Fix path input interfaces (db8a2072) · Commits · NEAMS / saline

src/cpp/default_data_store.cc

+6 −1

Original line number	Diff line number	Diff line
		@@ -40,7 +40,12 @@ Default_Data_Store::Default_Data_Store()
		void Default_Data_Store::load(const std::string& fPath)
		{
		std::ifstream inFile(fPath.data());
		if(inFile.is_open())
		{
		load(inFile);
		}else{
		throw std::runtime_error("Falied to open input file");
		}
		}

		//---------------------------------------------------------------------------//

src/cpp/r_kister_data_store.cc

+9 −6

Original line number	Diff line number	Diff line
		@@ -42,8 +42,16 @@ void R_Kister_Data_Store::load(const std::string& rkfPath, const std::string& df
		//Set up a default data store
		d = Default_Data_Store();
		std::ifstream inFile(dfPath.data());
		if(!inFile.is_open())
		{
		throw std::runtime_error("Falied to open input data file.");
		}

		std::ifstream rkinFile(rkfPath.data());
		if(!rkinFile.is_open())
		{
		throw std::runtime_error("Falied to open input RK data file.");
		}
		load(rkinFile,inFile);

		}
		@@ -69,14 +77,9 @@ void R_Kister_Data_Store::load(std::istream& rkinFile,std::istream& inFile)

		// Jaunt through lines until we find the Redlich-Kister parameters
		std::string line;
		while( std::getline(rkinFile,line) )
		{
		if( line.find("RK parameters") != std::string::npos ) break;
		}
		// Its possible we could have a bum input. That should break here.

		// this is a comment line
		std::getline(rkinFile,line);
		std::getline(rkinFile,line);

		// Read the input data. TODO currently only uses density
		while( std::getline(rkinFile,line))

tests/tstdefault_data_store.cc

+78 −0

Original line number	Diff line number	Diff line
		@@ -370,3 +370,81 @@ TEST(default_data, FLiNaK_465_115_042)
		tp.setComposition({"LiF","BeF2","ThF4"},{0.6998,0.1499,0.1503});
		ASSERT_FALSE(tp.valid_mu());
		}
		TEST(default_data, full_load)
		{
		Default_Data_Store d; d.load("/home/oxh/dev/mstdb-tp/Molten_Salt_Thermophysical_Properties.csv");
		Thermophysical_Properties tp;
		ASSERT_TRUE(tp.initialize(&d));
		// Ensure that the composition set correctly
		ASSERT_TRUE(tp.setComposition({"LiF","NaF","KF"},{0.465,0.115,0.42}));

		// Test Density
		std::vector<double> tks = {700.0, 750.0, 800.0, 850.0, 860.0, 1000.0};
		// Expected calculated values (note these have been rounded)
		std::vector<double> rho_calc_ref = {2.1425,2.1113,2.0801,2.04890,2.04266,1.9553};
		for( size_t i = 0; i < tks.size(); ++i)
		{
		double t_k = tks[i];
		EXPECT_NEAR(rho_calc_ref[i], tp.rho(t_k), 1e-3);
		}
		EXPECT_NEAR(tp.rho_h(tp.h_t(900)), tp.rho(900), 1e-4);
		EXPECT_FLOAT_EQ(tp.rho(900)*1000.0,tp.rho_kgm3(900));
		tks.clear();

		// Test Heat Capacity
		// Using values from reference https://doi.org/10.1021/je00029a041
		tks = {700.0, 750.0, 800.0, 850.0, 860.0, 1000.0};
		// Expected calculated values (note these have been rounded)
		std::vector<double> cp_calc_ref = {71.0316, 73.2255, 75.4194, 77.6133, 78.0521, 84.195};

		for( size_t i = 0; i < tks.size(); ++i)
		{
		double t_k = tks[i];
		EXPECT_NEAR(cp_calc_ref[i], tp.cp(t_k), 6e-3);
		}
		EXPECT_FLOAT_EQ(tp.cp(900)*(1000.0/41.2909),tp.cp_kg(900));
		EXPECT_NEAR(tp.cp_h(tp.h_t(1200)), tp.cp(1200), 4e-2);
		tks.clear();

		// Test Viscosity
		// Using values from reference https://doi.org/10.1021/je60084a007
		tks = {700.0, 822.45, 872.65, 973.45, 922.95, 770.15, 1000.0};
		// Expected calculated value
		std::vector<double> mu_calc_ref = {17.9814 , 5.6296, 4.0862, 2.5436, 3.1494, 8.5459, 2.3095};

		for( size_t i = 0; i < tks.size(); ++i)
		{
		double t_k = tks[i];
		EXPECT_NEAR(mu_calc_ref[i], tp.mu(t_k), 5e-2);
		}
		tks.clear();

		EXPECT_NEAR(tp.mu_h(tp.h_t(900)), tp.mu(900), 6e-4);

		// Test Thermal Conductivity
		// Using values from reference https://doi.org/10.1016/j.ijheatmasstransfer.2015.07.042
		tks = {700.0, 773.0, 823.0, 873.0, 923.0, 973.0, 1000.0};
		// Expected calculated value
		std::vector<double> k_calc_ref = {0.56, 0.6549, 0.7199, 0.7849, 0.8499, 0.9149, 0.95};

		for( size_t i = 0; i < tks.size(); ++i)
		{
		double t_k = tks[i];
		EXPECT_NEAR(k_calc_ref[i], tp.k(t_k), 5e-4);
		}
		EXPECT_NEAR(tp.k_h(tp.h_t(970)), tp.k(970), 1e-4);

		// Test temperature to enthalpy conversion
		EXPECT_NEAR(748.77152178380845, tp.t_h(1000), 1e-6);
		EXPECT_NEAR(tp.t_h(tp.h_t(970)),970,5e-2);
		EXPECT_NEAR(tp.t_h_kg(tp.h_t_kg(970)),970,5e-2);

		// Set an incomplete data sets to test validity functions
		tp.setComposition({"LiF","BeF2","ThF4"},{0.727,0.157,0.116});
		ASSERT_FALSE(tp.valid_rho());
		ASSERT_FALSE(tp.valid_k());
		ASSERT_FALSE(tp.valid_cp());
		ASSERT_TRUE(tp.valid_mu());
		tp.setComposition({"LiF","BeF2","ThF4"},{0.6998,0.1499,0.1503});
		ASSERT_FALSE(tp.valid_mu());
		}

tests/tstrk_data_store.cc

+38 −2

Original line number	Diff line number	Diff line
		@@ -27,8 +27,7 @@ LiF-BeF2-ThF4 , 11 , 71.4958 , 0.6998-0.1499-0.1503 , 816.60 , 0.00 , Cantor
		LiF-BeF2-ThF4 , 12 , 61.9697 , 0.727-0.157-0.116 , 826.20 , 0.00 , Cantor1973 , 0.0 , 0.0 , ---- , 0.0 , 0.0 , 0.0-0.0 , 0.0 , ---- , 1.094E-01 , 3.402E+04 , 0.000E+00 , 0.000E+00 , 0.000E+00 , 826-946 , 15.00 , Cantor1973 , 0.000E+00 , 0.000E+00 , 0.0-0.0 , 0.0 , ---- , 0.000E+00 , 0.000E+00 , 0.000E+00 , 0.000E+00 , 0.0 , ----
		)ORNL_format";

		static const char* tst_data_rk = R"ORNL_format(
		//RK parameters
		static const char* tst_data_rk = R"ORNL_format(//
		//C 1 , C 2 , A1 , B1 , A2 , B2 , A3 , B3 , T min , T max , Reference
		KF , LiF , -5.383100E-03 , -4.142700E-05 , +0.000000E+00 , +0.000000E+00 , 0.000000E+00 , 0.000000E+00 , 1.006150E+03 , 1.314150E+03 , 'Taniuchi, K.; Kanai, T. Density of Binary Molten Salts of Lithium Fluoride-Potassium Fluoride and Lithium Fluoride-Calcium Fluoride Systems. Denki Kagaku oyobi Kogyo Butsuri Kagaku 1977, 45 (6), 401-404. https://doi.org/10.5796/kogyobutsurikagaku.45.401'
		KF , NaF , -3.747500E-01 , +2.354000E-04 , +0.000000E+00 , +0.000000E+00 , 0.000000E+00 , 0.000000E+00 , 1.050000E+03 , 1.350000E+03 , 'Porter, B., and Meaker, R. E., United States Department of the Interior, Report of Investigations 6838, 1966.'
		@@ -115,5 +114,42 @@ TEST(rk_data_store,input_order)
		ASSERT_FALSE(tp_rk.valid_k());
		ASSERT_FALSE(tp_rk.valid_cp());
		ASSERT_FALSE(tp_rk.valid_mu());
		}

		TEST(rk_data_store,full_load)
		{
		// Set up the interpolation object
		R_Kister_Data_Store rk_DS; rk_DS.load("/home/oxh/dev/mstdb-tp/Molten_Salt_Thermophysical_Properties_RK.csv","/home/oxh/dev/mstdb-tp/Molten_Salt_Thermophysical_Properties.csv");
		Thermophysical_Properties tp_rk;
		ASSERT_TRUE(tp_rk.initialize(&rk_DS));

		std::vector<double> tks = {1080,1130,1180,1230};
		tp_rk.setComposition({"LiF","NaF","KF"},{0.465,0.115,0.42});
		std::vector<double> ref(tks.size());
		for( size_t i = 0; i < tks.size(); ++i)
		{
		double t_k = tks[i];
		ref[i] = tp_rk.rho(t_k);
		}

		tp_rk.setComposition({"NaF","LiF","KF"},{0.115,0.465,0.42});
		for( size_t i = 0; i < tks.size(); ++i)
		{
		double t_k = tks[i];
		EXPECT_NEAR(tp_rk.rho(t_k),ref[i],1e-6);
		}

		tp_rk.setComposition({"KF","NaF","LiF"},{0.42,0.115,0.465});
		for( size_t i = 0; i < tks.size(); ++i)
		{
		double t_k = tks[i];
		EXPECT_NEAR(tp_rk.rho(t_k),ref[i],1e-6);
		}

		// Set an incomplete data sets to test validity functions
		tp_rk.setComposition({"LiF","UF3","ZrF4"},{0.80,0.07,0.13});
		ASSERT_FALSE(tp_rk.valid_rho());
		ASSERT_FALSE(tp_rk.valid_k());
		ASSERT_FALSE(tp_rk.valid_cp());
		ASSERT_FALSE(tp_rk.valid_mu());
		}