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[ctml2yaml] Add conversion for more transport models

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This commit is contained in:
Bryan W. Weber
2019-11-13 08:05:27 -07:00
parent c5c0902da2
commit 645a86a7ca
3 changed files with 76 additions and 4 deletions
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8
interfaces/cython/cantera/ctml2yaml.py
View File

@@ -291,10 +291,10 @@ class Phase:
"Water": "water",
"none": None,
None: None,
"UnityLewis": "unity-Lewis-number", # added
"CK_Mix": "mixture-averaged-CK", # added
"CK_Multi": "multicomponent-CK", # added
"HighP": "high-pressure", # added
"UnityLewis": "unity-Lewis-number",
"CK_Mix": "mixture-averaged-CK",
"CK_Multi": "multicomponent-CK",
"HighP": "high-pressure",
}
_state_properties_mapping = {

7
interfaces/cython/cantera/test/test_convert.py
View File

@@ -1171,3 +1171,10 @@ class ctml2yamlTest(utilities.CanteraTest):
# self.assertEqual(ctmlPhase.species_names, yamlPhase.species_names)
ctmlPhase, yamlPhase = self.checkConversion("IdealMolalSolnPhaseExample")
self.checkThermo(ctmlPhase, yamlPhase, [300, 500])
def test_transport_models(self):
ctml2yaml.convert(Path(self.test_data_dir).joinpath("transport_models_test.xml"),
Path(self.test_work_dir).joinpath("transport_models_test.yaml"))
for name in ["UnityLewis", "CK_Mix", "CK_Multi", "HighP"]:
ctmlPhase, yamlPhase = self.checkConversion("transport_models_test", name=name)
self.checkTransport(ctmlPhase, yamlPhase, [298, 1001, 2500])

65
test/data/transport_models_test.xml Normal file
View File

@@ -0,0 +1,65 @@
<?xml version="1.0"?>
<ctml>
<validate species="yes" reactions="yes"/>
<phase id="UnityLewis" dim="3">
<elementArray datasrc="elements.xml">H C</elementArray>
<speciesArray datasrc="gri30.xml#species_data">H H2 CH3 CH4</speciesArray>
<reactionArray datasrc="gri30.xml#reaction_data">
<skip species="undeclared" third_bodies="undeclared"/>
</reactionArray>
<state>
<temperature units="K">1200.0</temperature>
<pressure units="Pa">2666.4473684210525</pressure>
<moleFractions>H:0.002, H2:0.988, CH3:0.0002, CH4:0.01</moleFractions>
</state>
<thermo model="IdealGas"/>
<kinetics model="GasKinetics"/>
<transport model="UnityLewis"/>
</phase>
<phase id="CK_Mix" dim="3">
<elementArray datasrc="elements.xml">H C</elementArray>
<speciesArray datasrc="gri30.xml#species_data">H H2 CH3 CH4</speciesArray>
<reactionArray datasrc="gri30.xml#reaction_data">
<skip species="undeclared" third_bodies="undeclared"/>
</reactionArray>
<state>
<temperature units="K">1200.0</temperature>
<pressure units="Pa">2666.4473684210525</pressure>
<moleFractions>H:0.002, H2:0.988, CH3:0.0002, CH4:0.01</moleFractions>
</state>
<thermo model="IdealGas"/>
<kinetics model="GasKinetics"/>
<transport model="CK_Mix"/>
</phase>
<phase id="CK_Multi" dim="3">
<elementArray datasrc="elements.xml">H C</elementArray>
<speciesArray datasrc="gri30.xml#species_data">H H2 CH3 CH4</speciesArray>
<reactionArray datasrc="gri30.xml#reaction_data">
<skip species="undeclared" third_bodies="undeclared"/>
</reactionArray>
<state>
<temperature units="K">1200.0</temperature>
<pressure units="Pa">2666.4473684210525</pressure>
<moleFractions>H:0.002, H2:0.988, CH3:0.0002, CH4:0.01</moleFractions>
</state>
<thermo model="IdealGas"/>
<kinetics model="GasKinetics"/>
<transport model="CK_Multi"/>
</phase>
<phase id="HighP" dim="3">
<elementArray datasrc="elements.xml">H C</elementArray>
<speciesArray datasrc="gri30.xml#species_data">H H2 CH3 CH4</speciesArray>
<reactionArray datasrc="gri30.xml#reaction_data">
<skip species="undeclared" third_bodies="undeclared"/>
</reactionArray>
<state>
<temperature units="K">1200.0</temperature>
<pressure units="Pa">2666.4473684210525</pressure>
<moleFractions>H:0.002, H2:0.988, CH3:0.0002, CH4:0.01</moleFractions>
</state>
<thermo model="IdealGas"/>
<kinetics model="GasKinetics"/>
<transport model="HighP"/>
</phase>
</ctml>