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')
