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[Cython] Move equilibrium tests from old Python module to Cython module

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This commit is contained in:
Ray Speth 2013-12-09 01:34:41 +00:00
parent 6ec7d04839
commit 59564659b3
3 changed files with 28 additions and 30 deletions
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1
interfaces/cython/cantera/test/__init__.py
View file

@ -5,6 +5,7 @@ cantera.add_directory(os.path.join(os.path.dirname(__file__), 'data'))
from .test_thermo import *
from .test_purefluid import *
from .test_equilibrium import *
from .test_kinetics import *
from .test_transport import *
from .test_mixture import *

54
test/python/testEquilibrium.py → interfaces/cython/cantera/test/test_equilibrium.py
View file

@ -4,26 +4,24 @@ import unittest
import numpy as np
import Cantera as ct
import cantera as ct
from . import utilities
class EquilTestCases(object):
def __init__(self, solver):
self.solver = solver
"""
Test the ChemEquil equilibrium solver
"""
def check(self, gas, **moles):
nTotal = sum(moles.values())
for name,X in moles.iteritems():
self.assertAlmostEqual(gas.moleFraction(name), X/nTotal)
for name,X in moles.items():
self.assertAlmostEqual(gas[name].X[0], X/nTotal)
def test_equil_complete_stoichiometric(self):
"""
Equilibrium should correspond to complete combustion
"""
gas = ct.importPhase('equilibrium.cti', 'complete')
gas.set(X='CH4:1.0, O2:2.0', T=298, P=100000)
gas = ct.Solution('equilibrium.cti', 'complete')
gas.TPX = 298, 100000, 'CH4:1.0, O2:2.0'
gas.equilibrate('TP', self.solver)
self.check(gas, CH4=0, O2=0, H2O=2, CO2=1)
@ -32,61 +30,61 @@ class EquilTestCases(object):
Equilibrium should correspond to complete combustion (with excess O2)
CH4 + 3 O2 -> CO2 + 2 H2O + O2
"""
gas = ct.importPhase('equilibrium.cti', 'complete')
gas.set(X='CH4:1.0, O2:3.0', T=298, P=100000)
gas = ct.Solution('equilibrium.cti', 'complete')
gas.TPX = 298, 100000, 'CH4:1.0, O2:3.0'
gas.equilibrate('TP', self.solver)
self.check(gas, CH4=0, O2=1, H2O=2, CO2=1)
def test_equil_incomplete_stoichiometric(self):
gas = ct.importPhase('equilibrium.cti', 'incomplete')
gas.set(X='CH4:1.0, O2:2.0', T=301, P=100000)
gas = ct.Solution('equilibrium.cti', 'incomplete')
gas.TPX = 301, 100000, 'CH4:1.0, O2:2.0'
gas.equilibrate('TP', self.solver)
self.check(gas, CH4=0, O2=0, H2O=2, CO2=1)
def test_equil_incomplete_lean(self):
gas = ct.importPhase('equilibrium.cti', 'incomplete')
gas.set(X='CH4:1.0, O2:3.0', T=301, P=100000)
gas = ct.Solution('equilibrium.cti', 'incomplete')
gas.TPX = 301, 100000, 'CH4:1.0, O2:3.0'
gas.equilibrate('TP', self.solver)
self.check(gas, CH4=0, O2=1, H2O=2, CO2=1)
def test_equil_gri_stoichiometric(self):
gas = ct.importPhase('gri30.xml')
gas.set(X='CH4:1.0, O2:2.0', T=301, P=100000)
gas = ct.Solution('gri30.xml')
gas.TPX = 301, 100000, 'CH4:1.0, O2:2.0'
gas.equilibrate('TP', self.solver)
self.check(gas, CH4=0, O2=0, H2O=2, CO2=1)
def test_equil_gri_lean(self):
gas = ct.importPhase('gri30.xml')
gas.set(X='CH4:1.0, O2:3.0', T=301, P=100000)
gas = ct.Solution('gri30.xml')
gas.TPX = 301, 100000, 'CH4:1.0, O2:3.0'
gas.equilibrate('TP', self.solver)
self.check(gas, CH4=0, O2=1, H2O=2, CO2=1)
def test_equil_overconstrained1(self):
gas = ct.importPhase('equilibrium.cti', 'overconstrained-1')
gas.set(X='CH4:1.0, O2:1.0', T=301, P=100000)
gas = ct.Solution('equilibrium.cti', 'overconstrained-1')
gas.TPX = 301, 100000, 'CH4:1.0, O2:1.0'
gas.equilibrate('TP', self.solver)
self.check(gas, CH4=1, O2=1)
def test_equil_overconstrained2(self):
gas = ct.importPhase('equilibrium.cti', 'overconstrained-2')
gas.set(X='CH4:1.0, O2:1.0', T=301, P=100000)
gas = ct.Solution('equilibrium.cti', 'overconstrained-2')
gas.TPX = 301, 100000, 'CH4:1.0, O2:1.0'
gas.equilibrate('TP', self.solver)
self.check(gas, CH4=1, O2=1)
class ChemEquilTest(EquilTestCases, unittest.TestCase):
class ChemEquilTest(EquilTestCases, utilities.CanteraTest):
def __init__(self, *args, **kwargs):
EquilTestCases.__init__(self, 0)
EquilTestCases.__init__(self, 'element_potential')
unittest.TestCase.__init__(self, *args, **kwargs)
class MultiphaseEquilTest(EquilTestCases, unittest.TestCase):
class MultiphaseEquilTest(EquilTestCases, utilities.CanteraTest):
def __init__(self, *args, **kwargs):
EquilTestCases.__init__(self, 1)
EquilTestCases.__init__(self, 'gibbs')
unittest.TestCase.__init__(self, *args, **kwargs)
class VCS_EquilTest(EquilTestCases, unittest.TestCase):
class VCS_EquilTest(EquilTestCases, utilities.CanteraTest):
def __init__(self, *args, **kwargs):
EquilTestCases.__init__(self, 2)
EquilTestCases.__init__(self, 'vcs')
unittest.TestCase.__init__(self, *args, **kwargs)

3
test/python/runTests.py
View file

@ -21,8 +21,7 @@ if __name__ == '__main__':
loader = unittest.TestLoader()
runner = unittest.TextTestRunner(verbosity=2)
suite = loader.loadTestsFromName('testEquilibrium')
suite.addTests(loader.loadTestsFromName('testReactors'))
suite = loader.loadTestsFromName('testReactors')
suite.addTests(loader.loadTestsFromName('testConvert'))
results = runner.run(suite)