#include "catch/catch.hpp" #include "teqp/models/multifluid.hpp" #include "teqp/algorithms/critical_tracing.hpp" #include "teqp/filesystem.hpp" using namespace teqp; TEST_CASE("Confirm failure for missing files","[multifluid]") { CHECK_THROWS(build_multifluid_model({ "BADFLUID" }, "IMPOSSIBLE PATH", "IMPOSSIBLE PATH.json")); CHECK_THROWS(build_multifluid_model({ "BADFLUID" }, "IMPOSSIBLE PATH", "../mycp/dev/mixtures/mixture_binary_pairs.json")); CHECK_THROWS(build_multifluid_model({ "Ethane" }, "IMPOSSIBLE PATH")); } TEST_CASE("Trace critical locus for nitrogen + ethane", "[crit],[multifluid]") { std::string root = "../mycp"; const auto model = build_multifluid_model({ "Nitrogen", "Ethane" }, root); for (auto ifluid = 0; ifluid < 2; ++ifluid) { double T0 = model.redfunc.Tc[ifluid]; Eigen::ArrayXd rhovec0(2); rhovec0 = 0.0; rhovec0[ifluid] = 1.0 / model.redfunc.vc[ifluid]; auto tic0 = std::chrono::steady_clock::now(); std::string filename = ""; using ct = CriticalTracing<decltype(model), double, Eigen::ArrayXd>; TCABOptions opt; opt.init_dt = 100; opt.integration_order = 1; auto j = ct::trace_critical_arclength_binary(model, T0, rhovec0, filename, opt); CHECK(j.size() > 3); auto tic1 = std::chrono::steady_clock::now(); } for (auto ifluid = 0; ifluid < 2; ++ifluid) { double T0 = model.redfunc.Tc[ifluid]; Eigen::ArrayXd rhovec0(2); rhovec0 = 0.0; rhovec0[ifluid] = 1.0 / model.redfunc.vc[ifluid]; auto tic0 = std::chrono::steady_clock::now(); std::string filename = ""; using ct = CriticalTracing<decltype(model), double, Eigen::ArrayXd>; TCABOptions opt; opt.max_dt = 10000; opt.init_dt = 10; opt.abs_err = 1e-8; opt.rel_err = 1e-6; opt.small_T_count = 100; auto j = ct::trace_critical_arclength_binary(model, T0, rhovec0, filename, opt); CHECK(j.size() > 3); auto tic1 = std::chrono::steady_clock::now(); } } TEST_CASE("Check that all pure fluid models can be instantiated", "[multifluid],[all]"){ std::string root = "../mycp"; SECTION("With absolute paths to json file") { int counter = 0; for (auto path : get_files_in_folder(root + "/dev/fluids", ".json")) { if (path.filename().stem() == "Methanol") { continue; } CAPTURE(path.string()); auto abspath = std::filesystem::absolute(path).string(); auto model = build_multifluid_model({ abspath }, root, root + "/dev/mixtures/mixture_binary_pairs.json"); std::valarray<double> z(0.0, 1); model.alphar(300, 1.0, z); counter += 1; } CHECK(counter > 100); } SECTION("With filename stems") { for (auto path : get_files_in_folder(root + "/dev/fluids", ".json")) { auto stem = path.filename().stem().string(); // filename without the .json if (stem == "Methanol") { continue; } auto model = build_multifluid_model({ stem }, root, root + "/dev/mixtures/mixture_binary_pairs.json"); std::valarray<double> z(0.0, 1); model.alphar(300, 1.0, z); } } } TEST_CASE("Check that mixtures can also do absolute paths", "[multifluid],[abspath]") { std::string root = "../mycp"; SECTION("With absolute paths to json file") { std::vector<std::filesystem::path> paths = { root + "/dev/fluids/Methane.json", root + "/dev/fluids/Ethane.json" }; std::vector<std::string> abspaths; for (auto p : paths) { abspaths.emplace_back(std::filesystem::absolute(p).string()); } auto model = build_multifluid_model(abspaths, root, root + "/dev/mixtures/mixture_binary_pairs.json"); auto model2 = build_multifluid_model(abspaths, root); // default path for BIP } } TEST_CASE("Check mixing absolute and relative paths and fluid names", "[multifluid],[abspath]") { std::string root = "../mycp"; SECTION("With correct name of fluid") { std::vector<std::string> paths = { std::filesystem::absolute(root + "/dev/fluids/Methane.json").string(), "Ethane" }; auto model = build_multifluid_model(paths, root, root + "/dev/mixtures/mixture_binary_pairs.json"); } SECTION("Needing a reverse lookup for one fluid") { std::vector<std::string> paths = { std::filesystem::absolute(root + "/dev/fluids/Methane.json").string(), "PROPANE" }; auto model = build_multifluid_model(paths, root, root + "/dev/mixtures/mixture_binary_pairs.json"); } } TEST_CASE("Check that all binary pairs specified in the binary pair file can be instantiated", "[multifluid],[binaries]") { std::string root = "../mycp"; REQUIRE_NOTHROW(build_alias_map(root)); auto amap = build_alias_map(root); for (auto el : load_a_JSON_file(root + "/dev/mixtures/mixture_binary_pairs.json")) { auto is_unsupported = [](const auto& s) { return (s == "METHANOL" || s == "R1216" || s == "C14" || s == "IOCTANE" || s == "C4F10" || s == "C5F12" || s == "C1CC6" || s == "C3CC6" || s == "CHLORINE" || s == "RE347MCC"); }; if (is_unsupported(el["Name1"]) || is_unsupported(el["Name2"])) { continue; } CAPTURE(el["Name1"]); CAPTURE(el["Name2"]); CHECK_NOTHROW(build_multifluid_model({ amap[el["Name1"]], amap[el["Name2"]] }, root)); // default path for BIP } } TEST_CASE("Check that all pure fluid models can be evaluated at zero density", "[multifluid],[all],[virial]") { std::string root = "../mycp"; SECTION("With filename stems") { for (auto path : get_files_in_folder(root + "/dev/fluids", ".json")) { auto stem = path.filename().stem().string(); // filename without the .json if (stem == "Methanol") { continue; } auto model = build_multifluid_model({ stem }, root); std::valarray<double> z(1.0, 1); using tdx = TDXDerivatives<decltype(model), double, decltype(z) >; auto ders = tdx::template get_Ar0n<4>(model, model.redfunc.Tc[0], 0.0, z); CAPTURE(stem); CHECK(std::isfinite(ders[1])); using vd = VirialDerivatives<decltype(model),double, decltype(z)>; auto Bn = vd::get_Bnvir<4>(model, model.redfunc.Tc[0], z); CAPTURE(stem); CHECK(std::isfinite(Bn[2])); } } }