3452, 'O2': 1.2863e-10, 'S2': 46.8002, 'SO2': 86.7186 }
def setUp(self): self.majors = pd.Series({ 'H2O': 47.00, 'CO2': 35.00, 'S': 16.00, }) self.majors_molpercent = pd.Series({ 'H2O': 66.841024, 'CO2': 20.374933, 'S': 12.784044, }) self.majors_molfrac = pd.Series({ 'H2O': 0.668410, 'CO2': 0.203749, 'S': 0.127840, }) self.sample = tv.MagmaticFluid(self.majors) self.sample_unitsMolPercent = tv.MagmaticFluid(self.majors_molpercent, units='molpercent') self.sample_unitsMolFrac = tv.MagmaticFluid(self.majors_molfrac, units='molfrac') # parameters for the calculation self.pressure = 1000.0 self.temperature = 1000.0 self.fO2_buffer = 'QFM' self.fO2_delta = 1 # speciation calculated with TAVERN to 4 dp self.speciation_known = { 'CO': 0.0915, 'CO2': 28.2862, 'H2': 0.0121, 'H2O': 27.5583, 'H2S': 20.1962, 'S2': 8.2839, 'SO2': 15.5718, 'O2': 1.0886e-11 }
def setUp(self): self.majors = pd.Series({ 'H2O': 47.00, 'CO2': 35.00, 'S': 16.00, }) # Standard normalization calculated externally self.majors_normed = pd.Series({ 'H2O': 47.959, 'CO2': 35.714, 'S': 16.327, }) # Mol fractions calculated externally self.majors_molfrac = pd.Series({ 'H2O': 0.66841, 'CO2': 0.20375, 'S': 0.12784, }) self.majors_molpercent = self.majors_molfrac * 100 # self.majors_all_species = pd.Series({'SiO2': 47.95, # 'TiO2': 1.67, # 'Al2O3': 17.32, # 'FeO': 10.24, # 'Fe2O3': 0.1, # 'MgO': 5.76, # 'CaO': 10.93, # 'Na2O': 3.45, # 'K2O': 1.99, # 'P2O5': 0.51, # 'MnO': 0.1, # 'Cr2O3': 0.05, # 'NiO': 0.04, # 'CoO': 0.02, # 'H2O': 2.00, # 'CO2': 0.12, # 'F2O': 0.05 # }) self.sample = tv.MagmaticFluid(self.majors, units='wtpercent')
def test_type_molpercent(self): sample = tv.MagmaticFluid(self.majors_molpercent, units='molpercent') for ox in self.majors.index: self.assertEqual(np.round(sample._composition[ox], 2), np.round(self.majors_normed[ox], 2))
def test_type_wtptoxides(self): sample = tv.MagmaticFluid(self.majors, units='wtpercent') for ox in self.majors.index: self.assertEqual(self.sample._composition[ox], self.majors[ox])
def test_type_garbage(self): with self.assertRaises(tv.core.InputError): tv.MagmaticFluid(composition=self.majors, units='garbage')
def test_setdefaults_garbageType(self): with self.assertRaises(tv.core.InputError): tv.MagmaticFluid(composition=self.majors, default_units='garbage')
def test_setdefaults_garbageNorm(self): with self.assertRaises(tv.core.InputError): tv.MagmaticFluid(composition=self.majors, default_normalization='garbage')
def test_setdefaults_standard_molfrac(self): sample = tv.MagmaticFluid(self.majors, default_normalization='standard', default_units='molfrac') self.assertEqual(sample.default_normalization, 'standard') self.assertEqual(sample.default_units, 'molfrac')
def test_setdefaults_none_wtpt(self): sample = tv.MagmaticFluid(self.majors, default_normalization='none', default_units='wtpercent') self.assertEqual(sample.default_normalization, 'none') self.assertEqual(sample.default_units, 'wtpercent')