[ck2cti] Refactored to add class Parser and remove global variables
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Ray Speth
parent
60d44997e0
commit
8ae3ca5a17
2 changed files with 772 additions and 786 deletions
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@ -7,6 +7,12 @@ import ck2cti
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import utilities
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import Cantera as ct
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def convertMech(*args, **kwargs):
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parser = ck2cti.Parser()
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parser.convertMech(*args, **kwargs)
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class chemkinConverterTest(utilities.CanteraTest):
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def checkConversion(self, refFile, testFile):
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ref = ct.IdealGasMix(refFile)
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@ -56,9 +62,9 @@ class chemkinConverterTest(utilities.CanteraTest):
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if os.path.exists('gri30_test.cti'):
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os.remove('gri30_test.cti')
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ck2cti.convertMech('../../data/inputs/gri30.inp',
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transportFile='../../data/transport/gri30_tran.dat',
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outName='gri30_test.cti', quiet=True)
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convertMech('../../data/inputs/gri30.inp',
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transportFile='../../data/transport/gri30_tran.dat',
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outName='gri30_test.cti', quiet=True)
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ref, gas = self.checkConversion('gri30.xml', 'gri30_test.cti')
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self.checkKinetics(ref, gas, [300, 1500], [5e3, 1e5, 2e6])
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@ -67,9 +73,9 @@ class chemkinConverterTest(utilities.CanteraTest):
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if os.path.exists('soot_test.cti'):
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os.remove('soot_test.cti')
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ck2cti.convertMech('../data/soot.inp',
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thermoFile='../data/soot-therm.dat',
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outName='soot_test.cti', quiet=True)
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convertMech('../data/soot.inp',
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thermoFile='../data/soot-therm.dat',
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outName='soot_test.cti', quiet=True)
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ref, gas = self.checkConversion('../data/soot.xml', 'soot_test.cti')
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self.checkThermo(ref, gas, [300, 1100])
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@ -79,8 +85,8 @@ class chemkinConverterTest(utilities.CanteraTest):
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if os.path.exists('pdep_test.cti'):
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os.remove('pdep_test.cti')
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ck2cti.convertMech('../data/pdep-test.inp',
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outName='pdep_test.cti', quiet=True)
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convertMech('../data/pdep-test.inp',
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outName='pdep_test.cti', quiet=True)
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ref, gas = self.checkConversion('../data/pdep-test.xml', 'pdep_test.cti')
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self.checkKinetics(ref, gas, [300, 800, 1450, 2800], [5e3, 1e5, 2e6])
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@ -91,23 +97,23 @@ class chemkinConverterTest(utilities.CanteraTest):
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os.remove('h2o2_missingElement.cti')
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self.assertRaises(ck2cti.InputParseError,
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lambda: ck2cti.convertMech('../data/h2o2_missingElement.inp',
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quiet=True))
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lambda: convertMech('../data/h2o2_missingElement.inp',
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quiet=True))
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def test_missingThermo(self):
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if os.path.exists('h2o2_missingThermo.cti'):
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os.remove('h2o2_missingThermo.cti')
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self.assertRaises(ck2cti.InputParseError,
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lambda: ck2cti.convertMech('../data/h2o2_missingThermo.inp',
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quiet=True))
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lambda: convertMech('../data/h2o2_missingThermo.inp',
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quiet=True))
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def test_nasa9(self):
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if os.path.exists('nasa9_test.cti'):
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os.remove('nasa9_test.cti')
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ck2cti.convertMech('../data/nasa9-test.inp',
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thermoFile='../data/nasa9-test-therm.dat',
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outName='nasa9_test.cti', quiet=True)
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convertMech('../data/nasa9-test.inp',
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thermoFile='../data/nasa9-test-therm.dat',
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outName='nasa9_test.cti', quiet=True)
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ref, gas = self.checkConversion('../data/nasa9-test.xml',
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'nasa9_test.cti')
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@ -116,9 +122,9 @@ class chemkinConverterTest(utilities.CanteraTest):
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def test_sri_falloff(self):
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if os.path.exists('sri-falloff.cti'):
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os.remove('sri-falloff.cti')
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ck2cti.convertMech('../data/sri-falloff.inp',
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thermoFile='../data/dummy-thermo.dat',
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outName='sri-falloff.cti', quiet=True)
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convertMech('../data/sri-falloff.inp',
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thermoFile='../data/dummy-thermo.dat',
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outName='sri-falloff.cti', quiet=True)
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ref, gas = self.checkConversion('../data/sri-falloff.xml',
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'sri-falloff.cti')
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@ -127,8 +133,8 @@ class chemkinConverterTest(utilities.CanteraTest):
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def test_explicit_third_bodies(self):
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if os.path.exists('explicit-third-bodies.cti'):
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os.path.remove('explicit-third-bodies.cti')
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ck2cti.convertMech('../data/explicit-third-bodies.inp',
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thermoFile='../data/dummy-thermo.dat', quiet=True)
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convertMech('../data/explicit-third-bodies.inp',
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thermoFile='../data/dummy-thermo.dat', quiet=True)
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ref, gas = self.checkConversion('explicit-third-bodies.cti',
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'../data/explicit-third-bodies.xml')
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@ -137,9 +143,9 @@ class chemkinConverterTest(utilities.CanteraTest):
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def test_explicit_reverse_rate(self):
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if os.path.exists('explicit-reverse-rate.cti'):
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os.remove('explicit-reverse-rate.cti')
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ck2cti.convertMech('../data/explicit-reverse-rate.inp',
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thermoFile='../data/dummy-thermo.dat',
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outName='explicit-reverse-rate.cti', quiet=True)
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convertMech('../data/explicit-reverse-rate.inp',
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thermoFile='../data/dummy-thermo.dat',
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outName='explicit-reverse-rate.cti', quiet=True)
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ref, gas = self.checkConversion('../data/explicit-reverse-rate.xml',
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'explicit-reverse-rate.cti')
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self.checkKinetics(ref, gas, [300, 800, 1450, 2800], [5e3, 1e5, 2e6])
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@ -157,9 +163,9 @@ class chemkinConverterTest(utilities.CanteraTest):
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def test_explicit_forward_order(self):
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if os.path.exists('explicit-forward-order.cti'):
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os.remove('explicit-forward-order.cti')
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ck2cti.convertMech('../data/explicit-forward-order.inp',
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thermoFile='../data/dummy-thermo.dat',
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outName='explicit-forward-order.cti', quiet=True)
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convertMech('../data/explicit-forward-order.inp',
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thermoFile='../data/dummy-thermo.dat',
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outName='explicit-forward-order.cti', quiet=True)
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ref, gas = self.checkConversion('../data/explicit-forward-order.xml',
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'explicit-forward-order.cti')
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self.checkKinetics(ref, gas, [300, 800, 1450, 2800], [5e3, 1e5, 2e6])
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@ -168,9 +174,9 @@ class chemkinConverterTest(utilities.CanteraTest):
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if os.path.exists('h2o2_transport_normal.cti'):
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os.remove('h2o2_transport_normal.cti')
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ck2cti.convertMech('../../data/inputs/h2o2.inp',
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transportFile='../../data/transport/gri30_tran.dat',
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outName='h2o2_transport_normal.cti', quiet=True)
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convertMech('../../data/inputs/h2o2.inp',
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transportFile='../../data/transport/gri30_tran.dat',
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outName='h2o2_transport_normal.cti', quiet=True)
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gas = ct.IdealGasMix('h2o2_transport_normal.cti')
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gas.set(X='H2:1.0, O2:1.0', T=300, P=101325)
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@ -181,10 +187,10 @@ class chemkinConverterTest(utilities.CanteraTest):
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os.remove('h2o2_transport_missing_species.cti')
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def convert():
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ck2cti.convertMech('../../data/inputs/h2o2.inp',
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transportFile='../data/h2o2-missing-species-tran.dat',
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outName='h2o2_transport_missing_species.cti',
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quiet=True)
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convertMech('../../data/inputs/h2o2.inp',
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transportFile='../data/h2o2-missing-species-tran.dat',
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outName='h2o2_transport_missing_species.cti',
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quiet=True)
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self.assertRaises(ck2cti.InputParseError, convert)
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@ -193,20 +199,20 @@ class chemkinConverterTest(utilities.CanteraTest):
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os.remove('h2o2_transport_duplicate_species.cti')
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def convert():
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ck2cti.convertMech('../../data/inputs/h2o2.inp',
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transportFile='../data/h2o2-duplicate-species-tran.dat',
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outName='h2o2_transport_duplicate_species.cti',
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quiet=True)
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convertMech('../../data/inputs/h2o2.inp',
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transportFile='../data/h2o2-duplicate-species-tran.dat',
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outName='h2o2_transport_duplicate_species.cti',
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quiet=True)
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# This should fail
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self.assertRaises(ck2cti.InputParseError, convert)
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# This should succeed
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ck2cti.convertMech('../../data/inputs/h2o2.inp',
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transportFile='../data/h2o2-duplicate-species-tran.dat',
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outName='h2o2_transport_duplicate_species.cti',
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quiet=True,
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permissive=True)
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convertMech('../../data/inputs/h2o2.inp',
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transportFile='../data/h2o2-duplicate-species-tran.dat',
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outName='h2o2_transport_duplicate_species.cti',
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quiet=True,
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permissive=True)
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def test_transport_bad_geometry(self):
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@ -214,9 +220,9 @@ class chemkinConverterTest(utilities.CanteraTest):
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os.remove('h2o2_transport_bad_geometry.cti')
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def convert():
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ck2cti.convertMech('../../data/inputs/h2o2.inp',
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transportFile='../data/h2o2-bad-geometry-tran.dat',
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outName='h2o2_transport_bad_geometry.cti',
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quiet=True)
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convertMech('../../data/inputs/h2o2.inp',
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transportFile='../data/h2o2-bad-geometry-tran.dat',
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outName='h2o2_transport_bad_geometry.cti',
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quiet=True)
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self.assertRaises(ck2cti.InputParseError, convert)
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