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[Test] Replace simplephases.cti with YAML

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This commit is contained in:
Ray Speth
2021-04-29 18:37:15 -04:00
parent f78f79637a
commit 93dc119e09
3 changed files with 70 additions and 46 deletions
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36
test/data/simplephases.cti
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@@ -1,36 +0,0 @@
units(length="m", time="s", quantity="mol", energy="J")
ideal_gas(name="simple1",
elements = "H O C",
species = " O2 H2 H2O ")
ideal_gas(name="nasa1",
elements = "H O C",
species = "gri30: O2 H2 H2O ")
ideal_gas(name="shomate1",
elements = "H O C",
species = "CO CO2")
species(name="O2", atoms="O:2",
thermo=const_cp(h0=0.0, s0=205.152, cp0=29.39))
species(name="H2", atoms="H:2",
thermo=const_cp(h0=0.0, s0=130.680, cp0=28.85))
species(name="H2O", atoms="H:2 O:1",
thermo=const_cp(h0=-241826.0, s0=188.84, cp0=35.22))
species(name="CO", atoms="C:1 O:1",
thermo=(Shomate([298, 1300],
[25.56759, 6.096130, 4.054656, -2.671301,
0.131021, -118.0089, 227.3665]),
Shomate([1300, 6000],
[35.15070, 1.300095, -0.205921, 0.013550,
-3.282780, -127.8375, 231.7120])))
species(name="CO2", atoms="C:1 O:2",
thermo=(Shomate([298, 1200],
[24.99735, 55.18696, -33.69137, 7.948387,
-0.136638, -403.6075, 228.2431]),
Shomate([1200, 6000],
[58.16639, 2.720074,-0.492289, 0.038844,
-6.447293,-425.9186, 263.6125])))

60
test/data/simplephases.yaml Normal file
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@@ -0,0 +1,60 @@
generator: cti2yaml
cantera-version: 2.6.0a2
date: Thu, 29 Apr 2021 18:35:16 -0400
input-files: [simplephases.cti]
units: {quantity: mol}
phases:
- name: simple1
thermo: ideal-gas
elements: [H, O, C]
species: [O2, H2, H2O]
- name: nasa1
thermo: ideal-gas
elements: [H, O, C]
species:
- gri30.yaml/species: [O2, H2, H2O]
- name: shomate1
thermo: ideal-gas
elements: [H, O, C]
species: [CO, CO2]
species:
- name: O2
composition: {O: 2}
thermo:
model: constant-cp
h0: 0.0
s0: 205.152
cp0: 29.39
- name: H2
composition: {H: 2}
thermo:
model: constant-cp
h0: 0.0
s0: 130.68
cp0: 28.85
- name: H2O
composition: {H: 2, O: 1}
thermo:
model: constant-cp
h0: -2.41826e+05
s0: 188.84
cp0: 35.22
- name: CO
composition: {C: 1, O: 1}
thermo:
model: Shomate
temperature-ranges: [298, 1300, 6000]
data:
- [25.56759, 6.09613, 4.054656, -2.671301, 0.131021, -118.0089, 227.3665]
- [35.1507, 1.300095, -0.205921, 0.01355, -3.28278, -127.8375, 231.712]
- name: CO2
composition: {C: 1, O: 2}
thermo:
model: Shomate
temperature-ranges: [298, 1200, 6000]
data:
- [24.99735, 55.18696, -33.69137, 7.948387, -0.136638, -403.6075, 228.2431]
- [58.16639, 2.720074, -0.492289, 0.038844, -6.447293, -425.9186, 263.6125]

20
test/thermo/thermoParameterizations.cpp
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@@ -34,8 +34,8 @@ double c_co2[] = {298.15, -3.9351e8, 2.13785e5, 3.712e4};
TEST_F(SpeciesThermoInterpTypeTest, install_const_cp)
{
// Compare against instantiation from CTI file
IdealGasPhase p2("../data/simplephases.cti", "simple1");
// Compare against instantiation from YAML file
IdealGasPhase p2("simplephases.yaml", "simple1");
auto sO2 = make_shared<Species>("O2", parseCompString("O:2"));
auto sH2 = make_shared<Species>("H2", parseCompString("H:2"));
auto sH2O = make_shared<Species>("H2O", parseCompString("H:2 O:1"));
@@ -69,8 +69,8 @@ TEST_F(SpeciesThermoInterpTypeTest, DISABLED_install_bad_pref)
TEST_F(SpeciesThermoInterpTypeTest, install_nasa)
{
// Compare against instantiation from CTI file
IdealGasPhase p2("../data/simplephases.cti", "nasa1");
// Compare against instantiation from YAML file
IdealGasPhase p2("simplephases.yaml", "nasa1");
auto sO2 = make_shared<Species>("O2", parseCompString("O:2"));
auto sH2 = make_shared<Species>("H2", parseCompString("H:2"));
auto sH2O = make_shared<Species>("H2O", parseCompString("H:2 O:1"));
@@ -91,8 +91,8 @@ TEST_F(SpeciesThermoInterpTypeTest, install_nasa)
TEST_F(SpeciesThermoInterpTypeTest, install_shomate)
{
// Compare against instantiation from CTI file
IdealGasPhase p2("../data/simplephases.cti", "shomate1");
// Compare against instantiation from YAML file
IdealGasPhase p2("simplephases.yaml", "shomate1");
auto sCO = make_shared<Species>("CO", parseCompString("C:1 O:1"));
auto sCO2 = make_shared<Species>("CO2", parseCompString("C:1 O:2"));
sCO->thermo.reset(new ShomatePoly2(200, 6000, 101325, co_shomate_coeffs));
@@ -243,7 +243,7 @@ TEST(SpeciesThermo, Mu0PolyFromYaml) {
}
TEST(SpeciesThermo, NasaPoly2ToYaml) {
shared_ptr<Solution> soln = newSolution("../data/simplephases.cti", "nasa1");
shared_ptr<Solution> soln = newSolution("simplephases.yaml", "nasa1");
auto original = soln->thermo()->species("H2O")->thermo;
AnyMap h2o_data1 = original->parameters();
AnyMap h2o_data2 = AnyMap::fromYamlString(h2o_data1.toYamlString());
@@ -260,7 +260,7 @@ TEST(SpeciesThermo, NasaPoly2ToYaml) {
}
TEST(SpeciesThermo, ShomatePolyToYaml) {
shared_ptr<Solution> soln = newSolution("../data/simplephases.cti", "shomate1");
shared_ptr<Solution> soln = newSolution("simplephases.yaml", "shomate1");
auto original = soln->thermo()->species("CO2")->thermo;
AnyMap co2_data1 = original->parameters();
AnyMap co2_data2 = AnyMap::fromYamlString(co2_data1.toYamlString());
@@ -277,7 +277,7 @@ TEST(SpeciesThermo, ShomatePolyToYaml) {
}
TEST(SpeciesThermo, ConstCpToYaml) {
shared_ptr<Solution> soln = newSolution("../data/simplephases.cti", "simple1");
shared_ptr<Solution> soln = newSolution("simplephases.yaml", "simple1");
auto original = soln->thermo()->species("H2O")->thermo;
AnyMap h2o_data1 = original->parameters();
AnyMap h2o_data2 = AnyMap::fromYamlString(h2o_data1.toYamlString());
@@ -311,7 +311,7 @@ TEST(SpeciesThermo, PiecewiseGibbsToYaml) {
}
TEST(SpeciesThermo, Nasa9PolyToYaml) {
shared_ptr<Solution> soln = newSolution("airNASA9.cti");
shared_ptr<Solution> soln = newSolution("airNASA9.yaml");
auto original = soln->thermo()->species("N2+")->thermo;
AnyMap n2p_data1 = original->parameters();
AnyMap n2p_data2 = AnyMap::fromYamlString(n2p_data1.toYamlString());