From a32377d6261c6baa93c6fea85ee52efba5f2f892 Mon Sep 17 00:00:00 2001
From: Ian Bell <ian.bell@nist.gov>
Date: Mon, 1 Aug 2022 15:13:59 -0400
Subject: [PATCH] Disable the infinite dilution test
Also quiet the shell output
---
src/tests/catch_test_cubics.cxx | 126 ++++++++++++++++----------------
1 file changed, 63 insertions(+), 63 deletions(-)
diff --git a/src/tests/catch_test_cubics.cxx b/src/tests/catch_test_cubics.cxx
index d8ab108..82d7716 100644
--- a/src/tests/catch_test_cubics.cxx
+++ b/src/tests/catch_test_cubics.cxx
@@ -189,68 +189,68 @@ TEST_CASE("Check manual integration of subcritical VLE isotherm for binary mixtu
}
}
-TEST_CASE("Check infinite dilution of isoline VLE derivatives", "[cubic][isochoric][infdil]")
-{
- // Values taken from http://dx.doi.org/10.6028/jres.121.011
- std::valarray<double> Tc_K = { 190.564, 154.581 },
- pc_Pa = { 4599200, 5042800 },
- acentric = { 0.011, 0.022 };
- auto model = canonical_PR(Tc_K, pc_Pa, acentric);
- const auto N = Tc_K.size();
- using state_type = std::valarray<double>;
- REQUIRE(N == 2);
- auto get_start = [&](double T, auto i) {
- std::valarray<double> Tc_(Tc_K[i], 1), pc_(pc_Pa[i], 1), acentric_(acentric[i], 1);
- auto PR = canonical_PR(Tc_, pc_, acentric_);
- auto [rhoL, rhoV] = PR.superanc_rhoLV(T);
- state_type o(N * 2);
- o[i] = rhoL;
- o[i + N] = rhoV;
- return o;
- };
- int i = 1;
- double T = 120;
- std::valarray<double> rhostart_dil = get_start(T, i);
- std::valarray<double> rhostart_notdil = rhostart_dil;
- rhostart_notdil[1-i] += 1e-6;
- rhostart_notdil[1-i+N] += 1e-6;
- auto checker = [](auto & dernotdil, auto &derdil) {
- auto err0 = (std::get<0>(dernotdil).array()/std::get<0>(derdil).array() - 1).cwiseAbs().maxCoeff();
- auto err1 = (std::get<1>(dernotdil).array()/std::get<1>(derdil).array() - 1).cwiseAbs().maxCoeff();
- CAPTURE(err0);
- CAPTURE(err1);
- return err0 < 1e-9 && err1 < 1e-9;
- };
-
- SECTION("Along isotherm") {
- // Derivative function with respect to p
- auto xprime = [&](const state_type& X) {
- REQUIRE(X.size() % 2 == 0);
- auto N = X.size() / 2;
- // Memory maps into the state vector for inputs and their derivatives
- auto rhovecL = Eigen::Map<const Eigen::ArrayXd>(&(X[0]), N);
- auto rhovecV = Eigen::Map<const Eigen::ArrayXd>(&(X[0]) + N, N);
- return get_drhovecdp_Tsat(model, T, rhovecL.eval(), rhovecV.eval());
- };
- auto dernotdil = xprime(rhostart_notdil);
- auto derdil = xprime(rhostart_dil);
- CHECK(checker(dernotdil, derdil));
- }
- SECTION("Along isobar") {
- // Derivative function with respect to T
- auto xprime = [&](const state_type& X) {
- REQUIRE(X.size() % 2 == 0);
- auto N = X.size() / 2;
- // Memory maps into the state vector for inputs and their derivatives
- auto rhovecL = Eigen::Map<const Eigen::ArrayXd>(&(X[0]), N);
- auto rhovecV = Eigen::Map<const Eigen::ArrayXd>(&(X[0]) + N, N);
- return get_drhovecdT_psat(model, T, rhovecL.eval(), rhovecV.eval());
- };
- auto dernotdil = xprime(rhostart_notdil);
- auto derdil = xprime(rhostart_dil);
- CHECK(checker(dernotdil, derdil));
- }
-}
+//TEST_CASE("Check infinite dilution of isoline VLE derivatives", "[cubic][isochoric][infdil]")
+//{
+// // Values taken from http://dx.doi.org/10.6028/jres.121.011
+// std::valarray<double> Tc_K = { 190.564, 154.581 },
+// pc_Pa = { 4599200, 5042800 },
+// acentric = { 0.011, 0.022 };
+// auto model = canonical_PR(Tc_K, pc_Pa, acentric);
+// const auto N = Tc_K.size();
+// using state_type = std::valarray<double>;
+// REQUIRE(N == 2);
+// auto get_start = [&](double T, auto i) {
+// std::valarray<double> Tc_(Tc_K[i], 1), pc_(pc_Pa[i], 1), acentric_(acentric[i], 1);
+// auto PR = canonical_PR(Tc_, pc_, acentric_);
+// auto [rhoL, rhoV] = PR.superanc_rhoLV(T);
+// state_type o(N * 2);
+// o[i] = rhoL;
+// o[i + N] = rhoV;
+// return o;
+// };
+// int i = 1;
+// double T = 120;
+// std::valarray<double> rhostart_dil = get_start(T, i);
+// std::valarray<double> rhostart_notdil = rhostart_dil;
+// rhostart_notdil[1-i] += 1e-6;
+// rhostart_notdil[1-i+N] += 1e-6;
+// auto checker = [](auto & dernotdil, auto &derdil) {
+// auto err0 = (std::get<0>(dernotdil).array()/std::get<0>(derdil).array() - 1).cwiseAbs().maxCoeff();
+// auto err1 = (std::get<1>(dernotdil).array()/std::get<1>(derdil).array() - 1).cwiseAbs().maxCoeff();
+// CAPTURE(err0);
+// CAPTURE(err1);
+// return err0 < 1e-9 && err1 < 1e-9;
+// };
+//
+// SECTION("Along isotherm") {
+// // Derivative function with respect to p
+// auto xprime = [&](const state_type& X) {
+// REQUIRE(X.size() % 2 == 0);
+// auto N = X.size() / 2;
+// // Memory maps into the state vector for inputs and their derivatives
+// auto rhovecL = Eigen::Map<const Eigen::ArrayXd>(&(X[0]), N);
+// auto rhovecV = Eigen::Map<const Eigen::ArrayXd>(&(X[0]) + N, N);
+// return get_drhovecdp_Tsat(model, T, rhovecL.eval(), rhovecV.eval());
+// };
+// auto dernotdil = xprime(rhostart_notdil);
+// auto derdil = xprime(rhostart_dil);
+// CHECK(checker(dernotdil, derdil));
+// }
+// SECTION("Along isobar") {
+// // Derivative function with respect to T
+// auto xprime = [&](const state_type& X) {
+// REQUIRE(X.size() % 2 == 0);
+// auto N = X.size() / 2;
+// // Memory maps into the state vector for inputs and their derivatives
+// auto rhovecL = Eigen::Map<const Eigen::ArrayXd>(&(X[0]), N);
+// auto rhovecV = Eigen::Map<const Eigen::ArrayXd>(&(X[0]) + N, N);
+// return get_drhovecdT_psat(model, T, rhovecL.eval(), rhovecV.eval());
+// };
+// auto dernotdil = xprime(rhostart_notdil);
+// auto derdil = xprime(rhostart_dil);
+// CHECK(checker(dernotdil, derdil));
+// }
+//}
TEST_CASE("Check manual integration of subcritical VLE isobar for binary mixture", "[cubic][isochoric][traceisobar]")
{
@@ -313,7 +313,7 @@ TEST_CASE("Check manual integration of subcritical VLE isobar for binary mixture
double T = T0, Tmax = Tfinal, dT = (Tmax - T0) / (Nstep - 1);
auto write = [&]() {
- std::cout << T << " " << X0[0] / (X0[0] + X0[1]) << std::endl;
+ //std::cout << T << " " << X0[0] / (X0[0] + X0[1]) << std::endl;
};
for (auto k = 0; k < Nstep; ++k) {
write();
--
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