diff --git a/src/tests/catch_test_alphaig.cxx b/src/tests/catch_test_alphaig.cxx
index c19d24e749c521546bd06c39cb0b819c59b4521c..b541e8810b364faadfc66d637865f312ef4133f3 100644
--- a/src/tests/catch_test_alphaig.cxx
+++ b/src/tests/catch_test_alphaig.cxx
@@ -9,55 +9,55 @@ using Catch::Approx;
using namespace teqp;
TEST_CASE("Simplest case","[alphaig]") {
- double a_1 = 1, a_2 = 2, T = 300;
- nlohmann::json j0 = nlohmann::json::array();
- j0.push_back({ {"type", "Lead"}, { "a_1", 1 }, { "a_2", 2 } });
- nlohmann::json j = nlohmann::json::array();
- j.push_back(j0);
- IdealHelmholtz ih(j);
- std::valarray<double> molefrac{1.0};
- REQUIRE(ih.alphaig(T, 1, molefrac) == log(1) + a_1 + a_2 / T);
+ double a_1 = 1, a_2 = 2, T = 300;
+ nlohmann::json j0 = nlohmann::json::array();
+ j0.push_back({ {"type", "Lead"}, { "a_1", 1 }, { "a_2", 2 } });
+ nlohmann::json j = nlohmann::json::array();
+ j.push_back(j0);
+ IdealHelmholtz ih(j);
+ std::valarray<double> molefrac{1.0};
+ REQUIRE(ih.alphaig(T, 1, molefrac) == log(1) + a_1 + a_2 / T);
}
TEST_CASE("alphaig derivative", "[alphaig]") {
- double a_1 = 1, a_2 = 2, T = 300, rho = 1;
- nlohmann::json j0 = nlohmann::json::array();
- j0.push_back({ {"type", "Lead"}, { "a_1", 1 }, { "a_2", 2 } }); // For the first component
- nlohmann::json j = nlohmann::json::array();
- j.push_back(j0);
- IdealHelmholtz ih(j);
- auto molefrac = (Eigen::ArrayXd(1) << 1.0).finished();
- auto wih = AlphaCallWrapper<1, decltype(ih)>(ih);
- wih.alpha(T, rho, molefrac);
- using tdx = TDXDerivatives<decltype(ih), double, Eigen::ArrayXd>;
- SECTION("All cross derivatives should be zero") {
- REQUIRE(tdx::get_Agenxy<1, 1, ADBackends::autodiff>(wih, T, rho, molefrac) == 0);
- REQUIRE(tdx::get_Agenxy<1, 2, ADBackends::autodiff>(wih, T, rho, molefrac) == 0);
- REQUIRE(tdx::get_Agenxy<1, 3, ADBackends::autodiff>(wih, T, rho, molefrac) == 0);
- REQUIRE(tdx::get_Agenxy<2, 1, ADBackends::autodiff>(wih, T, rho, molefrac) == 0);
- REQUIRE(tdx::get_Agenxy<2, 2, ADBackends::autodiff>(wih, T, rho, molefrac) == 0);
- REQUIRE(tdx::get_Agenxy<2, 3, ADBackends::autodiff>(wih, T, rho, molefrac) == 0);
- }
+ double a_1 = 1, a_2 = 2, T = 300, rho = 1;
+ nlohmann::json j0 = nlohmann::json::array();
+ j0.push_back({ {"type", "Lead"}, { "a_1", 1 }, { "a_2", 2 } }); // For the first component
+ nlohmann::json j = nlohmann::json::array();
+ j.push_back(j0);
+ IdealHelmholtz ih(j);
+ auto molefrac = (Eigen::ArrayXd(1) << 1.0).finished();
+ auto wih = AlphaCallWrapper<1, decltype(ih)>(ih);
+ wih.alpha(T, rho, molefrac);
+ using tdx = TDXDerivatives<decltype(ih), double, Eigen::ArrayXd>;
+ SECTION("All cross derivatives should be zero") {
+ REQUIRE(tdx::get_Agenxy<1, 1, ADBackends::autodiff>(wih, T, rho, molefrac) == 0);
+ REQUIRE(tdx::get_Agenxy<1, 2, ADBackends::autodiff>(wih, T, rho, molefrac) == 0);
+ REQUIRE(tdx::get_Agenxy<1, 3, ADBackends::autodiff>(wih, T, rho, molefrac) == 0);
+ REQUIRE(tdx::get_Agenxy<2, 1, ADBackends::autodiff>(wih, T, rho, molefrac) == 0);
+ REQUIRE(tdx::get_Agenxy<2, 2, ADBackends::autodiff>(wih, T, rho, molefrac) == 0);
+ REQUIRE(tdx::get_Agenxy<2, 3, ADBackends::autodiff>(wih, T, rho, molefrac) == 0);
+ }
}
TEST_CASE("Ammonia derivative", "[alphaig][NH3]") {
- double T = 300, rho = 10;
- double c0 = 4;
- double a1 = -6.59406093943886, a2 = 5.60101151987913;
- double Tcrit = 405.56, rhocrit = 13696.0;
- std::valarray<double> n = { 2.224, 3.148, 0.9579 }, theta = { 1646, 3965, 7231 };
+ double T = 300, rho = 10;
+ double c0 = 4;
+ double a1 = -6.59406093943886, a2 = 5.60101151987913;
+ double Tcrit = 405.56, rhocrit = 13696.0;
+ std::valarray<double> n = { 2.224, 3.148, 0.9579 }, theta = { 1646, 3965, 7231 };
- using o = nlohmann::json::object_t;
- nlohmann::json j = { {
- o{ {"type", "Lead"}, { "a_1", a1 - log(rhocrit) }, { "a_2", a2 * Tcrit } },
- o{ {"type", "LogT"}, { "a", -(c0 - 1) } },
- o{ {"type", "Constant"}, { "a", (c0 - 1) * log(Tcrit) } }, // Term from ln(tau)
- o{ {"type", "PlanckEinstein"}, { "n", n}, {"theta", theta}}
- } };
- IdealHelmholtz ih(j);
- auto molefrac = (Eigen::ArrayXd(1) << 1.0).finished();
- auto wih = AlphaCallWrapper<1, decltype(ih)>(ih);
- auto calc = wih.alpha(T, rho, molefrac);
- auto expected = -5.3492909452728545;
- REQUIRE(calc == Approx(expected));
+ using o = nlohmann::json::object_t;
+ nlohmann::json j = { {
+ o{ {"type", "Lead"}, { "a_1", a1 - log(rhocrit) }, { "a_2", a2 * Tcrit } },
+ o{ {"type", "LogT"}, { "a", -(c0 - 1) } },
+ o{ {"type", "Constant"}, { "a", (c0 - 1) * log(Tcrit) } }, // Term from ln(tau)
+ o{ {"type", "PlanckEinstein"}, { "n", n}, {"theta", theta}}
+ } };
+ IdealHelmholtz ih(j);
+ auto molefrac = (Eigen::ArrayXd(1) << 1.0).finished();
+ auto wih = AlphaCallWrapper<1, decltype(ih)>(ih);
+ auto calc = wih.alpha(T, rho, molefrac);
+ auto expected = -5.3492909452728545;
+ REQUIRE(calc == Approx(expected));
}
\ No newline at end of file
diff --git a/src/tests/catch_test_ammonia_water.cxx b/src/tests/catch_test_ammonia_water.cxx
index 0f17cbc0b4c97c336b2337b7914cdb59a66e5d4f..26a35a5155dd68215d014fc890863b468fbd91a1 100644
--- a/src/tests/catch_test_ammonia_water.cxx
+++ b/src/tests/catch_test_ammonia_water.cxx
@@ -10,58 +10,58 @@ using Catch::Approx;
using namespace teqp;
TEST_CASE("Trace critical curve w/ Tillner-Roth", "[NHfty3H2O]") {
- auto model = AmmoniaWaterTillnerRoth();
- auto z = (Eigen::ArrayXd(2) << 0.7, 0.3).finished();
- auto Ar01 = teqp::TDXDerivatives<decltype(model)>::get_Ar01(model, 300, 300, z);
+ auto model = AmmoniaWaterTillnerRoth();
+ auto z = (Eigen::ArrayXd(2) << 0.7, 0.3).finished();
+ auto Ar01 = teqp::TDXDerivatives<decltype(model)>::get_Ar01(model, 300, 300, z);
- double T0 = 405.40;
- auto rhovec0 = (Eigen::ArrayXd(2) << 225/0.01703026, 0).finished();
- auto prc0 = IsochoricDerivatives<decltype(model)>::get_pr(model, T0, rhovec0);
- auto pig0 = rhovec0.sum() * model.R(rhovec0/rhovec0.sum())*T0;
- REQUIRE(prc0 + pig0 == Approx(11.33e6).margin(0.01e6));
+ double T0 = 405.40;
+ auto rhovec0 = (Eigen::ArrayXd(2) << 225/0.01703026, 0).finished();
+ auto prc0 = IsochoricDerivatives<decltype(model)>::get_pr(model, T0, rhovec0);
+ auto pig0 = rhovec0.sum() * model.R(rhovec0/rhovec0.sum())*T0;
+ REQUIRE(prc0 + pig0 == Approx(11.33e6).margin(0.01e6));
- TCABOptions opt; opt.polish = true; opt.integration_order = 1; opt.init_dt = 100;
- CriticalTracing<decltype(model)>::trace_critical_arclength_binary(model, T0, rhovec0, "TillnerRoth_crit.csv", opt);
+ TCABOptions opt; opt.polish = true; opt.integration_order = 1; opt.init_dt = 100;
+ CriticalTracing<decltype(model)>::trace_critical_arclength_binary(model, T0, rhovec0, "TillnerRoth_crit.csv", opt);
}
TEST_CASE("Bell et al. REFPROP 10", "[NH3H2O]") {
- auto model = build_multifluid_model({ "AMMONIA", "WATER" }, "../mycp", "", {{ "estimate","Lorentz-Berthelot" }});
+ auto model = build_multifluid_model({ "AMMONIA", "WATER" }, "../mycp", "", {{ "estimate","Lorentz-Berthelot" }});
- std::string s = R"({
+ std::string s = R"({
"0": {
"1": {
"BIP": {
"betaT": 0.933585,
- "gammaT": 1.015826,
- "betaV": 1.044759,
- "gammaV": 1.189754,
+ "gammaT": 1.015826,
+ "betaV": 1.044759,
+ "gammaV": 1.189754,
"Fij": 1.0
},
"departure":{
- "type": "Gaussian+Exponential",
- "n": [-2.00211,3.0813,-1.75352,2.9816,-3.82588,-1.7385,0.42008],
- "t": [0.25,2.0,0.5,2.0,1.0,4.0,1.0],
- "d": [1.0,1.0,1.0,1.0,1.0,1.0,3.0],
- "l": [2.0,1.0,0.0,0.0,0.0,0.0,0.0],
- "eta": [0.0,0.0,0.0,0.746,4.25,0.7,3.0],
- "beta": [0.0,0.0,0.27,0.86,3.0,0.5,4.0],
- "gamma": [0.0,0.0,2.8,1.8,1.5,0.8,1.3],
- "epsilon": [0.0,0.0,0.0,2.0,-0.25,1.85,0.3],
- "Npower": 2
+ "type": "Gaussian+Exponential",
+ "n": [-2.00211,3.0813,-1.75352,2.9816,-3.82588,-1.7385,0.42008],
+ "t": [0.25,2.0,0.5,2.0,1.0,4.0,1.0],
+ "d": [1.0,1.0,1.0,1.0,1.0,1.0,3.0],
+ "l": [2.0,1.0,0.0,0.0,0.0,0.0,0.0],
+ "eta": [0.0,0.0,0.0,0.746,4.25,0.7,3.0],
+ "beta": [0.0,0.0,0.27,0.86,3.0,0.5,4.0],
+ "gamma": [0.0,0.0,2.8,1.8,1.5,0.8,1.3],
+ "epsilon": [0.0,0.0,0.0,2.0,-0.25,1.85,0.3],
+ "Npower": 2
}
}
}
})";
- auto mutant = build_multifluid_mutant(model, nlohmann::json::parse(s));
-
- double T0 = model.redfunc.Tc[0];
- auto rhovec0 = (Eigen::ArrayXd(2) << 1/model.redfunc.vc[0], 0).finished();
- auto der0 = CriticalTracing<decltype(mutant)>::get_drhovec_dT_crit(mutant, T0, rhovec0);
-
- auto prc0 = IsochoricDerivatives<decltype(mutant)>::get_pr(mutant, T0, rhovec0);
- auto pig0 = rhovec0.sum() * mutant.R(rhovec0 / rhovec0.sum()) * T0;
+ auto mutant = build_multifluid_mutant(model, nlohmann::json::parse(s));
+
+ double T0 = model.redfunc.Tc[0];
+ auto rhovec0 = (Eigen::ArrayXd(2) << 1/model.redfunc.vc[0], 0).finished();
+ auto der0 = CriticalTracing<decltype(mutant)>::get_drhovec_dT_crit(mutant, T0, rhovec0);
+
+ auto prc0 = IsochoricDerivatives<decltype(mutant)>::get_pr(mutant, T0, rhovec0);
+ auto pig0 = rhovec0.sum() * mutant.R(rhovec0 / rhovec0.sum()) * T0;
- TCABOptions opt; opt.polish = true; opt.integration_order = 1; opt.init_dt = 100; opt.verbosity = 1000;
+ TCABOptions opt; opt.polish = true; opt.integration_order = 1; opt.init_dt = 100; opt.verbosity = 1000;
- CriticalTracing<decltype(mutant)>::trace_critical_arclength_binary(mutant, T0, rhovec0, "BellREFPROP10_NH3.csv", opt);
+ CriticalTracing<decltype(mutant)>::trace_critical_arclength_binary(mutant, T0, rhovec0, "BellREFPROP10_NH3.csv", opt);
}
\ No newline at end of file
diff --git a/src/tests/catch_test_mutant.cxx b/src/tests/catch_test_mutant.cxx
index 6f4498eefb336aaf5d4ed83d98bc5901dd12daf4..bc8faf8c8eacf5ef1241ec7cf28b7be37ec11fdc 100644
--- a/src/tests/catch_test_mutant.cxx
+++ b/src/tests/catch_test_mutant.cxx
@@ -12,10 +12,10 @@ using namespace teqp;
TEST_CASE("Test construction of mutant", "[mutant]")
{
- std::string coolprop_root = "../mycp";
- auto BIPcollection = coolprop_root + "/dev/mixtures/mixture_binary_pairs.json";
+ std::string coolprop_root = "../mycp";
+ auto BIPcollection = coolprop_root + "/dev/mixtures/mixture_binary_pairs.json";
- auto model = build_multifluid_model({ "Nitrogen", "Ethane" }, coolprop_root, BIPcollection);
+ auto model = build_multifluid_model({ "Nitrogen", "Ethane" }, coolprop_root, BIPcollection);
std::string s0 = R"({"0": {} })";
nlohmann::json j0 = nlohmann::json::parse(s0);
@@ -36,7 +36,7 @@ TEST_CASE("Test construction of mutant", "[mutant]")
}
}
})";
- nlohmann::json j = nlohmann::json::parse(s);
+ nlohmann::json j = nlohmann::json::parse(s);
auto mutant = build_multifluid_mutant(model, j);
double T = 300, rho = 300;