pyEQL 1.4.0rc9__cp312-cp312-win_amd64.whl

pyEQL/phreeqc/ext/iphreeqc-3.8.6-17100/gtest/TestIPhreeqc.cpp

@@ -0,0 +1,4901 @@
+#include <gtest/gtest.h>
+#include <gmock/gmock.h>
+
+#include <cmath>
+#include <cfloat>
+#include <cassert>
+#include "IPhreeqc.hpp"
+#include "Phreeqc.h"
+#include "FileTest.h"
+#undef true
+#undef false
+#include "CVar.hxx"
+
+using ::testing::HasSubstr;
+
+VRESULT SOLUTION(IPhreeqc& obj, double C, double Ca, double Na);
+VRESULT EQUILIBRIUM_PHASES(IPhreeqc& obj, const char* phase, double si, double amount);
+VRESULT USER_PUNCH(IPhreeqc& obj, const char* element, int max);
+VRESULT SELECTED_OUTPUT(IPhreeqc& obj);
+VRESULT DUMP(IPhreeqc& obj);
+
+void TestFileOnOff(const char* FILENAME_FORMAT, bool output_file_on, bool error_file_on, bool log_file_on, bool selected_output_file_on, bool dump_file_on);
+
+TEST(TestIPhreeqc, TestLoadDatabase)
+{
+	std::string FILES[] = { "phreeqc.dat", "pitzer.dat", "wateq4f.dat",
+		"Amm.dat", "frezchem.dat", "iso.dat",
+		"llnl.dat", "minteq.dat", "minteq.v4.dat",
+		"sit.dat","ColdChem.dat","core10.dat",
+		"Tipping_Hurley.dat"
+	};
+
+	for (int j = 0; j < sizeof(FILES) / sizeof(std::string); ++j)
+	{
+		IPhreeqc obj;
+		for (int i = 0; i < 10; ++i)
+		{
+			ASSERT_EQ(true, ::FileExists(FILES[j].c_str()));
+			ASSERT_TRUE(::FileSize(FILES[j].c_str()) > 0);
+			ASSERT_EQ(0, obj.LoadDatabase(FILES[j].c_str()));
+		}
+
+		// make sure settings are cleared
+		//
+
+		IPhreeqc obj2;
+		for (int i = 0; i < 10; ++i)
+		{
+			ASSERT_EQ(false, obj2.GetSelectedOutputFileOn());
+
+			obj2.SetSelectedOutputFileOn(true);
+			ASSERT_EQ(true, obj2.GetSelectedOutputFileOn());
+
+			obj2.SetSelectedOutputFileOn(true);
+			ASSERT_EQ(true, obj2.GetSelectedOutputFileOn());
+
+			ASSERT_EQ(true, ::FileExists(FILES[j].c_str()));
+			ASSERT_TRUE(::FileSize(FILES[j].c_str()) > 0);
+			ASSERT_EQ(0, obj2.LoadDatabase(FILES[j].c_str()));
+
+			// all previous definitions are cleared
+			ASSERT_EQ(false, obj2.GetSelectedOutputFileOn());
+		}
+	}
+}
+
+TEST(TestIPhreeqc, TestLoadDatabaseString)
+{
+	const char ex15_dat[] =
+		"SOLUTION_MASTER_SPECIES\n"
+		"C        CO2            2.0     61.0173         12.0111\n"
+		"Cl       Cl-            0.0     Cl              35.453\n"
+		"Co       Co+2           0.0     58.93           58.93   \n"
+		"E        e-             0.0     0.0             0.0\n"
+		"H        H+             -1.     1.008           1.008\n"
+		"H(0)     H2             0.0     1.008\n"
+		"H(1)     H+             -1.     1.008\n"
+		"N        NH4+           0.0     14.0067         14.0067\n"
+		"Na       Na+            0.0     Na              22.9898\n"
+		"Nta      Nta-3          3.0     1.              1.\n"
+		"O        H2O            0.0     16.00           16.00\n"
+		"O(-2)    H2O            0.0     18.016\n"
+		"O(0)     O2             0.0     16.00\n"
+		"SOLUTION_SPECIES\n"
+		"2H2O = O2 + 4H+ + 4e- \n"
+		"        log_k   -86.08; -gamma  1e7   0.0\n"
+		"2 H+ + 2 e- = H2\n"
+		"        log_k   -3.15;  -gamma  1e7   0.0\n"
+		"H+ = H+\n"
+		"        log_k   0.0;    -gamma  1e7   0.0\n"
+		"e- = e-\n"
+		"        log_k   0.0;    -gamma  1e7   0.0\n"
+		"H2O = H2O\n"
+		"        log_k   0.0;    -gamma  1e7   0.0\n"
+		"CO2 = CO2\n"
+		"        log_k   0.0;    -gamma  1e7   0.0\n"
+		"Na+ = Na+\n"
+		"        log_k   0.0;    -gamma  1e7   0.0\n"
+		"Cl- = Cl-\n"
+		"        log_k   0.0;    -gamma  1e7   0.0\n"
+		"Co+2 = Co+2\n"
+		"        log_k   0.0;    -gamma  1e7   0.0\n"
+		"NH4+ = NH4+\n"
+		"        log_k   0.0;    -gamma  1e7   0.0\n"
+		"Nta-3 = Nta-3\n"
+		"        log_k   0.0;    -gamma  1e7   0.0\n"
+		"Nta-3 + 3H+ = H3Nta\n"
+		"        log_k   14.9;   -gamma  1e7   0.0\n"
+		"Nta-3 + 2H+ = H2Nta-\n"
+		"        log_k   13.3;   -gamma  1e7   0.0\n"
+		"Nta-3 + H+ = HNta-2\n"
+		"        log_k   10.3;   -gamma  1e7   0.0\n"
+		"Nta-3 + Co+2 = CoNta-\n"
+		"        log_k   11.7;   -gamma  1e7   0.0\n"
+		"2 Nta-3 + Co+2 = CoNta2-4\n"
+		"        log_k   14.5;   -gamma  1e7   0.0\n"
+		"Nta-3 + Co+2 + H2O = CoOHNta-2 + H+\n"
+		"        log_k   0.5;    -gamma  1e7   0.0\n"
+		"Co+2 + H2O = CoOH+ + H+\n"
+		"        log_k   -9.7;   -gamma  1e7   0.0\n"
+		"Co+2 + 2H2O = Co(OH)2 + 2H+\n"
+		"        log_k   -22.9;  -gamma  1e7   0.0\n"
+		"Co+2 + 3H2O = Co(OH)3- + 3H+\n"
+		"        log_k   -31.5;  -gamma  1e7   0.0\n"
+		"CO2 + H2O = HCO3- + H+\n"
+		"        log_k   -6.35;  -gamma  1e7   0.0\n"
+		"CO2 + H2O = CO3-2 + 2H+\n"
+		"        log_k   -16.68; -gamma  1e7   0.0\n"
+		"NH4+ = NH3 + H+\n"
+		"        log_k   -9.3;   -gamma  1e7   0.0\n"
+		"H2O = OH- +  H+\n"
+		"        log_k   -14.0;  -gamma  1e7   0.0\n"
+		"END\n";
+
+	IPhreeqc obj;
+	ASSERT_EQ(0, obj.LoadDatabaseString(ex15_dat));
+}
+
+TEST(TestIPhreeqc, TestLoadDatabaseStringBadInput)
+{
+	IPhreeqc obj;
+
+	for (int i = 0; i < 10; ++i)
+	{
+		ASSERT_TRUE(0 != obj.LoadDatabaseString("phreeqc.dat.list"));
+	}
+}
+
+TEST(TestIPhreeqc, TestLoadDatabaseEx14AsDB)
+{
+	const char ex14[] =
+		"TITLE Example 14.--Transport with equilibrium_phases, exchange, and surface reactions\n"
+		"#\n"
+		"# Use phreeqc.dat\n"
+		"# Dzombak and Morel (1990) aqueous and surface complexation models for arsenic\n"
+		"# are defined here\n"
+		"#\n"
+		"SURFACE_MASTER_SPECIES\n"
+		"        Surf    SurfOH\n"
+		"SURFACE_SPECIES\n"
+		"        SurfOH = SurfOH\n"
+		"                log_k   0.0\n"
+		"        SurfOH  + H+ = SurfOH2+\n"
+		"                log_k   7.29\n"
+		"        SurfOH = SurfO- + H+\n"
+		"                log_k   -8.93\n"
+		"        SurfOH + AsO4-3 + 3H+ = SurfH2AsO4 + H2O\n"
+		"                log_k   29.31\n"
+		"        SurfOH + AsO4-3 + 2H+ = SurfHAsO4- + H2O\n"
+		"                log_k   23.51\n"
+		"        SurfOH + AsO4-3 = SurfOHAsO4-3\n"
+		"                log_k   10.58\n"
+		"SOLUTION_MASTER_SPECIES\n"
+		"        As       H3AsO4        -1.0     74.9216    74.9216\n"
+		"SOLUTION_SPECIES\n"
+		"        H3AsO4 = H3AsO4\n"
+		"                log_k           0.0\n"
+		"        H3AsO4 = AsO4-3 + 3H+\n"
+		"                log_k   -20.7\n"
+		"        H+ + AsO4-3 = HAsO4-2\n"
+		"                log_k   11.50\n"
+		"        2H+ + AsO4-3 = H2AsO4-\n"
+		"                log_k           18.46\n"
+		"SOLUTION 1 Brine\n"
+		"        pH      5.713\n"
+		"        pe      4.0     O2(g)   -0.7\n"
+		"        temp    25.\n"
+		"        units   mol/kgw\n"
+		"        Ca      .4655\n"
+		"        Mg      .1609\n"
+		"        Na      5.402\n"
+		"        Cl      6.642           charge\n"
+		"        C       .00396\n"
+		"        S       .004725\n"
+		"        As      .025 umol/kgw\n"
+		"END\n"
+		"USE solution 1\n"
+		"EQUILIBRIUM_PHASES 1\n"
+		"        Dolomite        0.0     1.6\n"
+		"        Calcite         0.0     0.1\n"
+		"SAVE solution 1\n"
+		"# prints initial condition to the selected-output file\n"
+		"SELECTED_OUTPUT\n"
+		"        -file ex14.sel\n"
+		"        -reset false\n"
+		"        -step\n"
+		"USER_PUNCH\n"
+		"        -head  m_Ca m_Mg m_Na umol_As pH mmol_sorbedAs\n"
+		"  10 PUNCH TOT(\"Ca\"), TOT(\"Mg\"), TOT(\"Na\"), TOT(\"As\")*1e6, -LA(\"H+\"), SURF(\"As\", \"Surf\")*1000\n"
+		"END\n"
+		"PRINT\n"
+		"# skips print of initial exchange and initial surface to the selected-output file\n"
+		"        -selected_out false\n"
+		"EXCHANGE 1\n"
+		"        -equil with solution 1\n"
+		"        X       1.0\n"
+		"SURFACE 1\n"
+		"        -equil solution 1\n"
+		"# assumes 1/10 of iron is HFO\n"
+		"        SurfOH           0.07    600.    30.\n"
+		"END\n"
+		"SOLUTION 0 20 x precipitation\n"
+		"        pH      4.6\n"
+		"        pe      4.0     O2(g)   -0.7\n"
+		"        temp    25.\n"
+		"        units   mmol/kgw\n"
+		"        Ca      .191625\n"
+		"        Mg      .035797\n"
+		"        Na      .122668\n"
+		"        Cl      .133704\n"
+		"        C       .01096\n"
+		"        S       .235153         charge\n"
+		"EQUILIBRIUM_PHASES 0\n"
+		"        Dolomite        0.0     1.6\n"
+		"        Calcite         0.0     0.1\n"
+		"        CO2(g)          -1.5    10.\n"
+		"SAVE solution 0\n"
+		"END\n"
+		"PRINT\n"
+		"        -selected_out true\n"
+		"        -status false\n"
+		"ADVECTION\n"
+		"        -cells 1\n"
+		"        -shifts 200\n"
+		"        -print_frequency 200\n"
+		"USER_GRAPH 1 Example 14\n"
+		"        -headings PV As(ppb) Ca(M) Mg(M) Na(M) pH\n"
+		"        -chart_title \"Chemical Evolution of the Central Oklahoma Aquifer\"\n"
+		"        -axis_titles \"Pore volumes or shift number\" \"Log(Concentration, in ppb or molal)\" \"pH\"\n"
+		"        -axis_scale x_axis 0 200\n"
+		"        -axis_scale y_axis 1e-6 100 auto auto Log\n"
+		"  10 GRAPH_X STEP_NO\n"
+		"  20 GRAPH_Y TOT(\"As\") * 74.92e6, TOT(\"Ca\"), TOT(\"Mg\"), TOT(\"Na\")\n"
+		"  30 GRAPH_SY -LA(\"H+\")\n"
+		"END\n";
+
+	IPhreeqc obj;
+	for (int i = 0; i < 10; ++i)
+	{
+		ASSERT_TRUE(0 != obj.LoadDatabaseString(ex14));
+	}
+}
+
+TEST(TestIPhreeqc, TestLoadDatabaseMissingFile)
+{
+	ASSERT_EQ(false, ::FileExists("missing.file"));
+
+	IPhreeqc obj;
+
+	ASSERT_EQ(1, obj.LoadDatabase("missing.file"));
+	ASSERT_EQ(1, obj.LoadDatabase("missing.file"));
+	ASSERT_EQ(1, obj.LoadDatabase("missing.file"));
+
+	const char expected[] =
+		"ERROR: LoadDatabase: Unable to open:\"missing.file\".\n";
+
+	const char* err = obj.GetErrorString();
+	ASSERT_EQ(std::string(expected), std::string(err));
+}
+
+TEST(TestIPhreeqc, TestSetErrorOn)
+{
+	ASSERT_EQ(false, ::FileExists("missing.file"));
+
+	IPhreeqc obj;
+	ASSERT_EQ(true, obj.GetErrorOn());			// initial setting is true
+
+	obj.SetErrorOn(false);
+	ASSERT_EQ(false, obj.GetErrorOn());
+
+	ASSERT_EQ(1, obj.LoadDatabase("missing.file"));
+	ASSERT_EQ(1, obj.LoadDatabase("missing.file"));
+	ASSERT_EQ(1, obj.LoadDatabase("missing.file"));
+
+	const char expected[] = "GetErrorString: ErrorOn not set.\n";
+	const char* err = obj.GetErrorString();
+	ASSERT_EQ(std::string(expected), std::string(err));
+}
+
+TEST(TestIPhreeqc, TestSetErrorOn2)
+{
+	ASSERT_EQ(false, ::FileExists("missing.file"));
+
+	IPhreeqc obj;
+
+	char ERR_FILENAME[80];
+	snprintf(ERR_FILENAME, sizeof(ERR_FILENAME), "error.%06d.out", ::rand());
+	if (::FileExists(ERR_FILENAME))
+	{
+		::DeleteFile(ERR_FILENAME);
+	}
+	ASSERT_EQ(false, ::FileExists(ERR_FILENAME));
+
+	obj.SetErrorFileOn(true);
+	obj.SetErrorFileName(ERR_FILENAME);
+
+	ASSERT_EQ(true, obj.GetErrorOn());			// initial setting is true
+
+	obj.SetErrorOn(false);
+	ASSERT_EQ(false, obj.GetErrorOn());
+
+	ASSERT_EQ(1, obj.LoadDatabase("missing.file"));
+	ASSERT_EQ(1, obj.LoadDatabase("missing.file"));
+	ASSERT_EQ(1, obj.LoadDatabase("missing.file"));
+
+	ASSERT_EQ(false, ::FileExists(ERR_FILENAME));
+}
+
+TEST(TestIPhreeqc, TestSetErrorOnTakesPrecedence)
+{
+	ASSERT_EQ(false, ::FileExists("missing.file"));
+
+	IPhreeqc obj;
+
+	char ERR_FILENAME[80];
+	snprintf(ERR_FILENAME, sizeof(ERR_FILENAME), "error.%06d.out", ::rand());
+	if (::FileExists(ERR_FILENAME))
+	{
+		::DeleteFile(ERR_FILENAME);
+	}
+	ASSERT_EQ(false, ::FileExists(ERR_FILENAME));
+
+	obj.SetErrorFileOn(true);
+	obj.SetErrorFileName(ERR_FILENAME);
+
+	obj.SetErrorOn(false);
+	obj.SetErrorStringOn(false);
+
+	ASSERT_EQ(1, obj.LoadDatabase("missing.file"));
+	ASSERT_EQ(1, obj.LoadDatabase("missing.file"));
+	ASSERT_EQ(1, obj.LoadDatabase("missing.file"));
+
+	const char expected[] = "GetErrorString: ErrorOn not set.\n";
+	const char* err = obj.GetErrorString();
+	ASSERT_EQ(std::string(expected), std::string(err));
+
+	ASSERT_EQ(false, ::FileExists(ERR_FILENAME));
+}
+
+TEST(TestIPhreeqc, TestLoadDatabaseWithErrors)
+{
+#if defined(_WIN32)
+	int n0 = ::_fcloseall();
+	assert(n0 == 0);
+#endif
+
+	IPhreeqc obj;
+
+	for (int i = 0; i < 10; ++i)
+	{
+		ASSERT_EQ(true, ::FileExists("missing_e.dat"));
+		ASSERT_TRUE(::FileSize("missing_e.dat") > 0);
+		ASSERT_EQ(6, obj.LoadDatabase("missing_e.dat"));
+
+		const char* expected =
+			"ERROR: Could not reduce equation to primary master species, CH4.\n"
+			"ERROR: Could not reduce equation to primary master species, Cu+.\n"
+			"ERROR: Could not reduce equation to primary master species, Fe+3.\n"
+			"ERROR: Could not reduce equation to primary master species, H2.\n"
+			"ERROR: Could not reduce equation to primary master species, Mn+3.\n"
+			"ERROR: Could not reduce equation to primary master species, NH4+.\n"
+			"ERROR: Could not reduce equation to primary master species, N2.\n"
+			"ERROR: Could not reduce equation to primary master species, NO2-.\n"
+			"ERROR: Could not reduce equation to primary master species, O2.\n"
+			"ERROR: Could not reduce equation to primary master species, HS-.\n"
+			"ERROR: Could not reduce equation to secondary master species, e-.\n"
+			"ERROR: Non-master species in secondary reaction, e-.\n"
+			"ERROR: No master species for element e.\n"
+			"ERROR: Could not find primary master species for e.\n"
+			"ERROR: No master species for element e.\n"
+			"ERROR: Could not reduce equation to secondary master species, Hausmannite.\n"
+			"ERROR: Could not reduce equation to secondary master species, Manganite.\n"
+			"ERROR: Could not reduce equation to secondary master species, Pyrite.\n"
+			"ERROR: Could not reduce equation to secondary master species, Pyrolusite.\n"
+			"ERROR: Could not reduce equation to secondary master species, Sulfur.\n"
+			"ERROR: e-, primary master species for E-, not defined.\n"
+			"ERROR: Calculations terminating due to input errors.\n";
+
+		const char* err = obj.GetErrorString();
+		ASSERT_EQ(std::string(expected), std::string(err));
+	}
+#if defined(_WIN32)
+	int n = ::_fcloseall();
+	assert(n == 0);
+#endif
+}
+
+TEST(TestIPhreeqc, TestRunAccumulated)
+{
+#if defined(_WIN32)
+	int n = ::_fcloseall();
+	assert(n == 0);
+#endif
+
+	bool files_on = false;
+	IPhreeqc obj;
+	ASSERT_EQ(0, obj.LoadDatabase("phreeqc.dat"));
+	ASSERT_EQ(VR_OK, obj.AccumulateLine("solution 12"));
+	obj.SetOutputFileOn(files_on);
+	obj.SetErrorFileOn(files_on);
+	obj.SetLogFileOn(files_on);
+	obj.SetSelectedOutputFileOn(files_on);
+	obj.SetDumpFileOn(files_on);
+	ASSERT_EQ(0, obj.RunAccumulated());
+}
+
+TEST(TestIPhreeqc, TestRunAccumulatedWithDBKeyword)
+{
+	IPhreeqc obj;
+	ASSERT_EQ(0, obj.LoadDatabase("phreeqc.dat"));
+
+	for (int i = 0; i < 10; ++i)
+	{
+		ASSERT_EQ(VR_OK, obj.AccumulateLine("DATABASE wateq4f.dat"));
+		ASSERT_EQ(VR_OK, obj.AccumulateLine("SOLUTION 1"));
+		ASSERT_EQ(0, obj.RunAccumulated());
+
+		const char* warn = obj.GetWarningString();
+		const char expected[] = "WARNING: DATABASE keyword is ignored by IPhreeqc.\n";
+
+		ASSERT_EQ(std::string(expected), std::string(warn));
+	}
+}
+
+TEST(TestIPhreeqc, TestDatabaseNotFirstKeyword)
+{
+	IPhreeqc obj;
+	ASSERT_EQ(0, obj.LoadDatabase("phreeqc.dat"));
+
+	for (int i = 0; i < 10; ++i)
+	{
+		ASSERT_EQ(VR_OK, obj.AccumulateLine("SOLUTION 1"));
+		ASSERT_EQ(VR_OK, obj.AccumulateLine("DATABASE wateq4f.dat"));
+		ASSERT_EQ(2, obj.RunAccumulated());
+
+		const char expected[] =
+			"ERROR: DATABASE must be the first keyword in the input file.\n"
+			"ERROR: Calculations terminating due to input errors.\n";
+		const char* err = obj.GetErrorString();
+
+		ASSERT_EQ(std::string(expected), std::string(err));
+	}
+}
+
+TEST(TestIPhreeqc, TestRunWithErrors)
+{
+	const char dump_file[] = "error.inp";
+	IPhreeqc obj;
+
+	FileTest dfile(dump_file);
+	ASSERT_TRUE(dfile.RemoveExisting());
+
+	bool files_on = false;
+	ASSERT_EQ(0, obj.LoadDatabase("phreeqc.dat"));
+	ASSERT_EQ(VR_OK, obj.AccumulateLine("SOLUTION 1"));
+	ASSERT_EQ(VR_OK, obj.AccumulateLine("	pH	7"));
+	ASSERT_EQ(VR_OK, obj.AccumulateLine("	Na	1"));
+	ASSERT_EQ(VR_OK, obj.AccumulateLine("PHASES"));
+	ASSERT_EQ(VR_OK, obj.AccumulateLine("	Fix_H+"));
+	ASSERT_EQ(VR_OK, obj.AccumulateLine("	H+ = H+"));
+	ASSERT_EQ(VR_OK, obj.AccumulateLine("	log_k	0"));
+	ASSERT_EQ(VR_OK, obj.AccumulateLine("EQUILIBRIUM_PHASES"));
+	ASSERT_EQ(VR_OK, obj.AccumulateLine("	Fix_H+ -10 HCl	10"));
+	ASSERT_EQ(VR_OK, obj.AccumulateLine("END"));
+
+	obj.SetOutputFileOn(files_on);
+	obj.SetErrorFileOn(files_on);
+	obj.SetLogFileOn(files_on);
+	obj.SetSelectedOutputFileOn(files_on);
+	obj.SetDumpFileOn(files_on);
+	ASSERT_EQ(1, obj.RunAccumulated());
+
+	const char expected[] =
+		"ERROR: Numerical method failed on all combinations of convergence parameters, cell/soln/mix 1\n";
+	const char* err = obj.GetErrorString();
+
+	ASSERT_EQ(std::string(expected), std::string(err));
+
+	ASSERT_TRUE(dfile.VerifyExists());
+	ASSERT_TRUE(dfile.Size() > 0);
+}
+
+TEST(TestIPhreeqc, TestRunFile)
+{
+	const char dump_file[] = "error.inp";
+
+	FileTest dfile(dump_file);
+	ASSERT_TRUE(dfile.RemoveExisting());
+
+	IPhreeqc obj;
+
+	ASSERT_EQ(0, obj.LoadDatabase("phreeqc.dat"));
+	obj.SetOutputFileOn(false);
+	obj.SetErrorFileOn(false);
+	obj.SetLogFileOn(false);
+	obj.SetSelectedOutputFileOn(false);
+	obj.SetDumpFileOn(false);
+	ASSERT_EQ(1, obj.RunFile("conv_fail.in"));
+
+	const char expected[] =
+		"ERROR: Numerical method failed on all combinations of convergence parameters, cell/soln/mix 1\n";
+	const char* err = obj.GetErrorString();
+
+	ASSERT_EQ(std::string(expected), std::string(err));
+
+	// Note: should this file exist since GetDumpFileOn is false?
+	ASSERT_TRUE(dfile.VerifyExists());
+	ASSERT_TRUE(dfile.Size() > 0);
+}
+
+TEST(TestIPhreeqc, TestRunString)
+{
+	const char input[] =
+		"TITLE Example 1.--Add uranium and speciate seawater.\n"
+		"SOLUTION 1  SEAWATER FROM NORDSTROM ET AL. (1979)\n"
+		"        units   ppm\n"
+		"        pH      8.22\n"
+		"        pe      8.451\n"
+		"        density 1.023\n"
+		"        temp    25.0\n"
+		"        redox   O(0)/O(-2)\n"
+		"        Ca              412.3\n"
+		"        Mg              1291.8\n"
+		"        Na              10768.0\n"
+		"        K               399.1\n"
+		"        Fe              0.002\n"
+		"        Mn              0.0002  pe\n"
+		"        Si              4.28\n"
+		"        Cl              19353.0\n"
+		"        Alkalinity      141.682 as HCO3\n"
+		"        S(6)            2712.0\n"
+		"        N(5)            0.29    gfw   62.0\n"
+		"        N(-3)           0.03    as    NH4\n"
+		"        U               3.3     ppb   N(5)/N(-3)\n"
+		"        O(0)            1.0     O2(g) -0.7\n"
+		"SOLUTION_MASTER_SPECIES\n"
+		"        U       U+4     0.0     238.0290     238.0290\n"
+		"        U(4)    U+4     0.0     238.0290\n"
+		"        U(5)    UO2+    0.0     238.0290\n"
+		"        U(6)    UO2+2   0.0     238.0290\n"
+		"SOLUTION_SPECIES\n"
+		"        #primary master species for U\n"
+		"        #is also secondary master species for U(4)\n"
+		"        U+4 = U+4\n"
+		"                log_k          0.0\n"
+		"        U+4 + 4 H2O = U(OH)4 + 4 H+\n"
+		"                log_k          -8.538\n"
+		"                delta_h        24.760 kcal\n"
+		"        U+4 + 5 H2O = U(OH)5- + 5 H+\n"
+		"                log_k          -13.147\n"
+		"                delta_h        27.580 kcal\n"
+		"        #secondary master species for U(5)\n"
+		"        U+4 + 2 H2O = UO2+ + 4 H+ + e-\n"
+		"                log_k          -6.432\n"
+		"                delta_h        31.130 kcal\n"
+		"        #secondary master species for U(6)\n"
+		"        U+4 + 2 H2O = UO2+2 + 4 H+ + 2 e-\n"
+		"                log_k          -9.217\n"
+		"                delta_h        34.430 kcal\n"
+		"        UO2+2 + H2O = UO2OH+ + H+\n"
+		"                log_k          -5.782\n"
+		"                delta_h        11.015 kcal\n"
+		"        2UO2+2 + 2H2O = (UO2)2(OH)2+2 + 2H+\n"
+		"                log_k          -5.626\n"
+		"                delta_h        -36.04 kcal\n"
+		"        3UO2+2 + 5H2O = (UO2)3(OH)5+ + 5H+\n"
+		"                log_k          -15.641\n"
+		"                delta_h        -44.27 kcal\n"
+		"        UO2+2 + CO3-2 = UO2CO3\n"
+		"                log_k          10.064\n"
+		"                delta_h        0.84 kcal\n"
+		"        UO2+2 + 2CO3-2 = UO2(CO3)2-2\n"
+		"                log_k          16.977\n"
+		"                delta_h        3.48 kcal\n"
+		"        UO2+2 + 3CO3-2 = UO2(CO3)3-4\n"
+		"                log_k          21.397\n"
+		"                delta_h        -8.78 kcal\n"
+		"PHASES\n"
+		"        Uraninite\n"
+		"        UO2 + 4 H+ = U+4 + 2 H2O\n"
+		"        log_k          -3.490\n"
+		"        delta_h        -18.630 kcal\n"
+		"END\n"
+		"\n";
+
+	IPhreeqc obj;
+
+	char OUTPUT_FILE[80];
+	//snprintf(OUTPUT_FILE, sizeof(OUTPUT_FILE), "phreeqc.%lu.out", (unsigned long)obj.GetId());
+	snprintf(OUTPUT_FILE, sizeof(OUTPUT_FILE), "phreeqc.%lu.out", (unsigned long)obj.GetId());
+
+	FileTest ofile(OUTPUT_FILE);
+	ASSERT_TRUE(ofile.RemoveExisting());
+
+	ASSERT_EQ(false, ::FileExists(OUTPUT_FILE));
+	ASSERT_EQ(0, obj.LoadDatabase("phreeqc.dat"));
+	obj.SetOutputFileOn(true);
+	obj.SetErrorFileOn(false);
+	obj.SetLogFileOn(false);
+	obj.SetSelectedOutputFileOn(false);
+	obj.SetDumpFileOn(false);
+	ASSERT_EQ(false, ::FileExists(OUTPUT_FILE));
+	ASSERT_EQ(0, obj.RunString(input));
+
+	ASSERT_TRUE(ofile.VerifyExists());
+	ASSERT_TRUE(ofile.Size() > 0);
+}
+
+TEST(TestIPhreeqc, TestGetSelectedOutputRowCount)
+{
+	IPhreeqc obj;
+
+	ASSERT_EQ(0, obj.LoadDatabase("llnl.dat"));
+
+	int max = 6;
+
+	ASSERT_EQ(VR_OK, SOLUTION(obj, 1.0, 1.0, 1.0));
+	ASSERT_EQ(VR_OK, EQUILIBRIUM_PHASES(obj, "calcite", 0.0, 0.010));
+	ASSERT_EQ(VR_OK, USER_PUNCH(obj, "Ca", max));
+
+	obj.SetOutputFileOn(false);
+	obj.SetErrorFileOn(false);
+	obj.SetLogFileOn(false);
+	obj.SetSelectedOutputFileOn(false);
+	obj.SetDumpFileOn(false);
+	ASSERT_EQ(0, obj.RunAccumulated());
+
+	ASSERT_EQ(3, obj.GetSelectedOutputRowCount()); // rows + header
+}
+
+TEST(TestIPhreeqc, TestGetSelectedOutputValue)
+{
+	int col;
+
+	IPhreeqc obj;
+
+	ASSERT_EQ(0, obj.LoadDatabase("llnl.dat"));
+
+	int max = 6;
+
+	ASSERT_EQ(VR_OK, SOLUTION(obj, 1.0, 1.0, 1.0));
+	ASSERT_EQ(VR_OK, EQUILIBRIUM_PHASES(obj, "calcite", 0.0, 0.010));
+	ASSERT_EQ(VR_OK, USER_PUNCH(obj, "Ca", max));
+
+	obj.SetOutputFileOn(false);
+	obj.SetErrorFileOn(false);
+	obj.SetLogFileOn(false);
+	obj.SetSelectedOutputFileOn(false);
+	obj.SetDumpFileOn(false);
+	ASSERT_EQ(0, obj.RunAccumulated());
+
+	/*
+	EXPECTED selected.out:
+			 sim	       state	        soln	      dist_x	        time	        step	          pH	          pe	           C	          Ca	          Na	     m_CO3-2	     m_CaOH+	    m_NaCO3-	    la_CO3-2	    la_CaOH+	   la_NaCO3-	     Calcite	   d_Calcite	   si_CO2(g)	 si_Siderite	    pressure	   total mol	      volume	    g_CO2(g)	     g_N2(g)	    k_Albite	   dk_Albite	    k_Pyrite	   dk_Pyrite	     s_CaSO4	     s_SrSO4	      1.name	      1.type	     1.moles	      2.name	      2.type	     2.moles	      3.name	      3.type	     3.moles	      4.name	      4.type	     4.moles	      5.name	      5.type	     5.moles	      6.name	      6.type	     6.moles
+			   1	      i_soln	           1	         -99	         -99	         -99	           7	           4	 1.0000e-003	 1.0000e-003	 1.0000e-003	 4.2975e-007	 1.1819e-009	 1.1881e-009	-6.4686e+000	-8.9530e+000	-8.9507e+000	 0.0000e+000	 0.0000e+000	     -2.2870	   -999.9990	 0.0000e+000	 0.0000e+000	 0.0000e+000	 0.0000e+000	 0.0000e+000	 0.0000e+000	 0.0000e+000	 0.0000e+000	 0.0000e+000	 0.0000e+000	 0.0000e+000	        Ca+2	          aq	 9.9178e-004	     CaHCO3+	          aq	 7.5980e-006	       CaCO3	          aq	 6.2155e-007	       CaOH+	          aq	 1.1819e-009
+			   1	       react	           1	         -99	           0	           1	     7.86135	       10.18	 1.1556e-003	 1.1556e-003	 1.0000e-003	 4.2718e-006	 9.7385e-009	 1.1620e-008	-5.4781e+000	-8.0388e+000	-7.9621e+000	 9.8444e-003	-1.5555e-004	     -3.0192	   -999.9990	 0.0000e+000	 0.0000e+000	 0.0000e+000	 0.0000e+000	 0.0000e+000	 0.0000e+000	 0.0000e+000	 0.0000e+000	 0.0000e+000	 0.0000e+000	 0.0000e+000	     calcite	        equi	 9.8444e-003	        Ca+2	          aq	 1.1371e-003	     CaHCO3+	          aq	 1.1598e-005	       CaCO3	          aq	 6.8668e-006	       CaOH+	          aq	 9.7385e-009
+	*/
+
+
+	CVar v;
+
+	ASSERT_EQ(VR_INVALIDROW, obj.GetSelectedOutputValue(-1, 0, &v));
+	ASSERT_EQ(TT_ERROR, v.type);
+	ASSERT_EQ(VR_INVALIDROW, v.vresult);
+
+	ASSERT_EQ(VR_INVALIDROW, obj.GetSelectedOutputValue(obj.GetSelectedOutputRowCount(), 0, &v));
+	ASSERT_EQ(TT_ERROR, v.type);
+	ASSERT_EQ(VR_INVALIDROW, v.vresult);
+
+	ASSERT_EQ(VR_INVALIDCOL, obj.GetSelectedOutputValue(0, -1, &v));
+	ASSERT_EQ(TT_ERROR, v.type);
+	ASSERT_EQ(VR_INVALIDCOL, v.vresult);
+
+	ASSERT_EQ(VR_INVALIDCOL, obj.GetSelectedOutputValue(0, obj.GetSelectedOutputColumnCount(), &v));
+	ASSERT_EQ(TT_ERROR, v.type);
+	ASSERT_EQ(VR_INVALIDCOL, v.vresult);
+
+
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(0, 0, &v));
+	ASSERT_EQ(TT_STRING, v.type);
+	ASSERT_EQ(std::string("sim"), std::string(v.sVal));
+
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(0, 1, &v));
+	ASSERT_EQ(TT_STRING, v.type);
+	ASSERT_EQ(std::string("state"), std::string(v.sVal));
+
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(0, 2, &v));
+	ASSERT_EQ(TT_STRING, v.type);
+	ASSERT_EQ(std::string("soln"), std::string(v.sVal));
+
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(0, 3, &v));
+	ASSERT_EQ(TT_STRING, v.type);
+	ASSERT_EQ(std::string("dist_x"), std::string(v.sVal));
+
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(0, 4, &v));
+	ASSERT_EQ(TT_STRING, v.type);
+	ASSERT_EQ(std::string("time"), std::string(v.sVal));
+
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(0, 5, &v));
+	ASSERT_EQ(TT_STRING, v.type);
+	ASSERT_EQ(std::string("step"), std::string(v.sVal));
+
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(0, 6, &v));
+	ASSERT_EQ(TT_STRING, v.type);
+	ASSERT_EQ(std::string("pH"), std::string(v.sVal));
+
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(0, 7, &v));
+	ASSERT_EQ(TT_STRING, v.type);
+	ASSERT_EQ(std::string("pe"), std::string(v.sVal));
+
+	col = 7;
+
+	// -totals C Ca Na
+	++col;
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(0, col, &v));
+	ASSERT_EQ(TT_STRING, v.type);
+	ASSERT_EQ(std::string("C(mol/kgw)"), std::string(v.sVal));
+	++col;
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(0, col, &v));
+	ASSERT_EQ(TT_STRING, v.type);
+	ASSERT_EQ(std::string("Ca(mol/kgw)"), std::string(v.sVal));
+	++col;
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(0, col, &v));
+	ASSERT_EQ(TT_STRING, v.type);
+	ASSERT_EQ(std::string("Na(mol/kgw)"), std::string(v.sVal));
+
+	// -molalities CO3-2  CaOH+  NaCO3-
+	++col;
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(0, col, &v));
+	ASSERT_EQ(TT_STRING, v.type);
+	ASSERT_EQ(std::string("m_CO3-2(mol/kgw)"), std::string(v.sVal));
+	++col;
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(0, col, &v));
+	ASSERT_EQ(TT_STRING, v.type);
+	ASSERT_EQ(std::string("m_CaOH+(mol/kgw)"), std::string(v.sVal));
+	++col;
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(0, col, &v));
+	ASSERT_EQ(TT_STRING, v.type);
+	ASSERT_EQ(std::string("m_NaCO3-(mol/kgw)"), std::string(v.sVal));
+
+	// -activities CO3-2  CaOH+  NaCO3-
+	++col;
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(0, col, &v));
+	ASSERT_EQ(TT_STRING, v.type);
+	ASSERT_EQ(std::string("la_CO3-2"), std::string(v.sVal));
+	++col;
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(0, col, &v));
+	ASSERT_EQ(TT_STRING, v.type);
+	ASSERT_EQ(std::string("la_CaOH+"), std::string(v.sVal));
+	++col;
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(0, col, &v));
+	ASSERT_EQ(TT_STRING, v.type);
+	ASSERT_EQ(std::string("la_NaCO3-"), std::string(v.sVal));
+
+	// -equilibrium_phases Calcite
+	++col;
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(0, col, &v));
+	ASSERT_EQ(TT_STRING, v.type);
+	ASSERT_EQ(std::string("Calcite"), std::string(v.sVal));
+	++col;
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(0, col, &v));
+	ASSERT_EQ(TT_STRING, v.type);
+	ASSERT_EQ(std::string("d_Calcite"), std::string(v.sVal));
+
+
+	// -saturation_indices CO2(g) Siderite
+	++col;
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(0, col, &v));
+	ASSERT_EQ(TT_STRING, v.type);
+	ASSERT_EQ(std::string("si_CO2(g)"), std::string(v.sVal));
+	++col;
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(0, col, &v));
+	ASSERT_EQ(TT_STRING, v.type);
+	ASSERT_EQ(std::string("si_Siderite"), std::string(v.sVal));
+
+	// -gases CO2(g) N2(g)
+	//                      pressure "total mol" volume g_CO2(g) g_N2(g)
+	++col;
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(0, col, &v));
+	ASSERT_EQ(TT_STRING, v.type);
+	ASSERT_EQ(std::string("pressure"), std::string(v.sVal));
+	++col;
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(0, col, &v));
+	ASSERT_EQ(TT_STRING, v.type);
+	ASSERT_EQ(std::string("total mol"), std::string(v.sVal));
+	++col;
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(0, col, &v));
+	ASSERT_EQ(TT_STRING, v.type);
+	ASSERT_EQ(std::string("volume"), std::string(v.sVal));
+	++col;
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(0, col, &v));
+	ASSERT_EQ(TT_STRING, v.type);
+	ASSERT_EQ(std::string("g_CO2(g)"), std::string(v.sVal));
+	++col;
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(0, col, &v));
+	ASSERT_EQ(TT_STRING, v.type);
+	ASSERT_EQ(std::string("g_N2(g)"), std::string(v.sVal));
+
+	// -kinetic_reactants Albite Pyrite
+	//                               k_Albite dk_Albite k_Pyrite dk_Pyrite
+	++col;
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(0, col, &v));
+	ASSERT_EQ(TT_STRING, v.type);
+	ASSERT_EQ(std::string("k_Albite"), std::string(v.sVal));
+	++col;
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(0, col, &v));
+	ASSERT_EQ(TT_STRING, v.type);
+	ASSERT_EQ(std::string("dk_Albite"), std::string(v.sVal));
+	++col;
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(0, col, &v));
+	ASSERT_EQ(TT_STRING, v.type);
+	ASSERT_EQ(std::string("k_Pyrite"), std::string(v.sVal));
+	++col;
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(0, col, &v));
+	ASSERT_EQ(TT_STRING, v.type);
+	ASSERT_EQ(std::string("dk_Pyrite"), std::string(v.sVal));
+
+	// -solid_solutions CaSO4 SrSO4
+	//                              s_CaSO4 s_SrSO4
+	++col;
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(0, col, &v));
+	ASSERT_EQ(TT_STRING, v.type);
+	ASSERT_EQ(std::string("s_CaSO4"), std::string(v.sVal));
+	++col;
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(0, col, &v));
+	ASSERT_EQ(TT_STRING, v.type);
+	ASSERT_EQ(std::string("s_SrSO4"), std::string(v.sVal));
+
+	for (int i = 0; i < max; ++i)
+	{
+		std::ostringstream oss1, oss2, oss3;
+
+		// 1.name
+		//
+		ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(0, col + 1 + (i * 3), &v));
+		ASSERT_EQ(TT_STRING, v.type);
+		oss1 << i + 1 << ".name";
+		ASSERT_EQ(oss1.str(), std::string(v.sVal));
+
+		// 1.type
+		//
+		ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(0, col + 2 + (i * 3), &v));
+		ASSERT_EQ(TT_STRING, v.type);
+		oss2 << i + 1 << ".type";
+		ASSERT_EQ(oss2.str(), std::string(v.sVal));
+
+		// 1.moles
+		//
+		ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(0, col + 3 + (i * 3), &v));
+		ASSERT_EQ(TT_STRING, v.type);
+		oss3 << i + 1 << ".moles";
+		ASSERT_EQ(oss3.str(), std::string(v.sVal));
+	}
+
+	// sim
+	//
+	col = 0;
+	//   i_soln
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(1, col, &v));
+	ASSERT_EQ(TT_LONG, v.type);
+	ASSERT_EQ(1L, v.lVal);
+	//   react
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(2, col, &v));
+	ASSERT_EQ(TT_LONG, v.type);
+	ASSERT_EQ(1L, v.lVal);
+
+	// state
+	//
+	++col;
+	//   i_soln
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(1, col, &v));
+	ASSERT_EQ(TT_STRING, v.type);
+	ASSERT_EQ(std::string("i_soln"), std::string(v.sVal));
+	//   react
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(2, col, &v));
+	ASSERT_EQ(TT_STRING, v.type);
+	ASSERT_EQ(std::string("react"), std::string(v.sVal));
+
+	// soln
+	//
+	++col;
+	//   i_soln
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(1, col, &v));
+	ASSERT_EQ(TT_LONG, v.type);
+	ASSERT_EQ(1L, v.lVal);
+	//   react
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(2, col, &v));
+	ASSERT_EQ(TT_LONG, v.type);
+	ASSERT_EQ(1L, v.lVal);
+
+	// dist_x -- (always as double)
+	//
+	++col;
+	//   i_soln
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(1, col, &v));
+	ASSERT_EQ(TT_DOUBLE, v.type);
+	ASSERT_EQ(-99., v.dVal);
+	//   react
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(2, col, &v));
+	ASSERT_EQ(TT_DOUBLE, v.type);
+	ASSERT_EQ(-99., v.dVal);
+
+
+	// time -- (always as double)
+	//
+	++col;
+	//   i_soln
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(1, col, &v));
+	ASSERT_EQ(TT_DOUBLE, v.type);
+	ASSERT_EQ(-99., v.dVal);
+	//   react
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(2, col, &v));
+	ASSERT_EQ(TT_DOUBLE, v.type);
+	ASSERT_NEAR(0.0, v.dVal, ::pow(10., -DBL_DIG));
+
+	// step
+	//
+	++col;
+	//   i_soln
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(1, col, &v));
+	ASSERT_EQ(TT_LONG, v.type);
+	ASSERT_EQ(-99L, v.lVal);
+	//   react
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(2, col, &v));
+	ASSERT_EQ(TT_LONG, v.type);
+	ASSERT_EQ(1L, v.lVal);
+
+
+	// pH
+	//
+	++col;
+	//   i_soln
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(1, col, &v));
+	ASSERT_EQ(TT_DOUBLE, v.type);
+	ASSERT_NEAR(7.0, v.dVal, ::pow(10., -DBL_DIG));
+	//   react
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(2, col, &v));
+	ASSERT_EQ(TT_DOUBLE, v.type);
+	ASSERT_NEAR(7.861354, v.dVal, ::pow(10., -6));
+
+	// pe
+	//
+	++col;
+	//   i_soln
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(1, col, &v));
+	ASSERT_EQ(TT_DOUBLE, v.type);
+	ASSERT_NEAR(4.0, v.dVal, ::pow(10., -DBL_DIG));
+	//   react
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(2, col, &v));
+	ASSERT_EQ(TT_DOUBLE, v.type);
+	// COMMENT: {8/8/2013 12:26:01 AM}	ASSERT_NEAR( 9.90855, v.dVal, ::pow(10., -1) );
+
+		//
+		// -totals C Ca Na
+		//
+
+		// C(mol/kgw)
+		//
+	++col;
+	//   i_soln
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(1, col, &v));
+	ASSERT_EQ(TT_DOUBLE, v.type);
+	ASSERT_NEAR(1.0000e-003, v.dVal, ::pow(10., -DBL_DIG));
+	//   react
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(2, col, &v));
+	ASSERT_EQ(TT_DOUBLE, v.type);
+	ASSERT_NEAR(1.1556e-003, v.dVal, ::pow(10., -7));
+
+
+	// Ca(mol/kgw)
+	//
+	++col;
+	//   i_soln
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(1, col, &v));
+	ASSERT_EQ(TT_DOUBLE, v.type);
+	ASSERT_NEAR(1.0000e-003, v.dVal, ::pow(10., -DBL_DIG));
+	//   react
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(2, col, &v));
+	ASSERT_EQ(TT_DOUBLE, v.type);
+	ASSERT_NEAR(1.1556e-003, v.dVal, ::pow(10., -7));
+
+
+	// Na(mol/kgw)
+	//
+	++col;
+	//   i_soln
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(1, col, &v));
+	ASSERT_EQ(TT_DOUBLE, v.type);
+	ASSERT_NEAR(1.0000e-003, v.dVal, ::pow(10., -DBL_DIG));
+	//   react
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(2, col, &v));
+	ASSERT_EQ(TT_DOUBLE, v.type);
+	ASSERT_NEAR(1.0000e-003, v.dVal, ::pow(10., -7));
+
+	// -molalities CO3-2  CaOH+  NaCO3-
+	col += 3;
+
+	// -activities CO3-2  CaOH+  NaCO3-
+	col += 3;
+
+	// -equilibrium_phases Calcite
+	col += 2;
+
+	// -saturation_indices CO2(g) Siderite
+	col += 2;
+
+	// -gases CO2(g) N2(g)
+	col += 5;
+
+	// -kinetic_reactants Albite Pyrite
+	//                               k_Albite dk_Albite k_Pyrite dk_Pyrite
+	col += 4;
+
+	// -solid_solutions CaSO4 SrSO4
+	//                              s_CaSO4 s_SrSO4
+	col += 2;
+
+
+	// 1.name
+	//
+	++col;
+	//   i_soln
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(1, col, &v));
+	ASSERT_EQ(TT_STRING, v.type);
+	ASSERT_EQ(std::string("Ca+2"), std::string(v.sVal));
+	//   react
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(2, col, &v));
+	ASSERT_EQ(TT_STRING, v.type);
+	ASSERT_EQ(std::string("Calcite"), std::string(v.sVal));
+
+	// 1.type
+	//
+	++col;
+	//   i_soln
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(1, col, &v));
+	ASSERT_EQ(TT_STRING, v.type);
+	ASSERT_EQ(std::string("aq"), std::string(v.sVal));
+	//   react
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(2, col, &v));
+	ASSERT_EQ(TT_STRING, v.type);
+	ASSERT_EQ(std::string("equi"), std::string(v.sVal));
+
+	// 1.moles
+	//
+	++col;
+	//   i_soln
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(1, col, &v));
+	ASSERT_EQ(TT_DOUBLE, v.type);
+	ASSERT_NEAR(9.9177923E-04, v.dVal, ::pow(10., -11));
+	//   react
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(2, col, &v));
+	ASSERT_EQ(TT_DOUBLE, v.type);
+	ASSERT_NEAR(9.8444477E-03, v.dVal, ::pow(10., -10));
+
+	// 2.name
+	//
+	++col;
+	//   i_soln
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(1, col, &v));
+	ASSERT_EQ(TT_STRING, v.type);
+	ASSERT_EQ(std::string("CaHCO3+"), std::string(v.sVal));
+	//   react
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(2, col, &v));
+	ASSERT_EQ(TT_STRING, v.type);
+	ASSERT_EQ(std::string("Ca+2"), std::string(v.sVal));
+
+	// 2.type
+	//
+	++col;
+	//   i_soln
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(1, col, &v));
+	ASSERT_EQ(TT_STRING, v.type);
+	ASSERT_EQ(std::string("aq"), std::string(v.sVal));
+	//   react
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(2, col, &v));
+	ASSERT_EQ(TT_STRING, v.type);
+	ASSERT_EQ(std::string("aq"), std::string(v.sVal));
+
+	// 2.moles
+	//
+	++col;
+	//   i_soln
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(1, col, &v));
+	ASSERT_EQ(TT_DOUBLE, v.type);
+	ASSERT_NEAR(7.5980e-006, v.dVal, ::pow(10., -10));
+	//   react
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(2, col, &v));
+	ASSERT_EQ(TT_DOUBLE, v.type);
+	ASSERT_NEAR(1.1371e-003, v.dVal, ::pow(10., -7));
+
+
+	// 3.name
+	//
+	++col;
+	//   i_soln
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(1, col, &v));
+	ASSERT_EQ(TT_STRING, v.type);
+	ASSERT_EQ(std::string("CaCO3"), std::string(v.sVal));
+	//   react
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(2, col, &v));
+	ASSERT_EQ(TT_STRING, v.type);
+	ASSERT_EQ(std::string("CaHCO3+"), std::string(v.sVal));
+
+	// 3.type
+	//
+	++col;
+	//   i_soln
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(1, col, &v));
+	ASSERT_EQ(TT_STRING, v.type);
+	ASSERT_EQ(std::string("aq"), std::string(v.sVal));
+	//   react
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(2, col, &v));
+	ASSERT_EQ(TT_STRING, v.type);
+	ASSERT_EQ(std::string("aq"), std::string(v.sVal));
+
+	// 3.moles
+	//
+	++col;
+	//   i_soln
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(1, col, &v));
+	ASSERT_EQ(TT_DOUBLE, v.type);
+	ASSERT_NEAR(6.2155e-007, v.dVal, ::pow(10., -11));
+	//   react
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(2, col, &v));
+	ASSERT_EQ(TT_DOUBLE, v.type);
+	ASSERT_NEAR(1.1598e-005, v.dVal, ::pow(10., -9));
+
+
+
+	// 4.name
+	//
+	++col;
+	//   i_soln
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(1, col, &v));
+	ASSERT_EQ(TT_STRING, v.type);
+	ASSERT_EQ(std::string("CaOH+"), std::string(v.sVal));
+	//   react
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(2, col, &v));
+	ASSERT_EQ(TT_STRING, v.type);
+	ASSERT_EQ(std::string("CaCO3"), std::string(v.sVal));
+
+	// 4.type
+	//
+	++col;
+	//   i_soln
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(1, col, &v));
+	ASSERT_EQ(TT_STRING, v.type);
+	ASSERT_EQ(std::string("aq"), std::string(v.sVal));
+	//   react
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(2, col, &v));
+	ASSERT_EQ(TT_STRING, v.type);
+	ASSERT_EQ(std::string("aq"), std::string(v.sVal));
+
+	// 4.moles
+	//
+	++col;
+	//   i_soln
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(1, col, &v));
+	ASSERT_EQ(TT_DOUBLE, v.type);
+	ASSERT_NEAR(1.1819e-009, v.dVal, ::pow(10., -13));
+	//   react
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(2, col, &v));
+	ASSERT_EQ(TT_DOUBLE, v.type);
+	ASSERT_NEAR(6.8668e-006, v.dVal, ::pow(10., -10));
+
+
+	// 5.name
+	//
+	++col;
+	//   i_soln
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(1, col, &v));
+	ASSERT_EQ(TT_EMPTY, v.type);
+	//   react
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(2, col, &v));
+	ASSERT_EQ(TT_STRING, v.type);
+	ASSERT_EQ(std::string("CaOH+"), std::string(v.sVal));
+
+	// 5.type
+	//
+	++col;
+	//   i_soln
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(1, col, &v));
+	ASSERT_EQ(TT_EMPTY, v.type);
+	//   react
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(2, col, &v));
+	ASSERT_EQ(TT_STRING, v.type);
+	ASSERT_EQ(std::string("aq"), std::string(v.sVal));
+
+	// 5.moles
+	//
+	++col;
+	//   i_soln
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(1, col, &v));
+	ASSERT_EQ(TT_EMPTY, v.type);
+	//   react
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(2, col, &v));
+	ASSERT_EQ(TT_DOUBLE, v.type);
+	ASSERT_NEAR(9.7385e-009, v.dVal, ::pow(10., -13));
+
+
+	// 6.name
+	//
+	++col;
+	//   i_soln
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(1, col, &v));
+	ASSERT_EQ(TT_EMPTY, v.type);
+	//   react
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(2, col, &v));
+	ASSERT_EQ(TT_EMPTY, v.type);
+
+	// 6.type
+	//
+	++col;
+	//   i_soln
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(1, col, &v));
+	ASSERT_EQ(TT_EMPTY, v.type);
+	//   react
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(2, col, &v));
+	ASSERT_EQ(TT_EMPTY, v.type);
+
+	// 6.moles
+	//
+	++col;
+	//   i_soln
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(1, col, &v));
+	ASSERT_EQ(TT_EMPTY, v.type);
+	//   react
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(2, col, &v));
+	ASSERT_EQ(TT_EMPTY, v.type);
+}
+
+TEST(TestIPhreeqc, TestGetSelectedOutputColumnCount)
+{
+	IPhreeqc obj;
+	ASSERT_EQ(0, obj.LoadDatabase("llnl.dat"));
+	ASSERT_EQ(0, obj.GetSelectedOutputColumnCount());
+	ASSERT_EQ(VR_OK, SOLUTION(obj, 1.0, 1.0, 1.0));
+	ASSERT_EQ(VR_OK, EQUILIBRIUM_PHASES(obj, "calcite", 1.0, 1.0));
+	ASSERT_EQ(VR_OK, USER_PUNCH(obj, "Ca", 10));
+	ASSERT_EQ(0, obj.RunAccumulated());
+	ASSERT_EQ(62, obj.GetSelectedOutputColumnCount());
+}
+
+TEST(TestIPhreeqc, TestAddError)
+{
+	IPhreeqc obj;
+
+	ASSERT_EQ(0, obj.LoadDatabase("phreeqc.dat"));
+
+	// make sure initialized to empty
+	//
+	const char* err = obj.GetErrorString();
+	ASSERT_EQ(std::string(""), std::string(err));
+
+	// make sure initialized to empty
+	//
+	const char* expected = "TESTING AddError\n";
+	ASSERT_EQ((size_t)1, obj.AddError(expected));
+
+	// check 1
+	//
+	err = obj.GetErrorString();
+	ASSERT_EQ(std::string(expected), std::string(err));
+
+	// check increment
+	//
+	const char* expected2 = "XXXXXX\n";
+	ASSERT_EQ((size_t)2, obj.AddError(expected2));
+
+	// check concatenation
+	//
+	err = obj.GetErrorString();
+	ASSERT_EQ(std::string(expected) + std::string(expected2), std::string(err));
+
+
+	// clear errors
+	//
+	ASSERT_EQ(0, obj.LoadDatabase("phreeqc.dat"));
+
+	// make sure back to empty
+	//
+	err = obj.GetErrorString();
+	ASSERT_EQ(std::string(""), std::string(err));
+}
+
+TEST(TestIPhreeqc, TestAccumulateLine)
+{
+	// TODO
+}
+
+TEST(TestIPhreeqc, TestOutputErrorString)
+{
+	// TODO
+}
+
+TEST(TestIPhreeqc, TestRunWithCallback)
+{
+	// TODO
+}
+
+TEST(TestIPhreeqc, TestRunNoDatabaseLoaded)
+{
+	IPhreeqc obj;
+
+#if FIXME_PROTECTED
+	obj.UnLoadDatabase();
+#endif
+	obj.SetOutputFileOn(false);
+	obj.SetErrorFileOn(false);
+	obj.SetLogFileOn(false);
+	obj.SetSelectedOutputFileOn(false);
+	obj.SetDumpFileOn(false);
+	ASSERT_EQ(1, obj.RunAccumulated());
+
+	const char expected[] =
+		"ERROR: RunAccumulated: No database is loaded\n";
+	const char* err = obj.GetErrorString();
+
+	ASSERT_EQ(std::string(expected), std::string(err));
+}
+
+TEST(TestIPhreeqc, TestCase1)
+{
+	// Case 1 (see do_run)
+	// pr.punch == TRUE
+	// punch.new_def == FALSE
+	// output_isopen(OUTPUT_PUNCH) == FALSE
+	// selected_output_on == TRUE
+
+	IPhreeqc obj;
+
+	char SELECTED_OUT[80];
+	snprintf(SELECTED_OUT, sizeof(SELECTED_OUT), "selected_1.%lu.out", (unsigned long)obj.GetId());
+
+	// remove punch file if it exists
+	FileTest sofile(SELECTED_OUT);
+	ASSERT_TRUE(sofile.RemoveExisting());
+
+	// clear all flags
+	ASSERT_EQ(0, obj.LoadDatabase("phreeqc.dat"));
+#if FIXME_PROTECTED
+	ASSERT_EQ(false, obj.PhreeqcPtr->SelectedOutput_map.size() > 0);
+	ASSERT_EQ(TRUE, obj.PhreeqcPtr->pr.punch);
+#endif
+
+
+	ASSERT_EQ(VR_OK, SOLUTION(obj, 1.0, 1.0, 1.0));
+	ASSERT_EQ(VR_OK, USER_PUNCH(obj, "Ca", 10));
+	obj.SetOutputFileOn(false);
+	obj.SetErrorFileOn(false);
+	obj.SetLogFileOn(false);
+	obj.SetSelectedOutputFileOn(true);
+	obj.SetDumpFileOn(false);
+	ASSERT_EQ(0, obj.RunAccumulated());
+
+	ASSERT_TRUE(sofile.VerifyExists());
+	ASSERT_TRUE(sofile.Size() > 0);
+	ASSERT_EQ(62, obj.GetSelectedOutputColumnCount());
+
+	ASSERT_EQ(VR_OK, SOLUTION(obj, 1.0, 1.0, 1.0));
+	obj.SetOutputFileOn(false);
+	obj.SetErrorFileOn(false);
+	obj.SetLogFileOn(false);
+	obj.SetSelectedOutputFileOn(true);
+	obj.SetDumpFileOn(false);
+	ASSERT_EQ(0, obj.RunAccumulated());
+
+	ASSERT_TRUE(sofile.VerifyExists());
+	ASSERT_TRUE(sofile.Size() > 0);
+	ASSERT_EQ(62, obj.GetSelectedOutputColumnCount());
+}
+
+TEST(TestIPhreeqc, TestCase2)
+{
+	// Case 2 (see do_run)
+	// pr.punch == TRUE
+	// punch.new_def == TRUE
+	// output_isopen(OUTPUT_PUNCH) == FALSE
+	// selected_output_on == TRUE
+
+	IPhreeqc obj;
+
+	// remove punch files if they exists
+	//
+	FileTest sofile("selected.out");
+	FileTest c2file("case2.punch");
+	ASSERT_TRUE(sofile.RemoveExisting());
+	ASSERT_TRUE(c2file.RemoveExisting());
+
+	// clear all flags
+	ASSERT_EQ(0, obj.LoadDatabase("phreeqc.dat"));
+#if FIXME_PROTECTED
+	ASSERT_EQ(false, obj.PhreeqcPtr->SelectedOutput_map.size() > 0);
+	ASSERT_EQ(TRUE, obj.PhreeqcPtr->pr.punch);
+#endif
+
+	ASSERT_EQ(VR_OK, SOLUTION(obj, 1.0, 1.0, 1.0));
+	ASSERT_EQ(VR_OK, USER_PUNCH(obj, "Ca", 10));
+	ASSERT_EQ(VR_OK, obj.AccumulateLine("-file case2.punch")); // force have_punch_name to TRUE (see read_selected_ouput)
+	obj.SetOutputFileOn(false);
+	obj.SetErrorFileOn(false);
+	obj.SetLogFileOn(false);
+	obj.SetSelectedOutputFileOn(true);
+	obj.SetDumpFileOn(false);
+	ASSERT_EQ(0, obj.RunAccumulated());
+	ASSERT_TRUE(sofile.VerifyMissing());
+	ASSERT_TRUE(c2file.VerifyExists());
+	ASSERT_EQ(62, obj.GetSelectedOutputColumnCount());
+
+
+	// remove punch files if they exist
+	//
+	ASSERT_TRUE(sofile.RemoveExisting());
+	ASSERT_TRUE(c2file.RemoveExisting());
+
+	ASSERT_EQ(VR_OK, SOLUTION(obj, 1.0, 1.0, 1.0));
+	ASSERT_EQ(VR_OK, USER_PUNCH(obj, "Ca", 10));
+	obj.SetOutputFileOn(false);
+	obj.SetErrorFileOn(false);
+	obj.SetLogFileOn(false);
+	obj.SetSelectedOutputFileOn(true);
+	obj.SetDumpFileOn(false);
+	ASSERT_EQ(0, obj.RunAccumulated());
+	ASSERT_TRUE(sofile.VerifyMissing());
+	ASSERT_TRUE(c2file.VerifyExists());
+	ASSERT_EQ(62, obj.GetSelectedOutputColumnCount());
+}
+
+TEST(TestIPhreeqc, TestPrintSelectedOutputFalse)
+{
+	IPhreeqc obj;
+
+	// remove punch files if they exists
+	//
+	if (::FileExists("selected.out"))
+	{
+		::DeleteFile("selected.out");
+	}
+	ASSERT_EQ(false, ::FileExists("selected.out"));
+
+	ASSERT_EQ(0, obj.LoadDatabase("phreeqc.dat"));
+
+	// add solution block
+	ASSERT_EQ(VR_OK, SOLUTION(obj, 1.0, 1.0, 1.0));
+
+	// add selected output block
+	ASSERT_EQ(VR_OK, SELECTED_OUTPUT(obj));
+
+	// turn off selected output
+	ASSERT_EQ(VR_OK, obj.AccumulateLine("PRINT; -selected_output false \n"));
+
+	// run
+	obj.SetOutputFileOn(false);
+	obj.SetErrorFileOn(false);
+	obj.SetLogFileOn(false);
+	obj.SetSelectedOutputFileOn(true);
+	obj.SetDumpFileOn(false);
+	ASSERT_EQ(0, obj.RunAccumulated());
+
+	ASSERT_EQ(0, obj.GetSelectedOutputColumnCount());
+	ASSERT_EQ(0, obj.GetSelectedOutputRowCount());
+
+
+	// reset pr.punch to TRUE
+	ASSERT_EQ(0, obj.LoadDatabase("phreeqc.dat"));
+
+	// add solution block
+	ASSERT_EQ(VR_OK, SOLUTION(obj, 1.0, 1.0, 1.0));
+
+	// add selected output block
+	ASSERT_EQ(VR_OK, SELECTED_OUTPUT(obj));
+
+	// run
+	obj.SetOutputFileOn(false);
+	obj.SetErrorFileOn(false);
+	obj.SetLogFileOn(false);
+	obj.SetSelectedOutputFileOn(true);
+	obj.SetDumpFileOn(false);
+	ASSERT_EQ(0, obj.RunAccumulated());
+
+	ASSERT_EQ(11, obj.GetSelectedOutputColumnCount());
+	ASSERT_EQ(2, obj.GetSelectedOutputRowCount());
+}
+
+TEST(TestIPhreeqc, TestOutputFileOnOff)
+{
+#if defined(_WIN32)
+	int n = ::_fcloseall();
+	ASSERT_EQ(0, n);
+#endif
+
+	bool onoff[5];
+	onoff[0] = true;   // output_file_on
+	onoff[1] = false;  // error_file_on
+	onoff[2] = false;  // log_file_on
+	onoff[3] = false;  // selected_output_file_on
+	onoff[4] = false;  // dump_file_on
+	TestFileOnOff("phreeqc.%d.out", onoff[0], onoff[1], onoff[2], onoff[3], onoff[4]);
+}
+
+TEST(TestIPhreeqc, TestErrorFileOnOff)
+{
+	bool onoff[5];
+	onoff[0] = false;  // output_file_on
+	onoff[1] = true;   // error_file_on
+	onoff[2] = false;  // log_file_on
+	onoff[3] = false;  // selected_output_file_on
+	onoff[4] = false;  // dump_file_on
+	TestFileOnOff("phreeqc.%d.err", onoff[0], onoff[1], onoff[2], onoff[3], onoff[4]);
+}
+
+TEST(TestIPhreeqc, TestLogFileOnOff)
+{
+	bool onoff[5];
+	onoff[0] = false;  // output_file_on
+	onoff[1] = false;  // error_file_on
+	onoff[2] = true;   // log_file_on
+	onoff[3] = false;  // selected_output_file_on
+	onoff[4] = false;  // dump_file_on
+	TestFileOnOff("phreeqc.%d.log", onoff[0], onoff[1], onoff[2], onoff[3], onoff[4]);
+}
+
+TEST(TestIPhreeqc, TestDumpFileOnOff)
+{
+	bool onoff[5];
+	onoff[0] = false;  // output_file_on
+	onoff[1] = false;  // error_file_on
+	onoff[2] = false;  // log_file_on
+	onoff[3] = false;  // selected_output_file_on
+	onoff[4] = true;   // dump_file_on
+	TestFileOnOff("dump.%d.out", onoff[0], onoff[1], onoff[2], onoff[3], onoff[4]);
+}
+
+TEST(TestIPhreeqc, TestSelOutFileOnOff)
+{
+	bool onoff[5];
+	onoff[0] = false;  // output_file_on
+	onoff[1] = false;  // error_file_on
+	onoff[2] = false;  // log_file_on
+	onoff[3] = true;   // selected_output_file_on
+	onoff[4] = false;  // dump_file_on
+	TestFileOnOff("selected_1.%d.out", onoff[0], onoff[1], onoff[2], onoff[3], onoff[4]);
+}
+
+void TestFileOnOff(const char* FILENAME_FORMAT, bool output_file_on, bool error_file_on, bool log_file_on, bool selected_output_file_on, bool dump_file_on)
+{
+	IPhreeqc obj;
+
+	char FILENAME[80];
+	snprintf(FILENAME, sizeof(FILENAME), FILENAME_FORMAT, obj.GetId());
+
+	// remove FILENAME if it exists
+	//
+	if (::FileExists(FILENAME))
+	{
+		::DeleteFile(FILENAME);
+	}
+	ASSERT_EQ(false, ::FileExists(FILENAME));
+
+	ASSERT_EQ(0, obj.LoadDatabase("phreeqc.dat"));
+
+	// add solution block
+	ASSERT_EQ(VR_OK, SOLUTION(obj, 1.0, 1.0, 1.0));
+
+	// add selected output block
+	ASSERT_EQ(VR_OK, SELECTED_OUTPUT(obj));
+
+	// add dump block
+	ASSERT_EQ(VR_OK, DUMP(obj));
+
+	// run all off
+	obj.SetDumpFileOn(false);
+	obj.SetErrorFileOn(false);
+	obj.SetLogFileOn(false);
+	obj.SetOutputFileOn(false);
+	obj.SetSelectedOutputFileOn(false);
+	ASSERT_EQ(0, obj.RunAccumulated());
+	ASSERT_EQ(false, ::FileExists(FILENAME));
+
+
+
+	ASSERT_EQ(0, obj.LoadDatabase("phreeqc.dat"));
+
+	// add solution block
+	ASSERT_EQ(VR_OK, SOLUTION(obj, 1.0, 1.0, 1.0));
+
+	// add selected output block
+	ASSERT_EQ(VR_OK, SELECTED_OUTPUT(obj));
+
+	// add dump block
+	ASSERT_EQ(VR_OK, DUMP(obj));
+
+	// run
+	obj.SetDumpFileOn(dump_file_on);
+	obj.SetErrorFileOn(error_file_on);
+	obj.SetLogFileOn(log_file_on);
+	obj.SetOutputFileOn(output_file_on);
+	obj.SetSelectedOutputFileOn(selected_output_file_on);
+	ASSERT_EQ(0, obj.RunAccumulated());
+	ASSERT_EQ(true, ::FileExists(FILENAME));
+	ASSERT_TRUE(::DeleteFile(FILENAME));
+	ASSERT_EQ(0, obj.LoadDatabase("phreeqc.dat"));
+
+	// add solution block
+	ASSERT_EQ(VR_OK, SOLUTION(obj, 1.0, 1.0, 1.0));
+
+	// add selected output block
+	ASSERT_EQ(VR_OK, SELECTED_OUTPUT(obj));
+
+	// add dump block
+	ASSERT_EQ(VR_OK, DUMP(obj));
+
+	// run
+	obj.SetDumpFileOn(false);
+	obj.SetErrorFileOn(false);
+	obj.SetLogFileOn(false);
+	obj.SetOutputFileOn(false);
+	obj.SetSelectedOutputFileOn(false);
+	ASSERT_EQ(0, obj.RunAccumulated());
+	ASSERT_EQ(false, ::FileExists(FILENAME));
+
+	ASSERT_EQ(0, obj.LoadDatabase("phreeqc.dat"));
+
+	// add solution block
+	ASSERT_EQ(VR_OK, SOLUTION(obj, 1.0, 1.0, 1.0));
+
+	// add selected output block
+	ASSERT_EQ(VR_OK, SELECTED_OUTPUT(obj));
+
+	// add dump block
+	ASSERT_EQ(VR_OK, DUMP(obj));
+
+	// run
+	obj.SetDumpFileOn(dump_file_on);
+	obj.SetErrorFileOn(error_file_on);
+	obj.SetLogFileOn(log_file_on);
+	obj.SetOutputFileOn(output_file_on);
+	obj.SetSelectedOutputFileOn(selected_output_file_on);
+	ASSERT_EQ(0, obj.RunAccumulated());
+	ASSERT_EQ(true, ::FileExists(FILENAME));
+	ASSERT_TRUE(::DeleteFile(FILENAME));
+}
+
+VRESULT
+SOLUTION(IPhreeqc& obj, double C, double Ca, double Na)
+{
+	std::ostringstream oss;
+
+	oss << "SOLUTION 1\n";
+	oss << "C " << C << "\n";
+	oss << "Ca " << Ca << "\n";
+	oss << "Na " << Na << "\n";
+
+	return obj.AccumulateLine(oss.str().c_str());
+}
+
+VRESULT
+EQUILIBRIUM_PHASES(IPhreeqc& obj, const char* phase, double si, double amount)
+{
+	std::ostringstream oss;
+
+	oss << "EQUILIBRIUM_PHASES\n";
+	oss << phase << " " << si << " " << amount << "\n";
+	return obj.AccumulateLine(oss.str().c_str());
+}
+
+VRESULT
+USER_PUNCH(IPhreeqc& obj, const char* element, int max)
+{
+	std::ostringstream oss;
+
+	oss << "USER_PUNCH\n";
+
+	oss << "-head ";
+	for (int i = 1; i <= max; ++i)
+	{
+		oss << i << ".name " << i << ".type " << i << ".moles ";
+	}
+	oss << "\n";
+	oss << "-start" << "\n";
+	oss << "10 n = sys(\"" << element << "\"" << ", count, names$, types$, moles)" << "\n";
+	oss << "20 n = " << max << "\n";
+	oss << "30 if count < " << max << " then n = count" << "\n";
+	oss << "40 for i = 1 to n" << "\n";
+	oss << "50 PUNCH names$(i), types$(i), moles(i)" << "\n";
+	oss << "60 next i" << "\n";
+	oss << "70 list" << "\n";
+	oss << "-end" << "\n";
+	oss << "SELECTED_OUTPUT" << "\n";
+	oss << "-totals C Ca Na" << "\n";
+	oss << "-molalities CO3-2  CaOH+  NaCO3-" << "\n";
+	oss << "-activities CO3-2  CaOH+  NaCO3-" << "\n";
+	oss << "-equilibrium_phases Calcite" << "\n";
+	oss << "-saturation_indices CO2(g) Siderite" << "\n";
+	oss << "-gases CO2(g) N2(g)" << "\n";
+	oss << "-kinetic_reactants Albite Pyrite" << "\n";
+	oss << "-solid_solutions CaSO4 SrSO4" << "\n";
+
+	return obj.AccumulateLine(oss.str().c_str());
+}
+
+VRESULT
+USER_PUNCH_NEH(IPhreeqc& obj)
+{
+	std::ostringstream oss;
+
+	oss << "USER_PUNCH\n";
+
+	oss << "-head head0 head1 head2\n";
+	oss << "-start" << "\n";
+	oss << "10 PUNCH \"have0\", \"have1\", \"have2\"" << "\n";
+	oss << "20 PUNCH \"missing0\", \"missing1\", \"missing2\"" << "\n";
+	oss << "-end" << "\n";
+	oss << "SELECTED_OUTPUT" << "\n";
+	oss << "-totals C Ca Na" << "\n";
+	oss << "-molalities CO3-2  CaOH+  NaCO3-" << "\n";
+	oss << "-activities CO3-2  CaOH+  NaCO3-" << "\n";
+	oss << "-equilibrium_phases Calcite" << "\n";
+	oss << "-saturation_indices CO2(g) Siderite" << "\n";
+	oss << "-gases CO2(g) N2(g)" << "\n";
+	oss << "-kinetic_reactants Albite Pyrite" << "\n";
+	oss << "-solid_solutions CaSO4 SrSO4" << "\n";
+
+	return obj.AccumulateLine(oss.str().c_str());
+}
+
+VRESULT
+SELECTED_OUTPUT(IPhreeqc& obj)
+{
+	std::ostringstream oss;
+
+	oss << "SELECTED_OUTPUT" << "\n";
+	oss << "-totals C Ca Na" << "\n";
+
+	return obj.AccumulateLine(oss.str().c_str());
+}
+
+VRESULT
+DUMP(IPhreeqc& obj)
+{
+	std::ostringstream oss;
+	oss << "DUMP" << "\n";
+	oss << "-solution 1" << "\n";
+	return obj.AccumulateLine(oss.str().c_str());
+}
+
+TEST(TestIPhreeqc, TestLongHeadings)
+{
+	char long_header[] = "this_is_a_long_header_0123456789012345678901234567890123456789";
+	char long_value[] = "this_is_a_long_value_01234567890123456789012345678901234567890";
+
+	IPhreeqc obj;
+
+	ASSERT_EQ(0, obj.LoadDatabase("phreeqc.dat"));
+
+	std::ostringstream oss;
+	oss << "SOLUTION" << "\n";
+
+	oss << "SELECTED_OUTPUT" << "\n";
+	oss << "-reset false" << "\n";
+
+	oss << "USER_PUNCH" << "\n";
+	oss << "-head " << long_header << "\n";
+	oss << "-start" << "\n";
+	oss << "10 PUNCH \"" << long_value << "\"\n";
+	oss << "-end" << "\n";
+	ASSERT_EQ(VR_OK, obj.AccumulateLine(oss.str().c_str()));
+
+	// COMMENT: {10/30/2013 10:39:40 PM}	//{{
+	// COMMENT: {10/30/2013 10:39:40 PM}	ASSERT_EQ( VR_OK, obj.AccumulateLine("END") );
+	// COMMENT: {10/30/2013 10:39:40 PM}	oss << "SELECTED_OUTPUT" << "\n";
+	// COMMENT: {10/30/2013 10:39:40 PM}	oss << "-reset false" << "\n";
+	// COMMENT: {10/30/2013 10:39:40 PM}
+	// COMMENT: {10/30/2013 10:39:40 PM}	oss << "USER_PUNCH" << "\n";
+	// COMMENT: {10/30/2013 10:39:40 PM}	oss << "-head " <<  long_header << "\n";
+	// COMMENT: {10/30/2013 10:39:40 PM}	oss << "-start" << "\n";
+	// COMMENT: {10/30/2013 10:39:40 PM}	oss << "10 PUNCH \"" << long_value << "\"\n";
+	// COMMENT: {10/30/2013 10:39:40 PM}	oss << "-end" << "\n";
+	// COMMENT: {10/30/2013 10:39:40 PM}	ASSERT_EQ( VR_OK, obj.AccumulateLine(oss.str().c_str()) );
+	// COMMENT: {10/30/2013 10:39:40 PM}	//}}
+
+	obj.SetOutputFileOn(false);
+	obj.SetErrorFileOn(false);
+	obj.SetLogFileOn(false);
+	obj.SetSelectedOutputFileOn(false);
+	obj.SetDumpFileOn(false);
+	ASSERT_EQ(0, obj.RunAccumulated());
+
+	ASSERT_EQ(2, obj.GetSelectedOutputRowCount());
+	ASSERT_EQ(1, obj.GetSelectedOutputColumnCount());
+
+	CVar v;
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(0, 0, &v));
+	ASSERT_EQ(TT_STRING, v.type);
+	ASSERT_EQ(std::string(long_header), std::string(v.sVal));
+
+	CVar v1;
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(1, 0, &v1));
+	ASSERT_EQ(TT_STRING, v1.type);
+	ASSERT_EQ(std::string(long_value), std::string(v1.sVal));
+
+	ASSERT_EQ(VR_INVALIDCOL, obj.GetSelectedOutputValue(1, 1, &v1));
+	ASSERT_EQ(VR_INVALIDROW, obj.GetSelectedOutputValue(2, 0, &v1));
+}
+
+TEST(TestIPhreeqc, TestDatabaseKeyword)
+{
+	IPhreeqc obj;
+
+	ASSERT_EQ(0, obj.LoadDatabase("phreeqc.dat"));
+	obj.SetOutputFileOn(false);
+	obj.SetErrorFileOn(false);
+	obj.SetLogFileOn(false);
+	obj.SetSelectedOutputFileOn(false);
+	obj.SetDumpFileOn(false);
+	ASSERT_EQ(1, obj.RunFile("dump"));
+
+	const char* expected =
+		"ERROR: Gas not found in PHASES database, Amm(g).\n"
+		"ERROR: Calculations terminating due to input errors.\n";
+
+	const char* err = obj.GetErrorString();
+	ASSERT_EQ(std::string(expected), std::string(err));
+
+	const char* exp_warn =
+		"WARNING: DATABASE keyword is ignored by IPhreeqc.\n"
+		"WARNING: Cell-lengths were read for 1 cells. Last value is used till cell 100.\n"
+		"WARNING: No dispersivities were read; disp = 0 assumed.\n"
+		"WARNING: Could not find element in database, Amm.\n"
+		"	Concentration is set to zero.\n";
+
+	const char* warn = obj.GetWarningString();
+	ASSERT_EQ(std::string(exp_warn), std::string(warn));
+}
+
+TEST(TestIPhreeqc, TestDumpString)
+{
+	IPhreeqc obj;
+
+	ASSERT_EQ(0, obj.LoadDatabase("phreeqc.dat"));
+
+	// add solution block
+	ASSERT_EQ(VR_OK, SOLUTION(obj, 1.0, 1.0, 1.0));
+
+	// add dump block
+	ASSERT_EQ(VR_OK, DUMP(obj));
+
+	// run
+	obj.SetOutputFileOn(false);
+	obj.SetErrorFileOn(false);
+	obj.SetLogFileOn(false);
+	obj.SetSelectedOutputFileOn(false);
+	obj.SetDumpFileOn(false);
+	obj.SetDumpStringOn(true);
+	ASSERT_EQ(0, obj.RunAccumulated());
+
+	const char* dump_str = obj.GetDumpString();
+
+	ASSERT_TRUE(::strstr(dump_str, "SOLUTION_RAW") != NULL);
+	ASSERT_TRUE(::strstr(dump_str, "-temp") != NULL);
+	ASSERT_TRUE(::strstr(dump_str, "-total_h") != NULL);
+	ASSERT_TRUE(::strstr(dump_str, "-total_o") != NULL);
+	ASSERT_TRUE(::strstr(dump_str, "-cb") != NULL);
+	ASSERT_TRUE(::strstr(dump_str, "-totals") != NULL);
+	ASSERT_TRUE(::strstr(dump_str, " C(4) ") != NULL);
+	ASSERT_TRUE(::strstr(dump_str, " Ca ") != NULL);
+	ASSERT_TRUE(::strstr(dump_str, " H(0) ") != NULL);
+	ASSERT_TRUE(::strstr(dump_str, " Na ") != NULL);
+	ASSERT_TRUE(::strstr(dump_str, "-pH") != NULL);
+	ASSERT_TRUE(::strstr(dump_str, "-pe") != NULL);
+	ASSERT_TRUE(::strstr(dump_str, "-mu") != NULL);
+	ASSERT_TRUE(::strstr(dump_str, "-ah2o") != NULL);
+	ASSERT_TRUE(::strstr(dump_str, "-mass_water") != NULL);
+	ASSERT_TRUE(::strstr(dump_str, "-total_alkalinity") != NULL);
+	ASSERT_TRUE(::strstr(dump_str, "-activities") != NULL);
+	ASSERT_TRUE(::strstr(dump_str, " C(-4) ") != NULL);
+	ASSERT_TRUE(::strstr(dump_str, " C(4) ") != NULL);
+	ASSERT_TRUE(::strstr(dump_str, " Ca ") != NULL);
+	ASSERT_TRUE(::strstr(dump_str, " E ") != NULL);
+	ASSERT_TRUE(::strstr(dump_str, " H(0) ") != NULL);
+	ASSERT_TRUE(::strstr(dump_str, " Na ") != NULL);
+	ASSERT_TRUE(::strstr(dump_str, " O(0) ") != NULL);
+	ASSERT_TRUE(::strstr(dump_str, "-gammas") != NULL);
+	ASSERT_TRUE(::strstr(dump_str, "USE mix none") != NULL);
+	ASSERT_TRUE(::strstr(dump_str, "USE reaction none") != NULL);
+	ASSERT_TRUE(::strstr(dump_str, "USE reaction_temperature none") != NULL);
+	ASSERT_TRUE(::strstr(dump_str, "USE reaction_pressure none") != NULL);
+}
+
+TEST(TestIPhreeqc, TestGetDumpStringLineCount)
+{
+	IPhreeqc obj;
+
+	ASSERT_EQ(0, obj.LoadDatabase("phreeqc.dat"));
+
+	// add solution block
+	ASSERT_EQ(VR_OK, ::SOLUTION(obj, 1.0, 1.0, 1.0));
+
+	// add dump block
+	ASSERT_EQ(VR_OK, ::DUMP(obj));
+
+	// run
+	ASSERT_EQ(false, obj.GetOutputFileOn());
+	ASSERT_EQ(false, obj.GetErrorFileOn());
+	ASSERT_EQ(false, obj.GetLogFileOn());
+	ASSERT_EQ(false, obj.GetSelectedOutputFileOn());
+	ASSERT_EQ(false, obj.GetDumpFileOn());
+	ASSERT_EQ(false, obj.GetDumpStringOn());
+	obj.SetDumpStringOn(true);
+	ASSERT_EQ(true, obj.GetDumpStringOn());
+	ASSERT_EQ(0, obj.RunAccumulated());
+	ASSERT_EQ(35, obj.GetDumpStringLineCount());
+}
+
+TEST(TestIPhreeqc, TestGetDumpStringLine)
+{
+	IPhreeqc obj;
+
+	ASSERT_EQ(0, obj.LoadDatabase("phreeqc.dat"));
+
+	// add solution block
+	ASSERT_EQ(VR_OK, ::SOLUTION(obj, 1.0, 1.0, 1.0));
+
+	// add dump block
+	ASSERT_EQ(VR_OK, ::DUMP(obj));
+
+	// run
+	ASSERT_EQ(false, obj.GetOutputFileOn());
+	ASSERT_EQ(false, obj.GetErrorFileOn());
+	ASSERT_EQ(false, obj.GetLogFileOn());
+	ASSERT_EQ(false, obj.GetSelectedOutputFileOn());
+	ASSERT_EQ(false, obj.GetDumpFileOn());
+	ASSERT_EQ(false, obj.GetDumpStringOn());
+
+	obj.SetDumpStringOn(true);
+	ASSERT_EQ(true, obj.GetDumpStringOn());
+	ASSERT_EQ(0, obj.RunAccumulated());
+	ASSERT_EQ(35, obj.GetDumpStringLineCount());
+
+	int line = 0;
+
+	EXPECT_THAT(obj.GetDumpStringLine(line++), HasSubstr("SOLUTION_RAW"));
+	EXPECT_THAT(obj.GetDumpStringLine(line++), HasSubstr("-temp"));
+	EXPECT_THAT(obj.GetDumpStringLine(line++), HasSubstr("-pressure"));
+	EXPECT_THAT(obj.GetDumpStringLine(line++), HasSubstr("-potential"));
+	EXPECT_THAT(obj.GetDumpStringLine(line++), HasSubstr("-total_h"));
+	EXPECT_THAT(obj.GetDumpStringLine(line++), HasSubstr("-total_o"));
+	EXPECT_THAT(obj.GetDumpStringLine(line++), HasSubstr("-cb"));
+	EXPECT_THAT(obj.GetDumpStringLine(line++), HasSubstr("-density"));
+	EXPECT_THAT(obj.GetDumpStringLine(line++), HasSubstr("-viscosity"));
+	EXPECT_THAT(obj.GetDumpStringLine(line++), HasSubstr("-viscos_0"));
+	EXPECT_THAT(obj.GetDumpStringLine(line++), HasSubstr("-totals"));
+	EXPECT_THAT(obj.GetDumpStringLine(line++), HasSubstr(" C(4) "));
+	EXPECT_THAT(obj.GetDumpStringLine(line++), HasSubstr(" Ca "));
+	EXPECT_THAT(obj.GetDumpStringLine(line++), HasSubstr(" H(0) "));
+	EXPECT_THAT(obj.GetDumpStringLine(line++), HasSubstr(" Na "));
+	EXPECT_THAT(obj.GetDumpStringLine(line++), HasSubstr("-pH"));
+	EXPECT_THAT(obj.GetDumpStringLine(line++), HasSubstr("-pe"));
+	EXPECT_THAT(obj.GetDumpStringLine(line++), HasSubstr("-mu"));
+	EXPECT_THAT(obj.GetDumpStringLine(line++), HasSubstr("-ah2o"));
+	EXPECT_THAT(obj.GetDumpStringLine(line++), HasSubstr("-mass_water"));
+	EXPECT_THAT(obj.GetDumpStringLine(line++), HasSubstr("-soln_vol"));
+	EXPECT_THAT(obj.GetDumpStringLine(line++), HasSubstr("-total_alkalinity"));
+	EXPECT_THAT(obj.GetDumpStringLine(line++), HasSubstr("-activities"));
+	EXPECT_THAT(obj.GetDumpStringLine(line++), HasSubstr(" C(-4) "));
+	EXPECT_THAT(obj.GetDumpStringLine(line++), HasSubstr(" C(4) "));
+	EXPECT_THAT(obj.GetDumpStringLine(line++), HasSubstr(" Ca "));
+	EXPECT_THAT(obj.GetDumpStringLine(line++), HasSubstr(" E "));
+	EXPECT_THAT(obj.GetDumpStringLine(line++), HasSubstr(" H(0) "));
+	EXPECT_THAT(obj.GetDumpStringLine(line++), HasSubstr(" Na "));
+	EXPECT_THAT(obj.GetDumpStringLine(line++), HasSubstr(" O(0) "));
+	EXPECT_THAT(obj.GetDumpStringLine(line++), HasSubstr("-gammas"));
+	EXPECT_THAT(obj.GetDumpStringLine(line++), HasSubstr("USE mix none"));
+	EXPECT_THAT(obj.GetDumpStringLine(line++), HasSubstr("USE reaction none"));
+	EXPECT_THAT(obj.GetDumpStringLine(line++), HasSubstr("USE reaction_temperature none"));
+	EXPECT_THAT(obj.GetDumpStringLine(line++), HasSubstr("USE reaction_pressure none"));
+
+	// remaining lines should be empty
+	ASSERT_EQ(std::string(""), std::string(obj.GetDumpStringLine(line++)));
+	ASSERT_EQ(std::string(""), std::string(obj.GetDumpStringLine(line++)));
+	ASSERT_EQ(std::string(""), std::string(obj.GetDumpStringLine(line++)));
+	ASSERT_EQ(std::string(""), std::string(obj.GetDumpStringLine(line++)));
+
+	// negative lines should be empty
+	ASSERT_EQ(std::string(""), std::string(obj.GetDumpStringLine(-1)));
+	ASSERT_EQ(std::string(""), std::string(obj.GetDumpStringLine(-2)));
+	ASSERT_EQ(std::string(""), std::string(obj.GetDumpStringLine(-3)));
+	ASSERT_EQ(std::string(""), std::string(obj.GetDumpStringLine(-4)));
+}
+
+TEST(TestIPhreeqc, TestGetComponentCount)
+{
+	IPhreeqc obj;
+
+	ASSERT_EQ(0, obj.LoadDatabase("phreeqc.dat"));
+
+	// add solution block
+	ASSERT_EQ(VR_OK, ::SOLUTION(obj, 1.0, 1.0, 1.0));
+
+	// run
+	ASSERT_EQ(false, obj.GetOutputFileOn());
+	ASSERT_EQ(false, obj.GetErrorFileOn());
+	ASSERT_EQ(false, obj.GetLogFileOn());
+	ASSERT_EQ(false, obj.GetSelectedOutputFileOn());
+	ASSERT_EQ(false, obj.GetDumpFileOn());
+	ASSERT_EQ(false, obj.GetDumpStringOn());
+	ASSERT_EQ(0, obj.RunAccumulated());
+	ASSERT_EQ((size_t)3, obj.GetComponentCount());
+}
+
+TEST(TestIPhreeqc, TestGetComponent)
+{
+	IPhreeqc obj;
+
+	ASSERT_EQ(0, obj.LoadDatabase("phreeqc.dat"));
+
+	// add solution block
+	ASSERT_EQ(VR_OK, ::SOLUTION(obj, 1.0, 1.0, 1.0));
+
+	// run
+	ASSERT_EQ(false, obj.GetOutputFileOn());
+	ASSERT_EQ(false, obj.GetErrorFileOn());
+	ASSERT_EQ(false, obj.GetLogFileOn());
+	ASSERT_EQ(false, obj.GetSelectedOutputFileOn());
+	ASSERT_EQ(false, obj.GetDumpFileOn());
+	ASSERT_EQ(false, obj.GetDumpStringOn());
+	ASSERT_EQ(0, obj.RunAccumulated());
+	ASSERT_EQ((size_t)3, obj.GetComponentCount());
+
+	ASSERT_EQ(std::string(""), std::string(obj.GetComponent(-2)));
+	ASSERT_EQ(std::string(""), std::string(obj.GetComponent(-1)));
+
+	ASSERT_EQ(std::string("C"), std::string(obj.GetComponent(0)));
+	ASSERT_EQ(std::string("Ca"), std::string(obj.GetComponent(1)));
+	ASSERT_EQ(std::string("Na"), std::string(obj.GetComponent(2)));
+
+	ASSERT_EQ(std::string(""), std::string(obj.GetComponent(3)));
+	ASSERT_EQ(std::string(""), std::string(obj.GetComponent(4)));
+	ASSERT_EQ(std::string(""), std::string(obj.GetComponent(5)));
+}
+
+TEST(TestIPhreeqc, TestListComponents)
+{
+	IPhreeqc obj;
+
+	ASSERT_EQ(0, obj.LoadDatabase("phreeqc.dat"));
+
+	// add solution block
+	ASSERT_EQ(VR_OK, ::SOLUTION(obj, 1.0, 1.0, 1.0));
+
+	// run
+	ASSERT_EQ(false, obj.GetOutputFileOn());
+	ASSERT_EQ(false, obj.GetErrorFileOn());
+	ASSERT_EQ(false, obj.GetLogFileOn());
+	ASSERT_EQ(false, obj.GetSelectedOutputFileOn());
+	ASSERT_EQ(false, obj.GetDumpFileOn());
+	ASSERT_EQ(false, obj.GetDumpStringOn());
+	ASSERT_EQ(0, obj.RunAccumulated());
+
+	std::list< std::string > comps = obj.ListComponents();
+	ASSERT_EQ((size_t)3, comps.size());
+
+	std::list< std::string >::iterator it = comps.begin();
+	ASSERT_EQ(std::string("C"), std::string((*it++)));
+	ASSERT_EQ(std::string("Ca"), std::string((*it++)));
+	ASSERT_EQ(std::string("Na"), std::string((*it++)));
+}
+
+TEST(TestIPhreeqc, TestSetDumpFileName)
+{
+	char DUMP_FILENAME[80];
+	snprintf(DUMP_FILENAME, sizeof(DUMP_FILENAME), "dump.%06d.out", ::rand());
+	if (::FileExists(DUMP_FILENAME))
+	{
+		::DeleteFile(DUMP_FILENAME);
+	}
+
+	IPhreeqc obj;
+
+	ASSERT_EQ(0, obj.LoadDatabase("phreeqc.dat"));
+
+	// add solution block
+	ASSERT_EQ(VR_OK, ::SOLUTION(obj, 1.0, 1.0, 1.0));
+
+	// add dump block
+	ASSERT_EQ(VR_OK, ::DUMP(obj));
+
+	// run
+	obj.SetOutputFileOn(false);
+	obj.SetErrorFileOn(false);
+	obj.SetLogFileOn(false);
+	obj.SetSelectedOutputFileOn(false);
+	obj.SetDumpStringOn(false);
+	obj.SetDumpFileOn(true);
+	obj.SetDumpFileName(DUMP_FILENAME);
+
+	ASSERT_EQ(0, obj.RunAccumulated());
+
+	ASSERT_EQ(true, ::FileExists(DUMP_FILENAME));
+
+	std::string lines[35];
+	std::ifstream ifs(DUMP_FILENAME);
+
+	size_t i = 0;
+	while (i < sizeof(lines) / sizeof(lines[0]) && std::getline(ifs, lines[i]))
+	{
+		++i;
+	}
+	ifs.close();
+
+	int line = 0;
+	EXPECT_THAT(lines[line++], HasSubstr("SOLUTION_RAW"));
+	EXPECT_THAT(lines[line++], HasSubstr("-temp"));
+	EXPECT_THAT(lines[line++], HasSubstr("-pressure"));
+	EXPECT_THAT(lines[line++], HasSubstr("-potential"));
+	EXPECT_THAT(lines[line++], HasSubstr("-total_h"));
+	EXPECT_THAT(lines[line++], HasSubstr("-total_o"));
+	EXPECT_THAT(lines[line++], HasSubstr("-cb"));
+	EXPECT_THAT(lines[line++], HasSubstr("-density"));
+	EXPECT_THAT(lines[line++], HasSubstr("-viscosity"));
+	EXPECT_THAT(lines[line++], HasSubstr("-viscos_0"));
+	EXPECT_THAT(lines[line++], HasSubstr("-totals"));
+	EXPECT_THAT(lines[line++], HasSubstr(" C(4) "));
+	EXPECT_THAT(lines[line++], HasSubstr(" Ca "));
+	EXPECT_THAT(lines[line++], HasSubstr(" H(0) "));
+	EXPECT_THAT(lines[line++], HasSubstr(" Na "));
+	EXPECT_THAT(lines[line++], HasSubstr("-pH"));
+	EXPECT_THAT(lines[line++], HasSubstr("-pe"));
+	EXPECT_THAT(lines[line++], HasSubstr("-mu"));
+	EXPECT_THAT(lines[line++], HasSubstr("-ah2o"));
+	EXPECT_THAT(lines[line++], HasSubstr("-mass_water"));
+	EXPECT_THAT(lines[line++], HasSubstr("-soln_vol"));
+	EXPECT_THAT(lines[line++], HasSubstr("-total_alkalinity"));
+	EXPECT_THAT(lines[line++], HasSubstr("-activities"));
+	EXPECT_THAT(lines[line++], HasSubstr(" C(-4) "));
+	EXPECT_THAT(lines[line++], HasSubstr(" C(4) "));
+	EXPECT_THAT(lines[line++], HasSubstr(" Ca "));
+	EXPECT_THAT(lines[line++], HasSubstr(" E "));
+	EXPECT_THAT(lines[line++], HasSubstr(" H(0) "));
+	EXPECT_THAT(lines[line++], HasSubstr(" Na "));
+	EXPECT_THAT(lines[line++], HasSubstr(" O(0) "));
+	EXPECT_THAT(lines[line++], HasSubstr("-gammas"));
+	EXPECT_THAT(lines[line++], HasSubstr("USE mix none"));
+	EXPECT_THAT(lines[line++], HasSubstr("USE reaction none"));
+	EXPECT_THAT(lines[line++], HasSubstr("USE reaction_temperature none"));
+	EXPECT_THAT(lines[line++], HasSubstr("USE reaction_pressure none"));
+
+	if (::FileExists(DUMP_FILENAME))
+	{
+		::DeleteFile(DUMP_FILENAME);
+	}
+}
+
+TEST(TestIPhreeqc, TestSetOutputFileName)
+{
+	char OUTPUT_FILENAME[80];
+	snprintf(OUTPUT_FILENAME, sizeof(OUTPUT_FILENAME), "output.%06d.out", ::rand());
+	if (::FileExists(OUTPUT_FILENAME))
+	{
+		::DeleteFile(OUTPUT_FILENAME);
+	}
+
+	IPhreeqc obj;
+
+	ASSERT_EQ(0, obj.LoadDatabase("phreeqc.dat.old"));
+
+	// add solution block
+	ASSERT_EQ(VR_OK, ::SOLUTION(obj, 1.0, 1.0, 1.0));
+
+	// add dump block
+	ASSERT_EQ(VR_OK, ::DUMP(obj));
+
+	// run
+	obj.SetOutputFileOn(true);
+	obj.SetErrorFileOn(false);
+	obj.SetLogFileOn(false);
+	obj.SetSelectedOutputFileOn(false);
+	obj.SetDumpStringOn(false);
+	obj.SetDumpFileOn(false);
+	obj.SetOutputFileName(OUTPUT_FILENAME);
+
+	ASSERT_EQ(0, obj.RunAccumulated());
+
+	ASSERT_EQ(true, ::FileExists(OUTPUT_FILENAME));
+
+	std::string lines[200];
+	std::ifstream ifs(OUTPUT_FILENAME);
+
+	size_t i = 0;
+	while (i < sizeof(lines) / sizeof(lines[0]) && std::getline(ifs, lines[i]))
+	{
+		++i;
+	}
+
+#ifndef TESTING
+	ASSERT_EQ((size_t)100, i);
+#else
+	ASSERT_EQ((size_t)96, i);
+#endif
+
+	int line = 0;
+
+	// it would be better to use:
+	// ASSERT_THAT(lines[line++], StartsWith("------------------------------------"));
+	// but seems to not work when BUILD_SHARED_LIBS is set gtest 1.8.1
+	// see aa178fd6fac2d1c0a867385538071031e2ddedde of gtest branch
+	//
+	EXPECT_THAT(lines[line++], HasSubstr("------------------------------------"));
+	EXPECT_THAT(lines[line++], HasSubstr("Reading input data for simulation 1."));
+	EXPECT_THAT(lines[line++], HasSubstr("------------------------------------"));
+	EXPECT_THAT(lines[line++], HasSubstr(""));
+	EXPECT_THAT(lines[line++], HasSubstr("	SOLUTION 1"));
+	EXPECT_THAT(lines[line++], HasSubstr("	C 1"));
+	EXPECT_THAT(lines[line++], HasSubstr("	Ca 1"));
+	EXPECT_THAT(lines[line++], HasSubstr("	Na 1"));
+	EXPECT_THAT(lines[line++], HasSubstr("	DUMP"));
+	EXPECT_THAT(lines[line++], HasSubstr("	-solution 1"));
+	EXPECT_THAT(lines[line++], HasSubstr("-------------------------------------------"));
+	EXPECT_THAT(lines[line++], HasSubstr("Beginning of initial solution calculations."));
+	EXPECT_THAT(lines[line++], HasSubstr("-------------------------------------------"));
+	EXPECT_THAT(lines[line++], HasSubstr(""));
+	EXPECT_THAT(lines[line++], HasSubstr("Initial solution 1.	"));
+	EXPECT_THAT(lines[line++], HasSubstr(""));
+	EXPECT_THAT(lines[line++], HasSubstr("-----------------------------Solution composition--------"));
+	EXPECT_THAT(lines[line++], HasSubstr(""));
+	EXPECT_THAT(lines[line++], HasSubstr("	Elements           Molality       Moles"));
+	EXPECT_THAT(lines[line++], HasSubstr(""));
+	EXPECT_THAT(lines[line++], HasSubstr("	C                "));
+	EXPECT_THAT(lines[line++], HasSubstr("	Ca               "));
+	EXPECT_THAT(lines[line++], HasSubstr("	Na               "));
+	EXPECT_THAT(lines[line++], HasSubstr(""));
+	EXPECT_THAT(lines[line++], HasSubstr("----------------------------Description of solution------"));
+	EXPECT_THAT(lines[line++], HasSubstr(""));
+	EXPECT_THAT(lines[line++], HasSubstr("                                       pH  =  "));
+	EXPECT_THAT(lines[line++], HasSubstr("                                       pe  =  "));
+	EXPECT_THAT(lines[line++], HasSubstr("                        Activity of water  =  "));
+	EXPECT_THAT(lines[line++], HasSubstr("                 Ionic strength (mol/kgw)  =  "));
+	EXPECT_THAT(lines[line++], HasSubstr("                       Mass of water (kg)  =  "));
+	EXPECT_THAT(lines[line++], HasSubstr("                 Total alkalinity (eq/kg)  =  "));
+	EXPECT_THAT(lines[line++], HasSubstr("                       Total CO2 (mol/kg)  =  "));
+	EXPECT_THAT(lines[line++], HasSubstr("                         Temperature (°C)  =  "));
+	EXPECT_THAT(lines[line++], HasSubstr("                  Electrical balance (eq)  =  "));
+	EXPECT_THAT(lines[line++], HasSubstr(" Percent error, 100*(Cat-|An|)/(Cat+|An|)  =  "));
+	EXPECT_THAT(lines[line++], HasSubstr("                               Iterations  =  "));
+	EXPECT_THAT(lines[line++], HasSubstr("                                  Total H  = "));
+	EXPECT_THAT(lines[line++], HasSubstr("                                  Total O  = "));
+	EXPECT_THAT(lines[line++], HasSubstr(""));
+	EXPECT_THAT(lines[line++], HasSubstr("----------------------------Distribution of species----------------------------"));
+	EXPECT_THAT(lines[line++], HasSubstr(""));
+	EXPECT_THAT(lines[line++], HasSubstr("                                               Log       Log       Log    mole V"));
+	EXPECT_THAT(lines[line++], HasSubstr("   Species          Molality    Activity  Molality  Activity     Gamma   cm³/mol"));
+	EXPECT_THAT(lines[line++], HasSubstr(""));
+	EXPECT_THAT(lines[line++], HasSubstr("   OH- "));
+	EXPECT_THAT(lines[line++], HasSubstr("   H+ "));
+	EXPECT_THAT(lines[line++], HasSubstr("   H2O "));
+	EXPECT_THAT(lines[line++], HasSubstr("C(-4) "));
+	EXPECT_THAT(lines[line++], HasSubstr("   CH4 "));
+	EXPECT_THAT(lines[line++], HasSubstr("C(4) "));
+	EXPECT_THAT(lines[line++], HasSubstr("   HCO3- "));
+	EXPECT_THAT(lines[line++], HasSubstr("   CO2 "));
+	EXPECT_THAT(lines[line++], HasSubstr("   CaHCO3+ "));
+	EXPECT_THAT(lines[line++], HasSubstr("   CaCO3 "));
+	EXPECT_THAT(lines[line++], HasSubstr("   CO3-2 "));
+	EXPECT_THAT(lines[line++], HasSubstr("   NaHCO3 "));
+	EXPECT_THAT(lines[line++], HasSubstr("   NaCO3- "));
+	EXPECT_THAT(lines[line++], HasSubstr("Ca "));
+	EXPECT_THAT(lines[line++], HasSubstr("   Ca+2 "));
+	EXPECT_THAT(lines[line++], HasSubstr("   CaHCO3+ "));
+	EXPECT_THAT(lines[line++], HasSubstr("   CaCO3 "));
+	EXPECT_THAT(lines[line++], HasSubstr("   CaOH+ "));
+	EXPECT_THAT(lines[line++], HasSubstr("H(0) "));
+	EXPECT_THAT(lines[line++], HasSubstr("   H2 "));
+	EXPECT_THAT(lines[line++], HasSubstr("Na "));
+	EXPECT_THAT(lines[line++], HasSubstr("   Na+ "));
+	EXPECT_THAT(lines[line++], HasSubstr("   NaHCO3 "));
+	EXPECT_THAT(lines[line++], HasSubstr("   NaCO3- "));
+	EXPECT_THAT(lines[line++], HasSubstr("   NaOH "));
+	EXPECT_THAT(lines[line++], HasSubstr("O(0) "));
+	EXPECT_THAT(lines[line++], HasSubstr("   O2 "));
+	EXPECT_THAT(lines[line++], HasSubstr(""));
+	EXPECT_THAT(lines[line++], HasSubstr("------------------------------Saturation indices-------------------------------"));
+	EXPECT_THAT(lines[line++], HasSubstr(""));
+	EXPECT_THAT(lines[line++], HasSubstr("  Phase               SI** log IAP   log K(298 K,   1 atm)"));
+	EXPECT_THAT(lines[line++], HasSubstr(""));
+	EXPECT_THAT(lines[line++], HasSubstr("  Aragonite"));
+	EXPECT_THAT(lines[line++], HasSubstr("  Calcite"));
+	EXPECT_THAT(lines[line++], HasSubstr("  CH4(g)"));
+	EXPECT_THAT(lines[line++], HasSubstr("  CO2(g)"));
+	EXPECT_THAT(lines[line++], HasSubstr("  H2(g)"));
+	EXPECT_THAT(lines[line++], HasSubstr("  H2O(g)"));
+	EXPECT_THAT(lines[line++], HasSubstr("  O2(g)"));
+	EXPECT_THAT(lines[line++], HasSubstr(""));
+	EXPECT_THAT(lines[line++], HasSubstr("**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm."));
+	EXPECT_THAT(lines[line++], HasSubstr("  For ideal gases, phi = 1."));
+	EXPECT_THAT(lines[line++], HasSubstr(""));
+	EXPECT_THAT(lines[line++], HasSubstr("------------------"));
+	EXPECT_THAT(lines[line++], HasSubstr("End of simulation."));
+	EXPECT_THAT(lines[line++], HasSubstr("------------------"));
+	EXPECT_THAT(lines[line++], HasSubstr(""));
+	EXPECT_THAT(lines[line++], HasSubstr("------------------------------------"));
+	EXPECT_THAT(lines[line++], HasSubstr("Reading input data for simulation 2."));
+	EXPECT_THAT(lines[line++], HasSubstr("------------------------------------"));
+	EXPECT_THAT(lines[line++], HasSubstr(""));
+#ifndef TESTING
+	EXPECT_THAT(lines[line++], HasSubstr("----------------"));
+	EXPECT_THAT(lines[line++], HasSubstr("End of Run after "));
+	EXPECT_THAT(lines[line++], HasSubstr("----------------"));
+#endif
+	EXPECT_THAT(lines[line++], HasSubstr(""));
+	EXPECT_THAT(lines[line++], HasSubstr(""));
+	EXPECT_THAT(lines[line++], HasSubstr(""));
+	EXPECT_THAT(lines[line++], HasSubstr(""));
+
+
+	if (::FileExists(OUTPUT_FILENAME))
+	{
+		::DeleteFile(OUTPUT_FILENAME);
+	}
+}
+
+TEST(TestIPhreeqc, TestOutputStringOnOff)
+{
+	IPhreeqc obj;
+	ASSERT_EQ(false, obj.GetOutputStringOn());
+
+	obj.SetOutputStringOn(true);
+	ASSERT_EQ(true, obj.GetOutputStringOn());
+
+	obj.SetOutputStringOn(false);
+	ASSERT_EQ(false, obj.GetOutputStringOn());
+}
+
+TEST(TestIPhreeqc, TestGetOutputString)
+{
+	char OUTPUT_FILENAME[80];
+	snprintf(OUTPUT_FILENAME, sizeof(OUTPUT_FILENAME), "output.%06d.out", ::rand());
+	if (::FileExists(OUTPUT_FILENAME))
+	{
+		::DeleteFile(OUTPUT_FILENAME);
+	}
+	ASSERT_EQ(false, ::FileExists(OUTPUT_FILENAME));
+
+	IPhreeqc obj;
+
+	ASSERT_EQ(0, obj.LoadDatabase("phreeqc.dat"));
+
+	// add solution block
+	ASSERT_EQ(VR_OK, ::SOLUTION(obj, 1.0, 1.0, 1.0));
+
+	// add dump block
+	ASSERT_EQ(VR_OK, ::DUMP(obj));
+
+	// run
+	obj.SetOutputFileOn(true);
+	obj.SetOutputStringOn(true);
+
+	obj.SetErrorFileOn(false);
+	obj.SetLogFileOn(false);
+	obj.SetSelectedOutputFileOn(false);
+	obj.SetDumpStringOn(false);
+	obj.SetDumpFileOn(false);
+	obj.SetOutputFileName(OUTPUT_FILENAME);
+
+	ASSERT_EQ(0, obj.RunAccumulated());
+
+	ASSERT_EQ(true, ::FileExists(OUTPUT_FILENAME));
+
+	{
+		std::ifstream ifs(OUTPUT_FILENAME);
+		std::string fline((std::istreambuf_iterator<char>(ifs)), std::istreambuf_iterator<char>());
+
+		std::string sline(obj.GetOutputString());
+		ASSERT_TRUE(sline.size() > 0);
+
+		ASSERT_EQ(fline, sline);
+	}
+
+	if (::FileExists(OUTPUT_FILENAME))
+	{
+		::DeleteFile(OUTPUT_FILENAME);
+	}
+}
+
+TEST(TestIPhreeqc, TestGetOutputStringLineCount)
+{
+	IPhreeqc obj;
+	ASSERT_EQ(0, obj.GetOutputStringLineCount());
+
+	ASSERT_EQ(0, obj.LoadDatabase("phreeqc.dat.old"));
+
+	ASSERT_EQ(0, obj.GetOutputStringLineCount());
+
+	// add solution block
+	ASSERT_EQ(VR_OK, ::SOLUTION(obj, 1.0, 1.0, 1.0));
+
+	// add dump block
+	ASSERT_EQ(VR_OK, ::DUMP(obj));
+
+	// run
+	obj.SetOutputStringOn(false);
+	obj.SetOutputFileOn(false);
+	obj.SetErrorFileOn(false);
+	obj.SetLogFileOn(false);
+	obj.SetSelectedOutputFileOn(false);
+	obj.SetDumpStringOn(false);
+	obj.SetDumpFileOn(false);
+
+	ASSERT_EQ(0, obj.RunAccumulated());
+	ASSERT_EQ(0, obj.GetOutputStringLineCount());
+
+	// add solution block
+	ASSERT_EQ(VR_OK, ::SOLUTION(obj, 1.0, 1.0, 1.0));
+
+	// add dump block
+	ASSERT_EQ(VR_OK, ::DUMP(obj));
+
+	obj.SetOutputStringOn(true);
+
+	ASSERT_EQ(0, obj.RunAccumulated());
+#ifndef TESTING
+	ASSERT_EQ(100, obj.GetOutputStringLineCount());
+#else
+	ASSERT_EQ(96, obj.GetOutputStringLineCount());
+#endif
+
+
+	// add solution block
+	ASSERT_EQ(VR_OK, ::SOLUTION(obj, 1.0, 1.0, 1.0));
+
+	// add dump block
+	ASSERT_EQ(VR_OK, ::DUMP(obj));
+
+	obj.SetOutputStringOn(false);
+
+	ASSERT_EQ(0, obj.RunAccumulated());
+	ASSERT_EQ(0, obj.GetOutputStringLineCount());
+}
+
+TEST(TestIPhreeqc, TestGetOutputStringLine)
+{
+	IPhreeqc obj;
+	ASSERT_EQ(0, obj.GetOutputStringLineCount());
+
+	ASSERT_EQ(0, obj.LoadDatabase("phreeqc.dat.old"));
+
+	ASSERT_EQ(0, obj.GetOutputStringLineCount());
+
+	// add solution block
+	ASSERT_EQ(VR_OK, ::SOLUTION(obj, 1.0, 1.0, 1.0));
+
+	// add dump block
+	ASSERT_EQ(VR_OK, ::DUMP(obj));
+
+	// run
+	obj.SetOutputStringOn(false);
+	obj.SetOutputFileOn(false);
+	obj.SetErrorFileOn(false);
+	obj.SetLogFileOn(false);
+	obj.SetSelectedOutputFileOn(false);
+	obj.SetDumpStringOn(false);
+	obj.SetDumpFileOn(false);
+
+	ASSERT_EQ(0, obj.RunAccumulated());
+	ASSERT_EQ(0, obj.GetOutputStringLineCount());
+
+	int line = 0;
+	ASSERT_EQ(std::string(""), std::string(obj.GetOutputStringLine(line++)));
+	ASSERT_EQ(std::string(""), std::string(obj.GetOutputStringLine(line++)));
+	ASSERT_EQ(std::string(""), std::string(obj.GetOutputStringLine(line++)));
+	ASSERT_EQ(std::string(""), std::string(obj.GetOutputStringLine(line++)));
+
+	// negative lines should be empty
+	ASSERT_EQ(std::string(""), std::string(obj.GetOutputStringLine(-1)));
+	ASSERT_EQ(std::string(""), std::string(obj.GetOutputStringLine(-2)));
+	ASSERT_EQ(std::string(""), std::string(obj.GetOutputStringLine(-3)));
+	ASSERT_EQ(std::string(""), std::string(obj.GetOutputStringLine(-4)));
+
+	// add solution block
+	ASSERT_EQ(VR_OK, ::SOLUTION(obj, 1.0, 1.0, 1.0));
+
+	// add dump block
+	ASSERT_EQ(VR_OK, ::DUMP(obj));
+
+	obj.SetOutputStringOn(true);
+
+	ASSERT_EQ(0, obj.RunAccumulated());
+#ifndef TESTING
+	ASSERT_EQ(100, obj.GetOutputStringLineCount());
+#else
+	ASSERT_EQ(96, obj.GetOutputStringLineCount());
+#endif
+
+	ASSERT_EQ(std::string("------------------------------------"), std::string(obj.GetOutputStringLine(0)));
+	ASSERT_EQ(std::string("Reading input data for simulation 1."), std::string(obj.GetOutputStringLine(1)));
+	ASSERT_EQ(std::string("------------------------------------"), std::string(obj.GetOutputStringLine(2)));
+	ASSERT_EQ(std::string("-----------------------------Solution composition------------------------------"), std::string(obj.GetOutputStringLine(16)));
+	ASSERT_EQ(std::string("----------------------------Description of solution----------------------------"), std::string(obj.GetOutputStringLine(24)));
+	ASSERT_EQ(std::string("----------------------------Distribution of species----------------------------"), std::string(obj.GetOutputStringLine(40)));
+	ASSERT_EQ(std::string("------------------------------Saturation indices-------------------------------"), std::string(obj.GetOutputStringLine(73)));
+#ifndef TESTING
+	ASSERT_EQ(std::string("End of Run"), std::string(obj.GetOutputStringLine(97)).substr(0, 10));
+	ASSERT_EQ(std::string(""), std::string(obj.GetOutputStringLine(100)));
+#else
+	ASSERT_EQ(std::string(""), std::string(obj.GetOutputStringLine(96)));
+#endif
+
+	// add solution block
+	ASSERT_EQ(VR_OK, ::SOLUTION(obj, 1.0, 1.0, 1.0));
+
+	// add dump block
+	ASSERT_EQ(VR_OK, ::DUMP(obj));
+
+	obj.SetOutputStringOn(false);
+
+	ASSERT_EQ(0, obj.RunAccumulated());
+	ASSERT_EQ(0, obj.GetOutputStringLineCount());
+
+	line = 0;
+	ASSERT_EQ(std::string(""), std::string(obj.GetOutputStringLine(line++)));
+	ASSERT_EQ(std::string(""), std::string(obj.GetOutputStringLine(line++)));
+	ASSERT_EQ(std::string(""), std::string(obj.GetOutputStringLine(line++)));
+	ASSERT_EQ(std::string(""), std::string(obj.GetOutputStringLine(line++)));
+
+	// negative lines should be empty
+	ASSERT_EQ(std::string(""), std::string(obj.GetOutputStringLine(-1)));
+	ASSERT_EQ(std::string(""), std::string(obj.GetOutputStringLine(-2)));
+	ASSERT_EQ(std::string(""), std::string(obj.GetOutputStringLine(-3)));
+	ASSERT_EQ(std::string(""), std::string(obj.GetOutputStringLine(-4)));
+}
+
+TEST(TestIPhreeqc, TestSetLogFileName)
+{
+	char LOG_FILENAME[80];
+	snprintf(LOG_FILENAME, sizeof(LOG_FILENAME), "log.%06d.out", ::rand());
+	if (::FileExists(LOG_FILENAME))
+	{
+		::DeleteFile(LOG_FILENAME);
+	}
+
+	IPhreeqc obj;
+
+	ASSERT_EQ(0, obj.LoadDatabase("phreeqc.dat"));
+
+	// add solution block
+	ASSERT_EQ(VR_OK, ::SOLUTION(obj, 1.0, 1.0, 1.0));
+
+	// add dump block
+	ASSERT_EQ(VR_OK, ::DUMP(obj));
+
+	// add knobs
+	ASSERT_EQ(VR_OK, obj.AccumulateLine("KNOBS"));
+	ASSERT_EQ(VR_OK, obj.AccumulateLine("\t-logfile TRUE"));
+
+	// run
+	obj.SetLogFileOn(true);
+	obj.SetErrorFileOn(false);
+	obj.SetOutputFileOn(false);
+	obj.SetSelectedOutputFileOn(false);
+	obj.SetDumpStringOn(false);
+	obj.SetDumpFileOn(false);
+	obj.SetLogFileName(LOG_FILENAME);
+
+	ASSERT_EQ(0, obj.RunAccumulated());
+
+	ASSERT_EQ(true, ::FileExists(LOG_FILENAME));
+
+	std::string lines[33];
+	std::ifstream ifs(LOG_FILENAME);
+
+	size_t i = 0;
+	while (i < sizeof(lines) / sizeof(lines[0]) && std::getline(ifs, lines[i]))
+	{
+		++i;
+	}
+
+#ifndef TESTING
+	ASSERT_EQ((size_t)25, i);
+#else
+	ASSERT_EQ((size_t)21, i);
+#endif
+
+	int line = 0;
+	ASSERT_EQ(std::string("-------------------------------------------"), lines[line++]);
+	ASSERT_EQ(std::string("Beginning of initial solution calculations."), lines[line++]);
+	ASSERT_EQ(std::string("-------------------------------------------"), lines[line++]);
+	ASSERT_EQ(std::string(""), lines[line++]);
+	ASSERT_EQ(std::string("Initial solution 1.	"), lines[line++]);
+	ASSERT_EQ(std::string(""), lines[line++]);
+	ASSERT_EQ(std::string("Iterations in revise_guesses: 2"), lines[line++]);
+	ASSERT_EQ(std::string(""), lines[line++]);
+	ASSERT_EQ(std::string("Number of infeasible solutions: 0"), lines[line++]);
+	ASSERT_EQ(std::string("Number of basis changes: 0"), lines[line++]);
+	ASSERT_EQ(std::string(""), lines[line++]);
+	ASSERT_EQ(std::string("Number of iterations: 8"), lines[line++]);
+	ASSERT_EQ(std::string(""), lines[line++]);
+	ASSERT_EQ(std::string("------------------"), lines[line++]);
+	ASSERT_EQ(std::string("End of simulation."), lines[line++]);
+	ASSERT_EQ(std::string("------------------"), lines[line++]);
+	ASSERT_EQ(std::string(""), lines[line++]);
+	ASSERT_EQ(std::string("------------------------------------"), lines[line++]);
+	ASSERT_EQ(std::string("Reading input data for simulation 2."), lines[line++]);
+	ASSERT_EQ(std::string("------------------------------------"), lines[line++]);
+	ASSERT_EQ(std::string(""), lines[line++]);
+#ifndef TESTING
+	line++;
+	ASSERT_EQ(std::string("End of Run"), lines[line++].substr(0, 10));
+	line++;
+#endif
+	ASSERT_EQ(std::string(""), lines[line++]);
+
+	if (::FileExists(LOG_FILENAME))
+	{
+		::DeleteFile(LOG_FILENAME);
+	}
+}
+
+TEST(TestIPhreeqc, TestLogStringOnOff)
+{
+	IPhreeqc obj;
+	ASSERT_EQ(false, obj.GetLogStringOn());
+
+	obj.SetLogStringOn(true);
+	ASSERT_EQ(true, obj.GetLogStringOn());
+
+	obj.SetLogStringOn(false);
+	ASSERT_EQ(false, obj.GetLogStringOn());
+}
+
+TEST(TestIPhreeqc, TestGetLogString)
+{
+	char LOG_FILENAME[80];
+	snprintf(LOG_FILENAME, sizeof(LOG_FILENAME), "log.%06d.out", ::rand());
+	if (::FileExists(LOG_FILENAME))
+	{
+		::DeleteFile(LOG_FILENAME);
+	}
+	ASSERT_EQ(false, ::FileExists(LOG_FILENAME));
+
+	IPhreeqc obj;
+
+	ASSERT_EQ(0, obj.LoadDatabase("phreeqc.dat"));
+
+	// add solution block
+	ASSERT_EQ(VR_OK, ::SOLUTION(obj, 1.0, 1.0, 1.0));
+
+	// add dump block
+	ASSERT_EQ(VR_OK, ::DUMP(obj));
+
+	// add knobs
+	ASSERT_EQ(VR_OK, obj.AccumulateLine("KNOBS"));
+	ASSERT_EQ(VR_OK, obj.AccumulateLine("\t-logfile TRUE"));
+
+	// run
+	obj.SetLogFileOn(true);
+	obj.SetLogStringOn(true);
+
+	obj.SetDumpFileOn(false);
+	obj.SetDumpStringOn(false);
+	obj.SetErrorFileOn(false);
+	obj.SetOutputFileOn(false);
+	obj.SetOutputStringOn(false);
+	obj.SetSelectedOutputFileOn(false);
+
+	obj.SetLogFileName(LOG_FILENAME);
+
+	ASSERT_EQ(0, obj.RunAccumulated());
+
+	ASSERT_EQ(true, ::FileExists(LOG_FILENAME));
+
+	{
+		std::ifstream ifs(LOG_FILENAME);
+		std::string fline((std::istreambuf_iterator<char>(ifs)), std::istreambuf_iterator<char>());
+
+		std::string sline(obj.GetLogString());
+		ASSERT_TRUE(sline.size() > 0);
+
+		ASSERT_EQ(fline, sline);
+	}
+
+	if (::FileExists(LOG_FILENAME))
+	{
+		::DeleteFile(LOG_FILENAME);
+	}
+}
+
+TEST(TestIPhreeqc, TestGetLogStringLineCount)
+{
+	IPhreeqc obj;
+	ASSERT_EQ(0, obj.GetLogStringLineCount());
+
+	ASSERT_EQ(0, obj.LoadDatabase("phreeqc.dat"));
+
+	ASSERT_EQ(0, obj.GetLogStringLineCount());
+
+	// add solution block
+	ASSERT_EQ(VR_OK, ::SOLUTION(obj, 1.0, 1.0, 1.0));
+
+	// add dump block
+	ASSERT_EQ(VR_OK, ::DUMP(obj));
+
+	// add knobs
+	ASSERT_EQ(VR_OK, obj.AccumulateLine("KNOBS"));
+	ASSERT_EQ(VR_OK, obj.AccumulateLine("\t-logfile TRUE"));
+
+	// run
+	obj.SetLogStringOn(false);
+	obj.SetLogFileOn(false);
+	obj.SetErrorFileOn(false);
+	obj.SetOutputFileOn(false);
+	obj.SetSelectedOutputFileOn(false);
+	obj.SetDumpStringOn(false);
+	obj.SetDumpFileOn(false);
+
+	ASSERT_EQ(0, obj.RunAccumulated());
+	ASSERT_EQ(0, obj.GetLogStringLineCount());
+
+	// add solution block
+	ASSERT_EQ(VR_OK, ::SOLUTION(obj, 1.0, 1.0, 1.0));
+
+	// add dump block
+	ASSERT_EQ(VR_OK, ::DUMP(obj));
+
+	// add knobs
+	ASSERT_EQ(VR_OK, obj.AccumulateLine("KNOBS"));
+	ASSERT_EQ(VR_OK, obj.AccumulateLine("\t-logfile TRUE"));
+
+	obj.SetLogStringOn(true);
+
+	ASSERT_EQ(0, obj.RunAccumulated());
+#ifndef TESTING
+	ASSERT_EQ(29, obj.GetLogStringLineCount());
+#else
+	ASSERT_EQ(25, obj.GetLogStringLineCount());
+#endif
+
+	// add solution block
+	ASSERT_EQ(VR_OK, ::SOLUTION(obj, 1.0, 1.0, 1.0));
+
+	// add dump block
+	ASSERT_EQ(VR_OK, ::DUMP(obj));
+
+	// add knobs
+	ASSERT_EQ(VR_OK, obj.AccumulateLine("KNOBS"));
+	ASSERT_EQ(VR_OK, obj.AccumulateLine("\t-logfile TRUE"));
+
+	obj.SetLogStringOn(false);
+
+	ASSERT_EQ(0, obj.RunAccumulated());
+	ASSERT_EQ(0, obj.GetLogStringLineCount());
+}
+
+TEST(TestIPhreeqc, TestGetLogStringLine)
+{
+	IPhreeqc obj;
+	ASSERT_EQ(0, obj.GetLogStringLineCount());
+
+	ASSERT_EQ(0, obj.LoadDatabase("phreeqc.dat"));
+
+	ASSERT_EQ(0, obj.GetLogStringLineCount());
+
+	// add solution block
+	ASSERT_EQ(VR_OK, ::SOLUTION(obj, 1.0, 1.0, 1.0));
+
+	// add dump block
+	ASSERT_EQ(VR_OK, ::DUMP(obj));
+
+	// add knobs
+	ASSERT_EQ(VR_OK, obj.AccumulateLine("KNOBS"));
+	ASSERT_EQ(VR_OK, obj.AccumulateLine("\t-logfile TRUE"));
+
+	// run
+	obj.SetOutputStringOn(false);
+	obj.SetOutputFileOn(false);
+	obj.SetErrorFileOn(false);
+	obj.SetLogFileOn(false);
+	obj.SetSelectedOutputFileOn(false);
+	obj.SetDumpStringOn(false);
+	obj.SetDumpFileOn(false);
+
+	ASSERT_EQ(0, obj.RunAccumulated());
+	ASSERT_EQ(0, obj.GetLogStringLineCount());
+
+	int line = 0;
+	ASSERT_EQ(std::string(""), std::string(obj.GetLogStringLine(line++)));
+	ASSERT_EQ(std::string(""), std::string(obj.GetLogStringLine(line++)));
+	ASSERT_EQ(std::string(""), std::string(obj.GetLogStringLine(line++)));
+	ASSERT_EQ(std::string(""), std::string(obj.GetLogStringLine(line++)));
+
+	// negative lines should be empty
+	ASSERT_EQ(std::string(""), std::string(obj.GetLogStringLine(-1)));
+	ASSERT_EQ(std::string(""), std::string(obj.GetLogStringLine(-2)));
+	ASSERT_EQ(std::string(""), std::string(obj.GetLogStringLine(-3)));
+	ASSERT_EQ(std::string(""), std::string(obj.GetLogStringLine(-4)));
+
+	// add solution block
+	ASSERT_EQ(VR_OK, ::SOLUTION(obj, 1.0, 1.0, 1.0));
+
+	// add dump block
+	ASSERT_EQ(VR_OK, ::DUMP(obj));
+
+	// add knobs
+	ASSERT_EQ(VR_OK, obj.AccumulateLine("KNOBS"));
+	ASSERT_EQ(VR_OK, obj.AccumulateLine("\t-logfile TRUE"));
+
+	obj.SetLogStringOn(true);
+
+	ASSERT_EQ(0, obj.RunAccumulated());
+#ifndef TESTING
+	ASSERT_EQ(29, obj.GetLogStringLineCount());
+#else
+	ASSERT_EQ(25, obj.GetLogStringLineCount());
+#endif
+
+	line = 0;
+	ASSERT_EQ(std::string("------------------------------------"), std::string(obj.GetLogStringLine(line++)));
+	ASSERT_EQ(std::string("Reading input data for simulation 1."), std::string(obj.GetLogStringLine(line++)));
+	ASSERT_EQ(std::string("------------------------------------"), std::string(obj.GetLogStringLine(line++)));
+	ASSERT_EQ(std::string(""), std::string(obj.GetLogStringLine(line++)));
+	ASSERT_EQ(std::string("-------------------------------------------"), std::string(obj.GetLogStringLine(line++)));
+	ASSERT_EQ(std::string("Beginning of initial solution calculations."), std::string(obj.GetLogStringLine(line++)));
+	ASSERT_EQ(std::string("-------------------------------------------"), std::string(obj.GetLogStringLine(line++)));
+	ASSERT_EQ(std::string(""), std::string(obj.GetLogStringLine(line++)));
+	ASSERT_EQ(std::string("Initial solution 1.	"), std::string(obj.GetLogStringLine(line++)));
+	ASSERT_EQ(std::string(""), std::string(obj.GetLogStringLine(line++)));
+	ASSERT_EQ(std::string("Iterations in revise_guesses: 2"), std::string(obj.GetLogStringLine(line++)));
+	ASSERT_EQ(std::string(""), std::string(obj.GetLogStringLine(line++)));
+	ASSERT_EQ(std::string("Number of infeasible solutions: 0"), std::string(obj.GetLogStringLine(line++)));
+	ASSERT_EQ(std::string("Number of basis changes: 0"), std::string(obj.GetLogStringLine(line++)));
+	ASSERT_EQ(std::string(""), std::string(obj.GetLogStringLine(line++)));
+	ASSERT_EQ(std::string("Number of iterations: 8"), std::string(obj.GetLogStringLine(line++)));
+	ASSERT_EQ(std::string(""), std::string(obj.GetLogStringLine(line++)));
+	ASSERT_EQ(std::string("------------------"), std::string(obj.GetLogStringLine(line++)));
+	ASSERT_EQ(std::string("End of simulation."), std::string(obj.GetLogStringLine(line++)));
+	ASSERT_EQ(std::string("------------------"), std::string(obj.GetLogStringLine(line++)));
+	ASSERT_EQ(std::string(""), std::string(obj.GetLogStringLine(line++)));
+	ASSERT_EQ(std::string("------------------------------------"), std::string(obj.GetLogStringLine(line++)));
+	ASSERT_EQ(std::string("Reading input data for simulation 2."), std::string(obj.GetLogStringLine(line++)));
+	ASSERT_EQ(std::string("------------------------------------"), std::string(obj.GetLogStringLine(line++)));
+	ASSERT_EQ(std::string(""), std::string(obj.GetLogStringLine(line++)));
+#ifndef TESTING
+	ASSERT_EQ(std::string("----------"), std::string(obj.GetLogStringLine(line++)).substr(0, 10));
+	ASSERT_EQ(std::string("End of Run"), std::string(obj.GetLogStringLine(line++)).substr(0, 10));
+	ASSERT_EQ(std::string("----------"), std::string(obj.GetLogStringLine(line++)).substr(0, 10));
+#endif
+	ASSERT_EQ(std::string(""), std::string(obj.GetLogStringLine(line++)));
+
+	// add solution block
+	ASSERT_EQ(VR_OK, ::SOLUTION(obj, 1.0, 1.0, 1.0));
+
+	// add dump block
+	ASSERT_EQ(VR_OK, ::DUMP(obj));
+
+	// add knobs
+	ASSERT_EQ(VR_OK, obj.AccumulateLine("KNOBS"));
+	ASSERT_EQ(VR_OK, obj.AccumulateLine("\t-logfile TRUE"));
+
+	obj.SetLogStringOn(false);
+
+	ASSERT_EQ(0, obj.RunAccumulated());
+	ASSERT_EQ(0, obj.GetLogStringLineCount());
+
+	line = 0;
+	ASSERT_EQ(std::string(""), std::string(obj.GetLogStringLine(line++)));
+	ASSERT_EQ(std::string(""), std::string(obj.GetLogStringLine(line++)));
+	ASSERT_EQ(std::string(""), std::string(obj.GetLogStringLine(line++)));
+	ASSERT_EQ(std::string(""), std::string(obj.GetLogStringLine(line++)));
+
+	// negative lines should be empty
+	ASSERT_EQ(std::string(""), std::string(obj.GetLogStringLine(-1)));
+	ASSERT_EQ(std::string(""), std::string(obj.GetLogStringLine(-2)));
+	ASSERT_EQ(std::string(""), std::string(obj.GetLogStringLine(-3)));
+	ASSERT_EQ(std::string(""), std::string(obj.GetLogStringLine(-4)));
+}
+
+TEST(TestIPhreeqc, TestSetErrorFileName)
+{
+	char ERR_FILENAME[80];
+	snprintf(ERR_FILENAME, sizeof(ERR_FILENAME), "error.%s.out", "TestIPhreeqc-TestSetErrorFileName");
+	if (::FileExists(ERR_FILENAME))
+	{
+		::DeleteFile(ERR_FILENAME);
+	}
+
+	IPhreeqc obj;
+
+	ASSERT_EQ(0, obj.LoadDatabase("phreeqc.dat"));
+
+	ASSERT_EQ(VR_OK, obj.AccumulateLine("SOLUTION 1"));
+	ASSERT_EQ(VR_OK, obj.AccumulateLine("	pH	7"));
+	ASSERT_EQ(VR_OK, obj.AccumulateLine("	Na	1"));
+	ASSERT_EQ(VR_OK, obj.AccumulateLine("PHASES"));
+	ASSERT_EQ(VR_OK, obj.AccumulateLine("	Fix_H+"));
+	ASSERT_EQ(VR_OK, obj.AccumulateLine("	H+ = H+"));
+	ASSERT_EQ(VR_OK, obj.AccumulateLine("	log_k	0"));
+	ASSERT_EQ(VR_OK, obj.AccumulateLine("EQUILIBRIUM_PHASES"));
+	ASSERT_EQ(VR_OK, obj.AccumulateLine("	Fix_H+ -10 HCl	10"));
+	ASSERT_EQ(VR_OK, obj.AccumulateLine("END"));
+
+	// run
+	obj.SetErrorFileOn(true);
+	obj.SetLogFileOn(false);
+	obj.SetOutputFileOn(false);
+	obj.SetSelectedOutputFileOn(false);
+	obj.SetDumpStringOn(false);
+	obj.SetDumpFileOn(false);
+	obj.SetErrorFileName(ERR_FILENAME);
+
+	ASSERT_EQ(1, obj.RunAccumulated());
+
+	ASSERT_EQ(true, ::FileExists(ERR_FILENAME));
+
+	std::string lines[100];
+	{
+		std::ifstream ifs(ERR_FILENAME);
+
+		size_t i = 0;
+		while (i < sizeof(lines) / sizeof(lines[0]) && std::getline(ifs, lines[i % 100]))
+		{
+			++i;
+		}
+
+		ASSERT_EQ((size_t)90, i);
+	}
+
+	ASSERT_EQ(std::string("WARNING: Maximum iterations exceeded, 100"), lines[0]);
+	ASSERT_EQ(std::string("WARNING: Numerical method failed with this set of convergence parameters."), lines[2]);
+	ASSERT_EQ(std::string("ERROR: Numerical method failed on all combinations of convergence parameters, cell/soln/mix 1"), lines[88]);
+	ASSERT_EQ(std::string("Stopping."), lines[89]);
+
+	if (::FileExists(ERR_FILENAME))
+	{
+		::DeleteFile(ERR_FILENAME);
+	}
+}
+
+TEST(TestIPhreeqc, TestErrorStringOnOff)
+{
+	IPhreeqc obj;
+	ASSERT_EQ(true, obj.GetErrorStringOn());
+
+	obj.SetErrorStringOn(false);
+	ASSERT_EQ(false, obj.GetErrorStringOn());
+
+	obj.SetErrorStringOn(true);
+	ASSERT_EQ(true, obj.GetErrorStringOn());
+
+	obj.SetErrorStringOn(false);
+	ASSERT_EQ(false, obj.GetErrorStringOn());
+}
+
+TEST(TestIPhreeqc, TestGetErrorString)
+{
+	char ERR_FILENAME[80];
+	snprintf(ERR_FILENAME, sizeof(ERR_FILENAME), "error.%06d.out", ::rand());
+	if (::FileExists(ERR_FILENAME))
+	{
+		::DeleteFile(ERR_FILENAME);
+	}
+	ASSERT_EQ(false, ::FileExists(ERR_FILENAME));
+
+	IPhreeqc obj;
+
+	ASSERT_EQ(0, obj.LoadDatabase("phreeqc.dat"));
+
+	ASSERT_EQ(VR_OK, obj.AccumulateLine("SOLUTION 1"));
+	ASSERT_EQ(VR_OK, obj.AccumulateLine("	pH	7"));
+	ASSERT_EQ(VR_OK, obj.AccumulateLine("	Na	1"));
+	ASSERT_EQ(VR_OK, obj.AccumulateLine("PHASES"));
+	ASSERT_EQ(VR_OK, obj.AccumulateLine("	Fix_H+"));
+	ASSERT_EQ(VR_OK, obj.AccumulateLine("	H+ = H+"));
+	ASSERT_EQ(VR_OK, obj.AccumulateLine("	log_k	0"));
+	ASSERT_EQ(VR_OK, obj.AccumulateLine("EQUILIBRIUM_PHASES"));
+	ASSERT_EQ(VR_OK, obj.AccumulateLine("	Fix_H+ -10 HCl	10"));
+	ASSERT_EQ(VR_OK, obj.AccumulateLine("END"));
+
+	// run
+	obj.SetErrorFileOn(true);
+	obj.SetErrorStringOn(true);
+
+	obj.SetDumpFileOn(false);
+	obj.SetDumpStringOn(false);
+	obj.SetLogFileOn(false);
+	obj.SetOutputFileOn(false);
+	obj.SetOutputStringOn(false);
+	obj.SetSelectedOutputFileOn(false);
+
+	obj.SetErrorFileName(ERR_FILENAME);
+	ASSERT_EQ(std::string(ERR_FILENAME), std::string(obj.GetErrorFileName()));
+
+	ASSERT_EQ(1, obj.RunAccumulated());
+
+	ASSERT_EQ(std::string(ERR_FILENAME), std::string(obj.GetErrorFileName()));
+
+	ASSERT_EQ(true, ::FileExists(ERR_FILENAME));
+
+	{
+		std::string fline("ERROR: Numerical method failed on all combinations of convergence parameters, cell/soln/mix 1\n");
+
+		std::string sline(obj.GetErrorString());
+		ASSERT_TRUE(sline.size() > 0);
+
+		ASSERT_EQ(fline, sline);
+	}
+
+	if (::FileExists(ERR_FILENAME))
+	{
+		::DeleteFile(ERR_FILENAME);
+	}
+}
+
+TEST(TestIPhreeqc, TestGetErrorStringLineCount)
+{
+	IPhreeqc obj;
+
+	ASSERT_EQ(0, obj.GetErrorStringLineCount());
+
+	ASSERT_EQ(0, obj.LoadDatabase("phreeqc.dat"));
+
+	ASSERT_EQ(0, obj.GetErrorStringLineCount());
+
+	ASSERT_EQ(VR_OK, obj.AccumulateLine("SOLUTION 1"));
+	ASSERT_EQ(VR_OK, obj.AccumulateLine("	pH	7"));
+	ASSERT_EQ(VR_OK, obj.AccumulateLine("	Na	1"));
+	ASSERT_EQ(VR_OK, obj.AccumulateLine("PHASES"));
+	ASSERT_EQ(VR_OK, obj.AccumulateLine("	Fix_H+"));
+	ASSERT_EQ(VR_OK, obj.AccumulateLine("	H+ = H+"));
+	ASSERT_EQ(VR_OK, obj.AccumulateLine("	log_k	0"));
+	ASSERT_EQ(VR_OK, obj.AccumulateLine("EQUILIBRIUM_PHASES"));
+	ASSERT_EQ(VR_OK, obj.AccumulateLine("	Fix_H+ -10 HCl	10"));
+	ASSERT_EQ(VR_OK, obj.AccumulateLine("END"));
+
+	ASSERT_EQ(true, obj.GetErrorStringOn());
+	ASSERT_EQ(1, obj.RunAccumulated());
+	ASSERT_EQ(1, obj.GetErrorStringLineCount());
+
+	ASSERT_EQ(VR_OK, obj.AccumulateLine("SOLUTION 1"));
+	ASSERT_EQ(VR_OK, obj.AccumulateLine("	pH	7"));
+	ASSERT_EQ(VR_OK, obj.AccumulateLine("	Na	1"));
+	ASSERT_EQ(VR_OK, obj.AccumulateLine("PHASES"));
+	ASSERT_EQ(VR_OK, obj.AccumulateLine("	Fix_H+"));
+	ASSERT_EQ(VR_OK, obj.AccumulateLine("	H+ = H+"));
+	ASSERT_EQ(VR_OK, obj.AccumulateLine("	log_k	0"));
+	ASSERT_EQ(VR_OK, obj.AccumulateLine("EQUILIBRIUM_PHASES"));
+	ASSERT_EQ(VR_OK, obj.AccumulateLine("	Fix_H+ -10 HCl	10"));
+	ASSERT_EQ(VR_OK, obj.AccumulateLine("END"));
+
+	obj.SetErrorStringOn(true);
+	ASSERT_EQ(1, obj.RunAccumulated());
+	ASSERT_EQ(1, obj.GetErrorStringLineCount());
+
+	ASSERT_EQ(VR_OK, obj.AccumulateLine("SOLUTION 1"));
+	ASSERT_EQ(VR_OK, obj.AccumulateLine("	pH	7"));
+	ASSERT_EQ(VR_OK, obj.AccumulateLine("	Na	1"));
+	ASSERT_EQ(VR_OK, obj.AccumulateLine("PHASES"));
+	ASSERT_EQ(VR_OK, obj.AccumulateLine("	Fix_H+"));
+	ASSERT_EQ(VR_OK, obj.AccumulateLine("	H+ = H+"));
+	ASSERT_EQ(VR_OK, obj.AccumulateLine("	log_k	0"));
+	ASSERT_EQ(VR_OK, obj.AccumulateLine("EQUILIBRIUM_PHASES"));
+	ASSERT_EQ(VR_OK, obj.AccumulateLine("	Fix_H+ -10 HCl	10"));
+	ASSERT_EQ(VR_OK, obj.AccumulateLine("END"));
+
+	obj.SetErrorStringOn(false);
+	ASSERT_EQ(1, obj.RunAccumulated());
+	ASSERT_EQ(0, obj.GetErrorStringLineCount());
+}
+
+TEST(TestIPhreeqc, TestSetSelectedOutputFileName)
+{
+	char SELOUT_FILENAME[80];
+	snprintf(SELOUT_FILENAME, sizeof(SELOUT_FILENAME), "selected_output.%06d.out", ::rand());
+	if (::FileExists(SELOUT_FILENAME))
+	{
+		::DeleteFile(SELOUT_FILENAME);
+	}
+
+	IPhreeqc obj;
+
+	ASSERT_EQ(0, obj.LoadDatabase("llnl.dat"));
+
+	int max = 6;
+
+	ASSERT_EQ(VR_OK, ::SOLUTION(obj, 1.0, 1.0, 1.0));
+	ASSERT_EQ(VR_OK, ::EQUILIBRIUM_PHASES(obj, "calcite", 0.0, 0.010));
+	ASSERT_EQ(VR_OK, ::USER_PUNCH(obj, "Ca", max));
+
+	ASSERT_EQ(false, obj.GetOutputFileOn());
+	ASSERT_EQ(false, obj.GetErrorFileOn());
+	ASSERT_EQ(false, obj.GetLogFileOn());
+	ASSERT_EQ(false, obj.GetSelectedOutputFileOn());
+	ASSERT_EQ(false, obj.GetDumpFileOn());
+	ASSERT_EQ(false, obj.GetDumpStringOn());
+
+	obj.SetSelectedOutputFileOn(true);
+	obj.SetSelectedOutputFileName(SELOUT_FILENAME);
+
+	ASSERT_EQ(0, obj.RunAccumulated());
+
+	ASSERT_EQ(true, ::FileExists(SELOUT_FILENAME));
+
+	/*
+	EXPECTED selected.out:
+			 sim	       state	        soln	      dist_x	        time	        step	          pH	          pe	           C	          Ca	          Na	     m_CO3-2	     m_CaOH+	    m_NaCO3-	    la_CO3-2	    la_CaOH+	   la_NaCO3-	     Calcite	   d_Calcite	   si_CO2(g)	 si_Siderite	    pressure	   total mol	      volume	    g_CO2(g)	     g_N2(g)	    k_Albite	   dk_Albite	    k_Pyrite	   dk_Pyrite	     s_CaSO4	     s_SrSO4	      1.name	      1.type	     1.moles	      2.name	      2.type	     2.moles	      3.name	      3.type	     3.moles	      4.name	      4.type	     4.moles	      5.name	      5.type	     5.moles	      6.name	      6.type	     6.moles
+			   1	      i_soln	           1	         -99	         -99	         -99	           7	           4	 1.0000e-003	 1.0000e-003	 1.0000e-003	 4.2975e-007	 1.1819e-009	 1.1881e-009	-6.4686e+000	-8.9530e+000	-8.9507e+000	 0.0000e+000	 0.0000e+000	     -2.2870	   -999.9990	 0.0000e+000	 0.0000e+000	 0.0000e+000	 0.0000e+000	 0.0000e+000	 0.0000e+000	 0.0000e+000	 0.0000e+000	 0.0000e+000	 0.0000e+000	 0.0000e+000	        Ca+2	          aq	 9.9178e-004	     CaHCO3+	          aq	 7.5980e-006	       CaCO3	          aq	 6.2155e-007	       CaOH+	          aq	 1.1819e-009
+			   1	       react	           1	         -99	           0	           1	     7.86135	       10.18	 1.1556e-003	 1.1556e-003	 1.0000e-003	 4.2718e-006	 9.7385e-009	 1.1620e-008	-5.4781e+000	-8.0388e+000	-7.9621e+000	 9.8444e-003	-1.5555e-004	     -3.0192	   -999.9990	 0.0000e+000	 0.0000e+000	 0.0000e+000	 0.0000e+000	 0.0000e+000	 0.0000e+000	 0.0000e+000	 0.0000e+000	 0.0000e+000	 0.0000e+000	 0.0000e+000	     calcite	        equi	 9.8444e-003	        Ca+2	          aq	 1.1371e-003	     CaHCO3+	          aq	 1.1598e-005	       CaCO3	          aq	 6.8668e-006	       CaOH+	          aq	 9.7385e-009
+	*/
+
+	if (::FileExists(SELOUT_FILENAME))
+	{
+		::DeleteFile(SELOUT_FILENAME);
+	}
+}
+
+TEST(TestIPhreeqc, TestSelectedOutputStringOnOff)
+{
+	IPhreeqc obj;
+	ASSERT_EQ(false, obj.GetSelectedOutputFileOn());
+
+	obj.SetSelectedOutputFileOn(true);
+	ASSERT_EQ(true, obj.GetSelectedOutputFileOn());
+
+	obj.SetSelectedOutputFileOn(false);
+	ASSERT_EQ(false, obj.GetSelectedOutputFileOn());
+}
+
+TEST(TestIPhreeqc, TestGetSelectedOutputString)
+{
+	IPhreeqc obj;
+
+	ASSERT_EQ(0, obj.LoadDatabase("llnl.dat"));
+
+	int max = 6;
+
+	ASSERT_EQ(VR_OK, ::SOLUTION(obj, 1.0, 1.0, 1.0));
+	ASSERT_EQ(VR_OK, ::EQUILIBRIUM_PHASES(obj, "calcite", 0.0, 0.010));
+	ASSERT_EQ(VR_OK, ::USER_PUNCH(obj, "Ca", max));
+
+	ASSERT_EQ(false, obj.GetOutputFileOn());
+	ASSERT_EQ(false, obj.GetErrorFileOn());
+	ASSERT_EQ(false, obj.GetLogFileOn());
+	ASSERT_EQ(false, obj.GetSelectedOutputFileOn());
+	ASSERT_EQ(false, obj.GetDumpFileOn());
+	ASSERT_EQ(false, obj.GetDumpStringOn());
+
+	obj.SetSelectedOutputStringOn(true);
+
+	ASSERT_EQ(0, obj.RunAccumulated());
+
+	std::string sline(obj.GetSelectedOutputString());
+
+	EXPECT_THAT(sline.c_str(), HasSubstr("sim\t"));
+	EXPECT_THAT(sline.c_str(), HasSubstr("state\t"));
+	EXPECT_THAT(sline.c_str(), HasSubstr("soln\t"));
+	EXPECT_THAT(sline.c_str(), HasSubstr("dist_x\t"));
+	EXPECT_THAT(sline.c_str(), HasSubstr("time\t"));
+	EXPECT_THAT(sline.c_str(), HasSubstr("step\t"));
+	EXPECT_THAT(sline.c_str(), HasSubstr("pH\t"));
+	EXPECT_THAT(sline.c_str(), HasSubstr("pe\t"));
+	EXPECT_THAT(sline.c_str(), HasSubstr("C\t"));
+	EXPECT_THAT(sline.c_str(), HasSubstr("Ca\t"));
+	EXPECT_THAT(sline.c_str(), HasSubstr("Na\t"));
+	EXPECT_THAT(sline.c_str(), HasSubstr("m_CO3-2\t"));
+	EXPECT_THAT(sline.c_str(), HasSubstr("m_CaOH+\t"));
+	EXPECT_THAT(sline.c_str(), HasSubstr("m_NaCO3-\t"));
+	EXPECT_THAT(sline.c_str(), HasSubstr("la_CO3-2\t"));
+	EXPECT_THAT(sline.c_str(), HasSubstr("la_CaOH+\t"));
+	EXPECT_THAT(sline.c_str(), HasSubstr("la_NaCO3-\t"));
+	EXPECT_THAT(sline.c_str(), HasSubstr("Calcite\t"));
+	EXPECT_THAT(sline.c_str(), HasSubstr("d_Calcite\t"));
+	EXPECT_THAT(sline.c_str(), HasSubstr("si_CO2(g)\t"));
+	EXPECT_THAT(sline.c_str(), HasSubstr("si_Siderite\t"));
+	EXPECT_THAT(sline.c_str(), HasSubstr("pressure\t"));
+	EXPECT_THAT(sline.c_str(), HasSubstr("total mol\t"));
+	EXPECT_THAT(sline.c_str(), HasSubstr("volume\t"));
+	EXPECT_THAT(sline.c_str(), HasSubstr("g_CO2(g)\t"));
+	EXPECT_THAT(sline.c_str(), HasSubstr("g_N2(g)\t"));
+	EXPECT_THAT(sline.c_str(), HasSubstr("k_Albite\t"));
+	EXPECT_THAT(sline.c_str(), HasSubstr("dk_Albite\t"));
+	EXPECT_THAT(sline.c_str(), HasSubstr("k_Pyrite\t"));
+	EXPECT_THAT(sline.c_str(), HasSubstr("dk_Pyrite\t"));
+	EXPECT_THAT(sline.c_str(), HasSubstr("s_CaSO4\t"));
+	EXPECT_THAT(sline.c_str(), HasSubstr("s_SrSO4\t"));
+	EXPECT_THAT(sline.c_str(), HasSubstr("1.name\t"));
+	EXPECT_THAT(sline.c_str(), HasSubstr("1.type\t"));
+	EXPECT_THAT(sline.c_str(), HasSubstr("1.moles\t"));
+	EXPECT_THAT(sline.c_str(), HasSubstr("2.name\t"));
+	EXPECT_THAT(sline.c_str(), HasSubstr("2.type\t"));
+	EXPECT_THAT(sline.c_str(), HasSubstr("2.moles\t"));
+	EXPECT_THAT(sline.c_str(), HasSubstr("3.name\t"));
+	EXPECT_THAT(sline.c_str(), HasSubstr("3.type\t"));
+	EXPECT_THAT(sline.c_str(), HasSubstr("3.moles\t"));
+	EXPECT_THAT(sline.c_str(), HasSubstr("4.name\t"));
+	EXPECT_THAT(sline.c_str(), HasSubstr("4.type\t"));
+	EXPECT_THAT(sline.c_str(), HasSubstr("4.moles\t"));
+	EXPECT_THAT(sline.c_str(), HasSubstr("5.name\t"));
+	EXPECT_THAT(sline.c_str(), HasSubstr("5.type\t"));
+	EXPECT_THAT(sline.c_str(), HasSubstr("5.moles\t"));
+	EXPECT_THAT(sline.c_str(), HasSubstr("6.name\t"));
+	EXPECT_THAT(sline.c_str(), HasSubstr("6.type\t"));
+	EXPECT_THAT(sline.c_str(), HasSubstr("6.moles\t"));
+	EXPECT_THAT(sline.c_str(), HasSubstr("\n"));
+	EXPECT_THAT(sline.c_str(), HasSubstr("i_soln\t"));
+	EXPECT_THAT(sline.c_str(), HasSubstr("react\t"));
+	EXPECT_THAT(sline.c_str(), HasSubstr("Ca+2\t"));
+	EXPECT_THAT(sline.c_str(), HasSubstr("aq\t"));
+	EXPECT_THAT(sline.c_str(), HasSubstr("CaHCO3+\t"));
+	EXPECT_THAT(sline.c_str(), HasSubstr("CaCO3\t"));
+	EXPECT_THAT(sline.c_str(), HasSubstr("CaOH+\t"));
+	EXPECT_THAT(sline.c_str(), HasSubstr("Calcite\t"));
+	EXPECT_THAT(sline.c_str(), HasSubstr("equi\t"));
+}
+
+TEST(TestIPhreeqc, TestGetSelectedOutputStringLineCount)
+{
+	IPhreeqc obj;
+
+	ASSERT_EQ(false, obj.GetSelectedOutputFileOn());
+
+	ASSERT_EQ(0, obj.LoadDatabase("llnl.dat"));
+
+	ASSERT_EQ(false, obj.GetSelectedOutputFileOn());
+
+	int max = 6;
+
+	ASSERT_EQ(VR_OK, ::SOLUTION(obj, 1.0, 1.0, 1.0));
+	ASSERT_EQ(VR_OK, ::EQUILIBRIUM_PHASES(obj, "calcite", 0.0, 0.010));
+	ASSERT_EQ(VR_OK, ::USER_PUNCH(obj, "Ca", max));
+
+	ASSERT_EQ(false, obj.GetOutputFileOn());
+	ASSERT_EQ(false, obj.GetErrorFileOn());
+	ASSERT_EQ(false, obj.GetLogFileOn());
+	ASSERT_EQ(false, obj.GetSelectedOutputFileOn());
+	ASSERT_EQ(false, obj.GetDumpFileOn());
+	ASSERT_EQ(false, obj.GetDumpStringOn());
+
+	ASSERT_EQ(false, obj.GetSelectedOutputStringOn());
+	obj.SetSelectedOutputStringOn(true);
+	ASSERT_EQ(true, obj.GetSelectedOutputStringOn());
+
+	ASSERT_EQ(0, obj.RunAccumulated());
+
+	ASSERT_EQ(3, obj.GetSelectedOutputStringLineCount());
+}
+
+TEST(TestIPhreeqc, TestGetSelectedOutputStringLineCountMultipleRuns)
+{
+	IPhreeqc obj;
+	int retval = 0;
+
+	ASSERT_EQ(0, obj.LoadDatabase("llnl.dat"));
+	ASSERT_EQ(false, obj.GetSelectedOutputStringOn());
+	obj.SetSelectedOutputStringOn(true);
+	ASSERT_EQ(true, obj.GetSelectedOutputStringOn());
+
+	retval = obj.RunString(R"(
+		SOLUTION 1
+		C 1
+		Ca 1
+		Na 1
+
+		EQUILIBRIUM_PHASES
+		calcite 0 0.01
+
+		SELECTED_OUTPUT
+		-totals C Ca Na
+		)");
+	ASSERT_EQ(0, retval);
+
+	ASSERT_EQ(3, obj.GetSelectedOutputStringLineCount());		// header + i_soln + react
+
+	retval = obj.RunString(R"(
+		SOLUTION 1
+		C 2
+		Ca 2
+		Na 2
+		)");
+	ASSERT_EQ(0, retval);
+
+	ASSERT_EQ(2, obj.GetSelectedOutputStringLineCount());		// header + i_soln
+}
+
+TEST(TestIPhreeqc, TestSelectedOutputFileMultipleRuns)
+{
+	FileTest selout("TestSelectedOutputFileMultipleRuns.sel");
+	ASSERT_TRUE(selout.RemoveExisting());
+
+	IPhreeqc obj;
+	int retval = 0;
+
+	ASSERT_EQ(0, obj.LoadDatabase("llnl.dat"));
+
+	ASSERT_EQ(false, obj.GetSelectedOutputFileOn());
+	obj.SetSelectedOutputFileOn(true);
+	ASSERT_EQ(true, obj.GetSelectedOutputFileOn());
+
+	retval = obj.RunString(R"(
+		SOLUTION 1
+		C 1
+		Ca 1
+		Na 1
+
+		EQUILIBRIUM_PHASES
+		calcite 0 0.01
+
+		SELECTED_OUTPUT
+		-file TestSelectedOutputFileMultipleRuns.sel
+		-totals C Ca Na
+		)");
+	ASSERT_EQ(0, retval);
+
+	ASSERT_EQ(3, selout.LineCount());		// header + i_soln + react
+
+	retval = obj.RunString(R"(
+		SOLUTION 1
+		C 2
+		Ca 2
+		Na 2
+		)");
+	ASSERT_EQ(0, retval);
+
+	ASSERT_EQ(2, selout.LineCount());		// header + i_soln
+}
+
+TEST(TestIPhreeqc, TestGetSelectedOutputRowCountMultipleRuns)
+{
+	IPhreeqc obj;
+
+	ASSERT_EQ(0, obj.LoadDatabase("llnl.dat"));
+
+	obj.RunString(R"(
+		SOLUTION 1
+		C 1
+		Ca 1
+		Na 1
+
+		EQUILIBRIUM_PHASES
+		calcite 0 0.01
+
+		SELECTED_OUTPUT
+		-totals C Ca Na
+		)");
+
+	ASSERT_EQ(3, obj.GetSelectedOutputRowCount());		// header + i_soln + react
+
+	obj.RunString(R"(
+		SOLUTION 1
+		C 2
+		Ca 2
+		Na 2
+		)");
+	ASSERT_EQ(2, obj.GetSelectedOutputRowCount());		// header + i_soln
+}
+
+TEST(TestIPhreeqc, TestGetSelectedOutputStringLine)
+{
+	IPhreeqc obj;
+
+	ASSERT_EQ(false, obj.GetSelectedOutputFileOn());
+
+	ASSERT_EQ(0, obj.LoadDatabase("llnl.dat"));
+
+	ASSERT_EQ(false, obj.GetSelectedOutputFileOn());
+
+	int max = 6;
+
+	ASSERT_EQ(VR_OK, ::SOLUTION(obj, 1.0, 1.0, 1.0));
+	ASSERT_EQ(VR_OK, ::EQUILIBRIUM_PHASES(obj, "calcite", 0.0, 0.010));
+	ASSERT_EQ(VR_OK, ::USER_PUNCH(obj, "Ca", max));
+
+	ASSERT_EQ(false, obj.GetOutputFileOn());
+	ASSERT_EQ(false, obj.GetErrorFileOn());
+	ASSERT_EQ(false, obj.GetLogFileOn());
+	ASSERT_EQ(false, obj.GetSelectedOutputFileOn());
+	ASSERT_EQ(false, obj.GetDumpFileOn());
+	ASSERT_EQ(false, obj.GetDumpStringOn());
+
+	ASSERT_EQ(false, obj.GetSelectedOutputStringOn());
+
+	ASSERT_EQ(0, obj.RunAccumulated());
+	ASSERT_EQ(0, obj.GetSelectedOutputStringLineCount());
+
+	int line = 0;
+	ASSERT_EQ(std::string(""), std::string(obj.GetSelectedOutputStringLine(line++)));
+	ASSERT_EQ(std::string(""), std::string(obj.GetSelectedOutputStringLine(line++)));
+	ASSERT_EQ(std::string(""), std::string(obj.GetSelectedOutputStringLine(line++)));
+
+	// negative lines should be empty
+	ASSERT_EQ(std::string(""), std::string(obj.GetSelectedOutputStringLine(-1)));
+	ASSERT_EQ(std::string(""), std::string(obj.GetSelectedOutputStringLine(-2)));
+	ASSERT_EQ(std::string(""), std::string(obj.GetSelectedOutputStringLine(-3)));
+
+	ASSERT_EQ(VR_OK, ::SOLUTION(obj, 1.0, 1.0, 1.0));
+	ASSERT_EQ(VR_OK, ::EQUILIBRIUM_PHASES(obj, "calcite", 0.0, 0.010));
+	ASSERT_EQ(VR_OK, ::USER_PUNCH(obj, "Ca", max));
+
+	ASSERT_EQ(false, obj.GetSelectedOutputStringOn());
+	obj.SetSelectedOutputStringOn(true);
+	ASSERT_EQ(true, obj.GetSelectedOutputStringOn());
+
+	ASSERT_EQ(0, obj.RunAccumulated());
+	ASSERT_EQ(3, obj.GetSelectedOutputStringLineCount());
+
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(0), "sim\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(0), "state\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(0), "soln\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(0), "dist_x\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(0), "time\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(0), "step\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(0), "pH\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(0), "pe\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(0), "C\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(0), "Ca\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(0), "Na\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(0), "m_CO3-2\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(0), "m_CaOH+\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(0), "m_NaCO3-\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(0), "la_CO3-2\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(0), "la_CaOH+\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(0), "la_NaCO3-\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(0), "Calcite\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(0), "d_Calcite\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(0), "si_CO2(g)\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(0), "si_Siderite\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(0), "pressure\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(0), "total mol\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(0), "volume\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(0), "g_CO2(g)\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(0), "g_N2(g)\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(0), "k_Albite\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(0), "dk_Albite\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(0), "k_Pyrite\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(0), "dk_Pyrite\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(0), "s_CaSO4\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(0), "s_SrSO4\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(0), "1.name\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(0), "1.type\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(0), "1.moles\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(0), "2.name\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(0), "2.type\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(0), "2.moles\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(0), "3.name\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(0), "3.type\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(0), "3.moles\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(0), "4.name\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(0), "4.type\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(0), "4.moles\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(0), "5.name\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(0), "5.type\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(0), "5.moles\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(0), "6.name\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(0), "6.type\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(0), "6.moles\t") != NULL);
+
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(1), "i_soln\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(1), "Ca+2\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(1), "aq\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(1), "CaHCO3+\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(1), "CaCO3\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(1), "CaOH+\t") != NULL);
+
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(2), "react\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(2), "Calcite\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(2), "equi\t") != NULL);
+
+	// after obj.GetSelectedOutputStringLineCount() should be empty
+	ASSERT_EQ(std::string(""), std::string(obj.GetSelectedOutputStringLine(obj.GetSelectedOutputStringLineCount())));
+	ASSERT_EQ(std::string(""), std::string(obj.GetSelectedOutputStringLine(obj.GetSelectedOutputStringLineCount() + 1)));
+	ASSERT_EQ(std::string(""), std::string(obj.GetSelectedOutputStringLine(obj.GetSelectedOutputStringLineCount() + 2)));
+
+	// negative lines should be empty
+	ASSERT_EQ(std::string(""), std::string(obj.GetSelectedOutputStringLine(-1)));
+	ASSERT_EQ(std::string(""), std::string(obj.GetSelectedOutputStringLine(-2)));
+	ASSERT_EQ(std::string(""), std::string(obj.GetSelectedOutputStringLine(-3)));
+}
+
+TEST(TestIPhreeqc, TestGetSelectedOutputStringLineNotEnoughHeadings)
+{
+	IPhreeqc obj;
+
+	ASSERT_EQ(false, obj.GetSelectedOutputFileOn());
+
+	ASSERT_EQ(0, obj.LoadDatabase("llnl.dat"));
+
+	ASSERT_EQ(false, obj.GetSelectedOutputFileOn());
+
+	ASSERT_EQ(VR_OK, ::SOLUTION(obj, 1.0, 1.0, 1.0));
+	ASSERT_EQ(VR_OK, ::EQUILIBRIUM_PHASES(obj, "calcite", 0.0, 0.010));
+	ASSERT_EQ(VR_OK, ::USER_PUNCH_NEH(obj));
+
+	ASSERT_EQ(false, obj.GetOutputFileOn());
+	ASSERT_EQ(false, obj.GetErrorFileOn());
+	ASSERT_EQ(false, obj.GetLogFileOn());
+	ASSERT_EQ(false, obj.GetSelectedOutputFileOn());
+	ASSERT_EQ(false, obj.GetDumpFileOn());
+	ASSERT_EQ(false, obj.GetDumpStringOn());
+
+	ASSERT_EQ(false, obj.GetSelectedOutputStringOn() != 0);
+	obj.SetSelectedOutputStringOn(true);
+
+	ASSERT_EQ(0, obj.RunAccumulated());
+	ASSERT_EQ(3, obj.GetSelectedOutputStringLineCount());
+
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(0), "sim\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(0), "state\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(0), "soln\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(0), "dist_x\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(0), "time\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(0), "step\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(0), "pH\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(0), "pe\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(0), "C\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(0), "Ca\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(0), "Na\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(0), "m_CO3-2\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(0), "m_CaOH+\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(0), "m_NaCO3-\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(0), "la_CO3-2\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(0), "la_CaOH+\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(0), "la_NaCO3-\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(0), "Calcite\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(0), "d_Calcite\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(0), "si_CO2(g)\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(0), "si_Siderite\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(0), "pressure\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(0), "total mol\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(0), "volume\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(0), "g_CO2(g)\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(0), "g_N2(g)\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(0), "k_Albite\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(0), "dk_Albite\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(0), "k_Pyrite\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(0), "dk_Pyrite\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(0), "s_CaSO4\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(0), "s_SrSO4\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(0), "head0\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(0), "head1\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(0), "head2\t") != NULL);
+
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(1), "i_soln\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(1), "have0\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(1), "have1\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(1), "have2\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(1), "missing0\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(1), "missing2\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(1), "missing2\t") != NULL);
+
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(2), "react\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(2), "have0\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(2), "have1\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(2), "have2\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(2), "missing0\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(2), "missing2\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(2), "missing2\t") != NULL);
+
+	// after obj.GetSelectedOutputStringLineCount() should be empty
+	ASSERT_EQ(std::string(""), std::string(obj.GetSelectedOutputStringLine(obj.GetSelectedOutputStringLineCount())));
+	ASSERT_EQ(std::string(""), std::string(obj.GetSelectedOutputStringLine(obj.GetSelectedOutputStringLineCount() + 1)));
+	ASSERT_EQ(std::string(""), std::string(obj.GetSelectedOutputStringLine(obj.GetSelectedOutputStringLineCount() + 2)));
+
+	// negative lines should be empty
+	ASSERT_EQ(std::string(""), std::string(obj.GetSelectedOutputStringLine(-1)));
+	ASSERT_EQ(std::string(""), std::string(obj.GetSelectedOutputStringLine(-2)));
+	ASSERT_EQ(std::string(""), std::string(obj.GetSelectedOutputStringLine(-3)));
+}
+
+TEST(TestIPhreeqc, TestLongUser_Punch)
+{
+	// stream tests
+	std::ostringstream oss;
+	PHRQ_io::fpunchf_helper(&oss, "%2046.2046s", "TEST");
+	ASSERT_EQ((size_t)2046, oss.str().size());
+	std::string s0(oss.str());
+	ASSERT_EQ(std::string("TEST"), trim(s0));
+
+	oss.clear(); oss.seekp(0);
+	PHRQ_io::fpunchf_helper(&oss, "%2047.2047s", "TEST");
+	ASSERT_EQ((size_t)2047, oss.str().size());
+	std::string s1(oss.str());
+	ASSERT_EQ(std::string("TEST"), trim(s1));
+
+	oss.clear(); oss.seekp(0);
+	PHRQ_io::fpunchf_helper(&oss, "%2048.2048s", "TEST");
+	ASSERT_EQ((size_t)2048, oss.str().size());
+	std::string s2(oss.str());
+	ASSERT_EQ(std::string("TEST"), trim(s2));
+
+	oss.clear(); oss.seekp(0);
+	PHRQ_io::fpunchf_helper(&oss, "%2049.2049s", "TEST");
+	ASSERT_EQ((size_t)2049, oss.str().size());
+	std::string s3(oss.str());
+	ASSERT_EQ(std::string("TEST"), trim(s3));
+
+	oss.clear(); oss.seekp(0);
+	PHRQ_io::fpunchf_helper(&oss, "%2050.2050s", "TEST");
+	ASSERT_EQ((size_t)2050, oss.str().size());
+	std::string s4(oss.str());
+	ASSERT_EQ(std::string("TEST"), trim(s4));
+
+
+	// string tests
+	std::string str;
+	PHRQ_io::fpunchf_helper(&str, "%2046.2046s", "TEST");
+	ASSERT_EQ((size_t)2046, str.size());
+	ASSERT_EQ(std::string("TEST"), trim(str));
+
+	str.clear();
+	PHRQ_io::fpunchf_helper(&str, "%2047.2047s", "TEST");
+	ASSERT_EQ((size_t)2047, str.size());
+	ASSERT_EQ(std::string("TEST"), trim(str));
+
+	str.clear();
+	PHRQ_io::fpunchf_helper(&str, "%2048.2048s", "TEST");
+	ASSERT_EQ((size_t)2048, str.size());
+	ASSERT_EQ(std::string("TEST"), trim(str));
+
+	str.clear();
+	PHRQ_io::fpunchf_helper(&str, "%2049.2049s", "TEST");
+	ASSERT_EQ((size_t)2049, str.size());
+	ASSERT_EQ(std::string("TEST"), trim(str));
+
+	str.clear();
+	PHRQ_io::fpunchf_helper(&str, "%2050.2050s", "TEST");
+	ASSERT_EQ((size_t)2050, str.size());
+	ASSERT_EQ(std::string("TEST"), trim(str));
+
+	const char input[] =
+		"PRINT\n"
+		" -selected_output t\n"
+		"SOLUTION\n"
+		"SELECTED_OUTPUT\n"
+		" -reset false\n"
+		"USER_PUNCH\n"
+		"1 REM 255 CHARACTER STRING\n"
+		"10 temp$ = \"XXXXX123456789012345678901234567890123456789012345678901234567890123456789012345678901234567890123456789012345678901234567890123456789012345678901234567890123456789012345678901234567890123456789012345678901234567890123456789012345678901234567890123456789012345\"\n"
+		"20 PUNCH temp$\n";
+
+	IPhreeqc obj;
+	obj.SetSelectedOutputFileOn(true);
+	ASSERT_EQ(0, obj.LoadDatabase("phreeqc.dat"));
+	ASSERT_EQ(0, obj.RunString(input));
+}
+
+TEST(TestIPhreeqc, TestBasicSURF)
+{
+	IPhreeqc obj;
+
+	ASSERT_EQ(0, obj.LoadDatabase("phreeqc.dat"));
+
+	ASSERT_EQ(VR_OK, obj.AccumulateLine("SURFACE_MASTER_SPECIES"));
+	ASSERT_EQ(VR_OK, obj.AccumulateLine("		 Surfa Surfa"));
+	ASSERT_EQ(VR_OK, obj.AccumulateLine("		 Surfb Surfb"));
+	ASSERT_EQ(VR_OK, obj.AccumulateLine("SURFACE_SPECIES"));
+	ASSERT_EQ(VR_OK, obj.AccumulateLine("		 Surfa = Surfa"));
+	ASSERT_EQ(VR_OK, obj.AccumulateLine("		 log_k 0"));
+	ASSERT_EQ(VR_OK, obj.AccumulateLine("		 Surfb = Surfb"));
+	ASSERT_EQ(VR_OK, obj.AccumulateLine("		 log_k 0"));
+	ASSERT_EQ(VR_OK, obj.AccumulateLine("		 Surfa + Zn+2 = SurfaZn+2"));
+	ASSERT_EQ(VR_OK, obj.AccumulateLine("		 log_k  5."));
+	ASSERT_EQ(VR_OK, obj.AccumulateLine("		 Surfb + Zn+2 = SurfbZn+2"));
+	ASSERT_EQ(VR_OK, obj.AccumulateLine("		 log_k  6."));
+	ASSERT_EQ(VR_OK, obj.AccumulateLine("		 Surfa + Cu+2 = SurfaCu+2"));
+	ASSERT_EQ(VR_OK, obj.AccumulateLine("		 log_k  4.5"));
+	ASSERT_EQ(VR_OK, obj.AccumulateLine("		 Surfb + Cu+2 = SurfbCu+2"));
+	ASSERT_EQ(VR_OK, obj.AccumulateLine("		 log_k  6.5"));
+	ASSERT_EQ(VR_OK, obj.AccumulateLine("SOLUTION 1"));
+	ASSERT_EQ(VR_OK, obj.AccumulateLine("   pH        8"));
+	ASSERT_EQ(VR_OK, obj.AccumulateLine("   units     mol/kgw"));
+	ASSERT_EQ(VR_OK, obj.AccumulateLine("   Fe(3)     1e-2"));
+	ASSERT_EQ(VR_OK, obj.AccumulateLine("   Zn        1e-4"));
+	ASSERT_EQ(VR_OK, obj.AccumulateLine("   Cu        1e-5"));
+	ASSERT_EQ(VR_OK, obj.AccumulateLine("   Na        1e-1"));
+	ASSERT_EQ(VR_OK, obj.AccumulateLine("   Cl        1e-1"));
+	ASSERT_EQ(VR_OK, obj.AccumulateLine("EQUILIBRIUM_PHASES 1"));
+	ASSERT_EQ(VR_OK, obj.AccumulateLine("   Fe(OH)3(a) 0 0"));
+	ASSERT_EQ(VR_OK, obj.AccumulateLine("SELECTED_OUTPUT"));
+	ASSERT_EQ(VR_OK, obj.AccumulateLine("USER_PUNCH"));
+	ASSERT_EQ(VR_OK, obj.AccumulateLine("    -headings Hfo-Zn Surfa-Zn Surfb-Zn Surfa-Cu Surfb-Cu"));
+	ASSERT_EQ(VR_OK, obj.AccumulateLine("-start"));
+	ASSERT_EQ(VR_OK, obj.AccumulateLine("10 PUNCH SURF(\"Zn\",\"Hfo\")"));
+	ASSERT_EQ(VR_OK, obj.AccumulateLine("20 PUNCH SURF(\"Zn\",\"Surfa\")"));
+	ASSERT_EQ(VR_OK, obj.AccumulateLine("30 PUNCH SURF(\"Zn\",\"Surfb\")"));
+	ASSERT_EQ(VR_OK, obj.AccumulateLine("40 PUNCH SURF(\"Cu\",\"Surfa\")"));
+	ASSERT_EQ(VR_OK, obj.AccumulateLine("50 PUNCH SURF(\"Cu\",\"Surfb\")"));
+	ASSERT_EQ(VR_OK, obj.AccumulateLine("-end"));
+	ASSERT_EQ(VR_OK, obj.AccumulateLine("SURFACE 1"));
+	ASSERT_EQ(VR_OK, obj.AccumulateLine("    Hfo_sOH Fe(OH)3(a)      equilibrium_phase 0.005  53300"));
+	ASSERT_EQ(VR_OK, obj.AccumulateLine("    Hfo_wOH Fe(OH)3(a)      equilibrium_phase 0.2"));
+	ASSERT_EQ(VR_OK, obj.AccumulateLine("    Surfa  0.2 100. 2"));
+	ASSERT_EQ(VR_OK, obj.AccumulateLine("    Surfb  0.1 100. 1"));
+	ASSERT_EQ(VR_OK, obj.AccumulateLine("END"));
+
+	obj.SetOutputStringOn(true);
+	obj.SetOutputFileOn(false);
+	obj.SetErrorFileOn(false);
+	obj.SetLogFileOn(false);
+	obj.SetSelectedOutputFileOn(false);
+	obj.SetDumpStringOn(false);
+	obj.SetDumpFileOn(false);
+
+	ASSERT_EQ(0, obj.RunAccumulated());
+
+	ASSERT_EQ(13, obj.GetSelectedOutputColumnCount());
+	ASSERT_EQ(3, obj.GetSelectedOutputRowCount());
+
+	CVar v;
+
+	const int offset = 8;
+
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(0, offset + 0, &v));
+	ASSERT_EQ(TT_STRING, v.type);
+	ASSERT_EQ(std::string("Hfo-Zn"), std::string(v.sVal));
+
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(0, offset + 1, &v));
+	ASSERT_EQ(TT_STRING, v.type);
+	ASSERT_EQ(std::string("Surfa-Zn"), std::string(v.sVal));
+
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(0, offset + 2, &v));
+	ASSERT_EQ(TT_STRING, v.type);
+	ASSERT_EQ(std::string("Surfb-Zn"), std::string(v.sVal));
+
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(0, offset + 3, &v));
+	ASSERT_EQ(TT_STRING, v.type);
+	ASSERT_EQ(std::string("Surfa-Cu"), std::string(v.sVal));
+
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(0, offset + 4, &v));
+	ASSERT_EQ(TT_STRING, v.type);
+	ASSERT_EQ(std::string("Surfb-Cu"), std::string(v.sVal));
+
+
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(1, offset + 0, &v));
+	ASSERT_EQ(TT_DOUBLE, v.type);
+	ASSERT_NEAR(0.0, v.dVal, ::pow(10., -FLT_DIG));
+
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(1, offset + 1, &v));
+	ASSERT_EQ(TT_DOUBLE, v.type);
+	ASSERT_NEAR(0.0, v.dVal, ::pow(10., -FLT_DIG));
+
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(1, offset + 2, &v));
+	ASSERT_EQ(TT_DOUBLE, v.type);
+	ASSERT_NEAR(0.0, v.dVal, ::pow(10., -FLT_DIG));
+
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(1, offset + 3, &v));
+	ASSERT_EQ(TT_DOUBLE, v.type);
+	ASSERT_NEAR(0.0, v.dVal, ::pow(10., -FLT_DIG));
+
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(1, offset + 4, &v));
+	ASSERT_EQ(TT_DOUBLE, v.type);
+	ASSERT_NEAR(0.0, v.dVal, ::pow(10., -FLT_DIG));
+
+
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(2, offset + 0, &v));
+	ASSERT_EQ(TT_DOUBLE, v.type);
+	ASSERT_NEAR(6.3861e-005, v.dVal, ::pow(10., -FLT_DIG));
+
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(2, offset + 1, &v));
+	ASSERT_EQ(TT_DOUBLE, v.type);
+	ASSERT_NEAR(1.7868e-005, v.dVal, ::pow(10., -FLT_DIG));
+
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(2, offset + 2, &v));
+	ASSERT_EQ(TT_DOUBLE, v.type);
+	ASSERT_NEAR(1.8248e-005, v.dVal, ::pow(10., -FLT_DIG));
+
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(2, offset + 3, &v));
+	ASSERT_EQ(TT_DOUBLE, v.type);
+	ASSERT_NEAR(4.6216e-009, v.dVal, ::pow(10., -FLT_DIG));
+
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(2, offset + 4, &v));
+	ASSERT_EQ(TT_DOUBLE, v.type);
+	ASSERT_NEAR(4.7201e-008, v.dVal, ::pow(10., -FLT_DIG));
+}
+
+#include <time.h>
+TEST(TestIPhreeqc, TestCErrorReporter)
+{
+	IPhreeqc obj;
+
+	ASSERT_EQ(0, obj.LoadDatabase("llnl.dat"));
+
+	int max = 6;
+
+	ASSERT_EQ(VR_OK, SOLUTION(obj, 1.0, 1.0, 1.0));
+	ASSERT_EQ(VR_OK, EQUILIBRIUM_PHASES(obj, "calcite", 0.0, 0.010));
+	ASSERT_EQ(VR_OK, USER_PUNCH(obj, "Ca", max));
+
+	obj.SetOutputFileOn(0);
+	obj.SetErrorFileOn(0);
+	obj.SetLogFileOn(0);
+	obj.SetSelectedOutputFileOn(0);
+	obj.SetDumpFileOn(0);
+	ASSERT_EQ(0, obj.RunAccumulated());
+
+	//clock_t t0 = clock();
+	int nrows = obj.GetSelectedOutputRowCount();
+	int ncols = obj.GetSelectedOutputColumnCount();
+	CVar var;
+	for (int c = 0; c < 4000; ++c)
+	{
+		for (int row = 0; row < nrows; ++row)
+		{
+			for (int col = 0; col < ncols; ++col)
+			{
+				ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(row, col, &var));
+			}
+		}
+	}
+	//clock_t t = clock();
+	//printf("\ntime = %g\n", double(t - t0));
+}
+
+TEST(TestIPhreeqc, TestDelete)
+{
+	const char input[] =
+		"SOLUTION 1 # definition of initial condition 1\n"
+		"COPY cell 1 7405 # copy cell 1 to placeholder cell with index larger than the number of cells in the model domain\n"
+		"END\n"
+		"DELETE # delete initial condition 1 to allow for a redefinition of all reactions\n"
+		"-cell 1\n"
+		"END\n"
+		"# define other initial conditions and copy to another placeholder cell\n"
+		"\n"
+		"COPY cell 7405    1 # copy back from placeholder cell to domain cell 1\n"
+		"END\n"
+		"MIX    1 # mix according to initial moisture content\n"
+		"   1 0.25\n"
+		"END\n"
+		"RUN_CELLS\n"
+		"-cells 1\n"
+		"-start_time 0\n"
+		"-time_step 0\n"
+		"DELETE # remove mix reaction in subsequent runs\n"
+		"-mix 1\n"
+		"END\n"
+		"RUN_CELLS\n"
+		"-cells 1\n";
+
+	IPhreeqc obj;
+
+	char OUTPUT_FILE[80];
+	snprintf(OUTPUT_FILE, sizeof(OUTPUT_FILE), "phreeqc.%lu.out", (unsigned long)obj.GetId());
+
+	if (::FileExists(OUTPUT_FILE))
+	{
+		ASSERT_TRUE(::DeleteFile(OUTPUT_FILE));
+	}
+	ASSERT_EQ(false, ::FileExists(OUTPUT_FILE));
+	ASSERT_EQ(0, obj.LoadDatabase("phreeqc.dat"));
+	obj.SetOutputFileOn(0);
+	obj.SetErrorFileOn(0);
+	obj.SetLogFileOn(0);
+	obj.SetSelectedOutputFileOn(0);
+	obj.SetDumpFileOn(0);
+	ASSERT_EQ(false, ::FileExists(OUTPUT_FILE));
+	ASSERT_EQ(0, obj.RunString(input));
+	ASSERT_EQ(false, ::FileExists(OUTPUT_FILE));
+	if (::FileExists(OUTPUT_FILE))
+	{
+		ASSERT_TRUE(::DeleteFile(OUTPUT_FILE));
+	}
+}
+
+TEST(TestIPhreeqc, TestRunFileMultiPunchOn)
+{
+	FileTest set1("multi_punch_1.sel");
+	ASSERT_TRUE(set1.RemoveExisting());
+
+	FileTest set2("multi_punch_2.sel");
+	ASSERT_TRUE(set2.RemoveExisting());
+
+	FileTest set3("multi_punch_3.sel");
+	ASSERT_TRUE(set3.RemoveExisting());
+
+	IPhreeqc obj;
+
+	ASSERT_EQ(0, obj.LoadDatabase("phreeqc.dat"));
+	obj.SetCurrentSelectedOutputUserNumber(1);
+	obj.SetSelectedOutputFileOn(true);
+	obj.SetCurrentSelectedOutputUserNumber(2);
+	obj.SetSelectedOutputFileOn(true);
+	obj.SetCurrentSelectedOutputUserNumber(3);
+	obj.SetSelectedOutputFileOn(true);
+	ASSERT_EQ(0, obj.RunFile("multi_punch"));
+
+	ASSERT_TRUE(set1.VerifyExists());
+	ASSERT_TRUE(set2.VerifyExists());
+	ASSERT_TRUE(set3.VerifyExists());
+}
+
+TEST(TestIPhreeqc, TestRunFileMultiPunchOff)
+{
+	FileTest set1("multi_punch_1.sel");
+	ASSERT_TRUE(set1.RemoveExisting());
+
+	FileTest set2("multi_punch_2.sel");
+	ASSERT_TRUE(set2.RemoveExisting());
+
+	FileTest set3("multi_punch_3.sel");
+	ASSERT_TRUE(set3.RemoveExisting());
+
+	IPhreeqc obj;
+
+	ASSERT_EQ(0, obj.LoadDatabase("phreeqc.dat"));
+	obj.SetOutputFileOn(false);
+	obj.SetErrorFileOn(false);
+	obj.SetLogFileOn(false);
+	obj.SetSelectedOutputFileOn(false);
+	obj.SetDumpFileOn(false);
+	ASSERT_EQ(0, obj.RunFile("multi_punch"));
+
+	ASSERT_TRUE(set1.VerifyMissing());
+	ASSERT_TRUE(set2.VerifyMissing());
+	ASSERT_TRUE(set3.VerifyMissing());
+}
+
+TEST(TestIPhreeqc, TestRunFileMultiPunchSet)
+{
+	FileTest called("XXX.sel");
+	ASSERT_TRUE(called.RemoveExisting());
+
+	FileTest set1("multi_punch_1.sel");
+	ASSERT_TRUE(set1.RemoveExisting());
+
+	FileTest set2("multi_punch_2.sel");
+	ASSERT_TRUE(set2.RemoveExisting());
+
+	FileTest set3("multi_punch_3.sel");
+	ASSERT_TRUE(set3.RemoveExisting());
+
+	IPhreeqc obj;
+
+	ASSERT_EQ(0, obj.LoadDatabase("phreeqc.dat"));
+
+	obj.SetCurrentSelectedOutputUserNumber(1);
+	obj.SetSelectedOutputFileOn(true);
+	obj.SetCurrentSelectedOutputUserNumber(2);
+	obj.SetSelectedOutputFileOn(true);
+	obj.SetCurrentSelectedOutputUserNumber(3);
+	obj.SetSelectedOutputFileOn(true);
+
+	obj.SetSelectedOutputFileName(called.GetName().c_str());
+
+	ASSERT_EQ(0, obj.RunFile("multi_punch"));
+
+	ASSERT_TRUE(called.VerifyMissing());
+
+	ASSERT_TRUE(set1.VerifyExists());
+	ASSERT_TRUE(set2.VerifyExists());
+	ASSERT_TRUE(set3.VerifyExists());
+}
+
+TEST(TestIPhreeqc, TestRunFileMultiPunchNoSet)
+{
+	IPhreeqc obj;
+
+	FileTest set("XXX.sel");
+	ASSERT_TRUE(set.RemoveExisting());
+
+#if FIXME_PROTECTED
+	FileTest unset1(obj.sel_file_name(1));
+	ASSERT_TRUE(unset1.RemoveExisting());
+
+	FileTest unset2(obj.sel_file_name(2));
+	ASSERT_TRUE(unset2.RemoveExisting());
+
+	FileTest unset3(obj.sel_file_name(3));
+	ASSERT_TRUE(unset3.RemoveExisting());
+#endif
+
+	ASSERT_EQ(0, obj.LoadDatabase("phreeqc.dat"));
+
+	obj.SetCurrentSelectedOutputUserNumber(1);
+	obj.SetSelectedOutputFileOn(true);
+	obj.SetCurrentSelectedOutputUserNumber(2);
+	obj.SetSelectedOutputFileOn(true);
+	obj.SetCurrentSelectedOutputUserNumber(3);
+	obj.SetSelectedOutputFileOn(true);
+
+	obj.SetCurrentSelectedOutputUserNumber(1);
+	obj.SetSelectedOutputFileName(set.GetName().c_str());
+	ASSERT_EQ(0, obj.RunFile("multi_punch_no_set"));
+
+	ASSERT_TRUE(set.VerifyExists());
+#if FIXME_PROTECTED
+	ASSERT_TRUE(!unset1.VerifyExists());
+	ASSERT_TRUE(unset2.VerifyExists());
+	ASSERT_TRUE(unset3.VerifyExists());
+#endif
+}
+
+TEST(TestIPhreeqc, TestMultiPunchSelectedOutputStringOn)
+{
+	IPhreeqc obj;
+
+	ASSERT_EQ(0, obj.LoadDatabase("phreeqc.dat"));
+	obj.SetSelectedOutputStringOn(true);
+	ASSERT_EQ(0, obj.RunFile("multi_punch"));
+
+	ASSERT_EQ(6, obj.GetSelectedOutputStringLineCount());
+
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(0), "sim\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(0), "state\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(0), "soln\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(0), "dist_x\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(0), "time\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(0), "step\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(0), "pH\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(0), "pe\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(0), "reaction\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(0), "temp\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(0), "Alk\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(0), "mu\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(0), "mass_H2O\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(0), "charge\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(0), "pct_err\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(0), "Na\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(0), "Ca\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(0), "m_Na+\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(0), "m_HCO3-\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(0), "la_Ca+2\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(0), "la_CO3-2\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(0), "CO2(g)\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(0), "d_CO2(g)\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(0), "dolomite\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(0), "d_dolomite\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(0), "si_Halite\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(0), "pressure\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(0), "total mol\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(0), "volume\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(0), "g_N2(g)\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(0), "k_Calcite\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(0), "dk_Calcite\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(0), "s_Anhydrite\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(0), "s_Barite\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(0), "V_TOTAL_C\t") != NULL);
+
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(1), "  8\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(2), " 10\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(3), " 11\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(4), " 12\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(5), " 14\t") != NULL);
+
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(1), "react\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(2), "react\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(3), "i_soln\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(4), "i_soln\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(5), "react\t") != NULL);
+
+	obj.SetCurrentSelectedOutputUserNumber(2);
+	ASSERT_EQ(9, obj.GetSelectedOutputStringLineCount());
+
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(0), "si_Halite\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(0), "si_Calcite\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(2), "Dummy1\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(2), "Dummy2\t") != NULL);
+
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(3), "Dummy1\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(3), "Dummy2\t") != NULL);
+
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(4), "Dummy1\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(4), "Dummy2\t") != NULL);
+
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(5), "Dummy1\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(5), "Dummy2\t") != NULL);
+
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(6), "Sum_resid\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(6), "Sum_Delta/U\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(6), "MaxFracErr\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(6), "Soln_2\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(6), "Soln_2_min\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(6), "Soln_2_max\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(6), "Soln_3\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(6), "Soln_3_min\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(6), "Soln_3_max\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(6), "Halite\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(6), "Halite_max\t") != NULL);
+
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(8), "Dummy1\t") != NULL);
+	ASSERT_TRUE(::strstr(obj.GetSelectedOutputStringLine(8), "Dummy2\t") != NULL);
+}
+
+TEST(TestIPhreeqc, TestMultiPunchCSelectedOutput)
+{
+	CVar var;
+	IPhreeqc obj;
+
+	ASSERT_EQ(0, obj.LoadDatabase("phreeqc.dat.90a6449"));
+	ASSERT_EQ(0, obj.RunFile("multi_punch"));
+
+	ASSERT_EQ(6, obj.GetSelectedOutputRowCount());
+	ASSERT_EQ(35, obj.GetSelectedOutputColumnCount());
+
+	// headings
+	int ncol = 0;
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(0, ncol++, &var));   ASSERT_EQ(std::string("sim"), std::string(var.sVal));
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(0, ncol++, &var));   ASSERT_EQ(std::string("state"), std::string(var.sVal));
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(0, ncol++, &var));   ASSERT_EQ(std::string("soln"), std::string(var.sVal));
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(0, ncol++, &var));   ASSERT_EQ(std::string("dist_x"), std::string(var.sVal));
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(0, ncol++, &var));   ASSERT_EQ(std::string("time"), std::string(var.sVal));
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(0, ncol++, &var));   ASSERT_EQ(std::string("step"), std::string(var.sVal));
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(0, ncol++, &var));   ASSERT_EQ(std::string("pH"), std::string(var.sVal));
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(0, ncol++, &var));   ASSERT_EQ(std::string("pe"), std::string(var.sVal));
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(0, ncol++, &var));   ASSERT_EQ(std::string("reaction"), std::string(var.sVal));
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(0, ncol++, &var));   ASSERT_EQ(std::string("temp(C)"), std::string(var.sVal));
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(0, ncol++, &var));   ASSERT_EQ(std::string("Alk(eq/kgw)"), std::string(var.sVal));
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(0, ncol++, &var));   ASSERT_EQ(std::string("mu"), std::string(var.sVal));
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(0, ncol++, &var));   ASSERT_EQ(std::string("mass_H2O"), std::string(var.sVal));
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(0, ncol++, &var));   ASSERT_EQ(std::string("charge(eq)"), std::string(var.sVal));
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(0, ncol++, &var));   ASSERT_EQ(std::string("pct_err"), std::string(var.sVal));
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(0, ncol++, &var));   ASSERT_EQ(std::string("Na(mol/kgw)"), std::string(var.sVal));
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(0, ncol++, &var));   ASSERT_EQ(std::string("Ca(mol/kgw)"), std::string(var.sVal));
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(0, ncol++, &var));   ASSERT_EQ(std::string("m_Na+(mol/kgw)"), std::string(var.sVal));
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(0, ncol++, &var));   ASSERT_EQ(std::string("m_HCO3-(mol/kgw)"), std::string(var.sVal));
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(0, ncol++, &var));   ASSERT_EQ(std::string("la_Ca+2"), std::string(var.sVal));
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(0, ncol++, &var));   ASSERT_EQ(std::string("la_CO3-2"), std::string(var.sVal));
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(0, ncol++, &var));   ASSERT_EQ(std::string("CO2(g)"), std::string(var.sVal));
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(0, ncol++, &var));   ASSERT_EQ(std::string("d_CO2(g)"), std::string(var.sVal));
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(0, ncol++, &var));   ASSERT_EQ(std::string("dolomite"), std::string(var.sVal));
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(0, ncol++, &var));   ASSERT_EQ(std::string("d_dolomite"), std::string(var.sVal));
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(0, ncol++, &var));   ASSERT_EQ(std::string("si_Halite"), std::string(var.sVal));
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(0, ncol++, &var));   ASSERT_EQ(std::string("pressure"), std::string(var.sVal));
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(0, ncol++, &var));   ASSERT_EQ(std::string("total mol"), std::string(var.sVal));
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(0, ncol++, &var));   ASSERT_EQ(std::string("volume"), std::string(var.sVal));
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(0, ncol++, &var));   ASSERT_EQ(std::string("g_N2(g)"), std::string(var.sVal));
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(0, ncol++, &var));   ASSERT_EQ(std::string("k_Calcite"), std::string(var.sVal));
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(0, ncol++, &var));   ASSERT_EQ(std::string("dk_Calcite"), std::string(var.sVal));
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(0, ncol++, &var));   ASSERT_EQ(std::string("s_Anhydrite"), std::string(var.sVal));
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(0, ncol++, &var));   ASSERT_EQ(std::string("s_Barite"), std::string(var.sVal));
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(0, ncol++, &var));   ASSERT_EQ(std::string("V_TOTAL_C"), std::string(var.sVal));
+
+	// sim
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(1, 0, &var));   ASSERT_EQ((long)8, var.lVal);
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(2, 0, &var));   ASSERT_EQ((long)10, var.lVal);
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(3, 0, &var));   ASSERT_EQ((long)11, var.lVal);
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(4, 0, &var));   ASSERT_EQ((long)12, var.lVal);
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(5, 0, &var));   ASSERT_EQ((long)14, var.lVal);
+
+	// state
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(1, 1, &var));   ASSERT_EQ(std::string("react"), std::string(var.sVal));
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(2, 1, &var));   ASSERT_EQ(std::string("react"), std::string(var.sVal));
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(3, 1, &var));   ASSERT_EQ(std::string("i_soln"), std::string(var.sVal));
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(4, 1, &var));   ASSERT_EQ(std::string("i_soln"), std::string(var.sVal));
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(5, 1, &var));   ASSERT_EQ(std::string("react"), std::string(var.sVal));
+
+	// pH
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(1, 6, &var));   ASSERT_NEAR(7.30475, var.dVal, ::pow(10., -2));
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(2, 6, &var));   ASSERT_NEAR(7.29765, var.dVal, ::pow(10., -2));
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(3, 6, &var));   ASSERT_NEAR(6.99738, var.dVal, ::pow(10., -2));
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(4, 6, &var));   ASSERT_NEAR(6.99698, var.dVal, ::pow(10., -2));
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(5, 6, &var));   ASSERT_NEAR(7.2942, var.dVal, ::pow(10., -2));
+
+	// V_TOTAL_C
+#ifdef SKIP_TEST
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(1, 34, &var));   ASSERT_NEAR(4.3729e-003, var.dVal, ::pow(10., -6));
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(2, 34, &var));   ASSERT_NEAR(4.3090e-003, var.dVal, ::pow(10., -6));
+#endif
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(3, 34, &var));   ASSERT_NEAR(0.0000e+000, var.dVal, ::pow(10., -6));
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(4, 34, &var));   ASSERT_NEAR(0.0000e+000, var.dVal, ::pow(10., -6));
+#ifdef SKIP_TEST
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(5, 34, &var));   ASSERT_NEAR(4.2784e-003, var.dVal, ::pow(10., -6));
+#endif
+
+	// edge cases
+	int r = obj.GetSelectedOutputRowCount();
+	int c = obj.GetSelectedOutputColumnCount();
+	ASSERT_EQ(VR_INVALIDROW, obj.GetSelectedOutputValue(-1, 0, &var));  ASSERT_EQ(TT_ERROR, var.type);  ASSERT_EQ(VR_INVALIDROW, var.vresult);
+	ASSERT_EQ(VR_INVALIDROW, obj.GetSelectedOutputValue(r, 0, &var));  ASSERT_EQ(TT_ERROR, var.type);  ASSERT_EQ(VR_INVALIDROW, var.vresult);
+	ASSERT_EQ(VR_INVALIDCOL, obj.GetSelectedOutputValue(0, -1, &var));  ASSERT_EQ(TT_ERROR, var.type);  ASSERT_EQ(VR_INVALIDCOL, var.vresult);
+	ASSERT_EQ(VR_INVALIDCOL, obj.GetSelectedOutputValue(0, c, &var));  ASSERT_EQ(TT_ERROR, var.type);  ASSERT_EQ(VR_INVALIDCOL, var.vresult);
+
+
+	obj.SetCurrentSelectedOutputUserNumber(2);
+	ASSERT_EQ(7, obj.GetSelectedOutputRowCount());
+	ASSERT_EQ(16, obj.GetSelectedOutputColumnCount());
+
+	// headings
+	ncol = 0;
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(0, ncol++, &var));   ASSERT_EQ(std::string("si_Halite"), std::string(var.sVal));
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(0, ncol++, &var));   ASSERT_EQ(std::string("si_Calcite"), std::string(var.sVal));
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(0, ncol++, &var));   ASSERT_EQ(std::string("DUMMY_1"), std::string(var.sVal));
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(0, ncol++, &var));   ASSERT_EQ(std::string("DUMMY_2"), std::string(var.sVal));
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(0, ncol++, &var));   ASSERT_EQ(std::string("Sum_resid"), std::string(var.sVal));
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(0, ncol++, &var));   ASSERT_EQ(std::string("Sum_Delta/U"), std::string(var.sVal));
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(0, ncol++, &var));   ASSERT_EQ(std::string("MaxFracErr"), std::string(var.sVal));
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(0, ncol++, &var));   ASSERT_EQ(std::string("Soln_2"), std::string(var.sVal));
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(0, ncol++, &var));   ASSERT_EQ(std::string("Soln_2_min"), std::string(var.sVal));
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(0, ncol++, &var));   ASSERT_EQ(std::string("Soln_2_max"), std::string(var.sVal));
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(0, ncol++, &var));   ASSERT_EQ(std::string("Soln_3"), std::string(var.sVal));
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(0, ncol++, &var));   ASSERT_EQ(std::string("Soln_3_min"), std::string(var.sVal));
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(0, ncol++, &var));   ASSERT_EQ(std::string("Soln_3_max"), std::string(var.sVal));
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(0, ncol++, &var));   ASSERT_EQ(std::string("Halite"), std::string(var.sVal));
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(0, ncol++, &var));   ASSERT_EQ(std::string("Halite_min"), std::string(var.sVal));
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(0, ncol++, &var));   ASSERT_EQ(std::string("Halite_max"), std::string(var.sVal));
+
+	// si_Halite
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(1, 0, &var));   ASSERT_NEAR(-7.70857, var.dVal, ::pow(10., -2));
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(2, 0, &var));   ASSERT_NEAR(-7.67087, var.dVal, ::pow(10., -2));
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(3, 0, &var));   ASSERT_NEAR(-7.6362, var.dVal, ::pow(10., -2));
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(4, 0, &var));   ASSERT_NEAR(-999.999, var.dVal, ::pow(10., -2));
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(5, 0, &var));   ASSERT_NEAR(-7.60092, var.dVal, ::pow(10., -2));
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(6, 0, &var));   ASSERT_NEAR(-7.60411, var.dVal, ::pow(10., -2));
+
+	// si_Calcite
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(1, 1, &var));   ASSERT_NEAR(0.702316, var.dVal, ::pow(10., -2));
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(2, 1, &var));   ASSERT_NEAR(0.695856, var.dVal, ::pow(10., -2));
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(3, 1, &var));   ASSERT_NEAR(0.689518, var.dVal, ::pow(10., -2));
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(4, 1, &var));   ASSERT_NEAR(-999.999, var.dVal, ::pow(10., -2));
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(5, 1, &var));   ASSERT_NEAR(-999.999, var.dVal, ::pow(10., -2));
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(6, 1, &var));   ASSERT_NEAR(0.683300, var.dVal, ::pow(10., -2));
+
+	// DUMMY_1
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(1, 2, &var));   ASSERT_EQ(TT_EMPTY, var.type);
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(2, 2, &var));   ASSERT_EQ(std::string("Dummy1"), std::string(var.sVal));
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(3, 2, &var));   ASSERT_EQ(std::string("Dummy1"), std::string(var.sVal));
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(4, 2, &var));   ASSERT_EQ(std::string("Dummy1"), std::string(var.sVal));
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(5, 2, &var));   ASSERT_EQ(std::string("Dummy1"), std::string(var.sVal));
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(6, 2, &var));   ASSERT_EQ(std::string("Dummy1"), std::string(var.sVal));
+
+	// DUMMY_2
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(1, 3, &var));   ASSERT_EQ(TT_EMPTY, var.type);
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(2, 3, &var));   ASSERT_EQ(std::string("Dummy2"), std::string(var.sVal));
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(3, 3, &var));   ASSERT_EQ(std::string("Dummy2"), std::string(var.sVal));
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(4, 3, &var));   ASSERT_EQ(std::string("Dummy2"), std::string(var.sVal));
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(5, 3, &var));   ASSERT_EQ(std::string("Dummy2"), std::string(var.sVal));
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(6, 3, &var));   ASSERT_EQ(std::string("Dummy2"), std::string(var.sVal));
+
+	// Sum_resid
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(1, 4, &var));   ASSERT_EQ(TT_EMPTY, var.type);
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(2, 4, &var));   ASSERT_EQ(TT_EMPTY, var.type);
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(3, 4, &var));   ASSERT_EQ(TT_EMPTY, var.type);
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(4, 4, &var));   ASSERT_EQ(TT_EMPTY, var.type);
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(5, 4, &var));   ASSERT_EQ(TT_EMPTY, var.type);
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(6, 4, &var));   ASSERT_NEAR(4.12e-13, var.dVal, ::pow(10., log10(4.12e-13) - 2));
+
+	// Sum_Delta/U
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(1, 5, &var));   ASSERT_EQ(TT_EMPTY, var.type);
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(2, 5, &var));   ASSERT_EQ(TT_EMPTY, var.type);
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(3, 5, &var));   ASSERT_EQ(TT_EMPTY, var.type);
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(4, 5, &var));   ASSERT_EQ(TT_EMPTY, var.type);
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(5, 5, &var));   ASSERT_EQ(TT_EMPTY, var.type);
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(6, 5, &var));   ASSERT_NEAR(0, var.dVal, ::pow(10., -3));
+
+	// MaxFracErr
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(1, 6, &var));   ASSERT_EQ(TT_EMPTY, var.type);
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(2, 6, &var));   ASSERT_EQ(TT_EMPTY, var.type);
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(3, 6, &var));   ASSERT_EQ(TT_EMPTY, var.type);
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(4, 6, &var));   ASSERT_EQ(TT_EMPTY, var.type);
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(5, 6, &var));   ASSERT_EQ(TT_EMPTY, var.type);
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(6, 6, &var));   ASSERT_NEAR(0, var.dVal, ::pow(10., -3));
+
+	// Soln_2
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(1, 7, &var));   ASSERT_EQ(TT_EMPTY, var.type);
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(2, 7, &var));   ASSERT_EQ(TT_EMPTY, var.type);
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(3, 7, &var));   ASSERT_EQ(TT_EMPTY, var.type);
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(4, 7, &var));   ASSERT_EQ(TT_EMPTY, var.type);
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(5, 7, &var));   ASSERT_EQ(TT_EMPTY, var.type);
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(6, 7, &var));   ASSERT_NEAR(1, var.dVal, ::pow(10., -3));
+
+	// Soln_2_min
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(1, 8, &var));   ASSERT_EQ(TT_EMPTY, var.type);
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(2, 8, &var));   ASSERT_EQ(TT_EMPTY, var.type);
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(3, 8, &var));   ASSERT_EQ(TT_EMPTY, var.type);
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(4, 8, &var));   ASSERT_EQ(TT_EMPTY, var.type);
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(5, 8, &var));   ASSERT_EQ(TT_EMPTY, var.type);
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(6, 8, &var));   ASSERT_NEAR(0, var.dVal, ::pow(10., -3));
+
+	// Soln_2_max
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(1, 9, &var));   ASSERT_EQ(TT_EMPTY, var.type);
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(2, 9, &var));   ASSERT_EQ(TT_EMPTY, var.type);
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(3, 9, &var));   ASSERT_EQ(TT_EMPTY, var.type);
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(4, 9, &var));   ASSERT_EQ(TT_EMPTY, var.type);
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(5, 9, &var));   ASSERT_EQ(TT_EMPTY, var.type);
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(6, 9, &var));   ASSERT_NEAR(0, var.dVal, ::pow(10., -3));
+
+	// Soln_3
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(1, 10, &var));   ASSERT_EQ(TT_EMPTY, var.type);
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(2, 10, &var));   ASSERT_EQ(TT_EMPTY, var.type);
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(3, 10, &var));   ASSERT_EQ(TT_EMPTY, var.type);
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(4, 10, &var));   ASSERT_EQ(TT_EMPTY, var.type);
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(5, 10, &var));   ASSERT_EQ(TT_EMPTY, var.type);
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(6, 10, &var));   ASSERT_NEAR(1, var.dVal, ::pow(10., -3));
+
+	// Soln_3_min
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(1, 11, &var));   ASSERT_EQ(TT_EMPTY, var.type);
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(2, 11, &var));   ASSERT_EQ(TT_EMPTY, var.type);
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(3, 11, &var));   ASSERT_EQ(TT_EMPTY, var.type);
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(4, 11, &var));   ASSERT_EQ(TT_EMPTY, var.type);
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(5, 11, &var));   ASSERT_EQ(TT_EMPTY, var.type);
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(6, 11, &var));   ASSERT_NEAR(0, var.dVal, ::pow(10., -3));
+
+	// Soln_3_max
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(1, 12, &var));   ASSERT_EQ(TT_EMPTY, var.type);
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(2, 12, &var));   ASSERT_EQ(TT_EMPTY, var.type);
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(3, 12, &var));   ASSERT_EQ(TT_EMPTY, var.type);
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(4, 12, &var));   ASSERT_EQ(TT_EMPTY, var.type);
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(5, 12, &var));   ASSERT_EQ(TT_EMPTY, var.type);
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(6, 12, &var));   ASSERT_NEAR(0, var.dVal, ::pow(10., -3));
+
+	// Halite
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(1, 13, &var));   ASSERT_EQ(TT_EMPTY, var.type);
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(2, 13, &var));   ASSERT_EQ(TT_EMPTY, var.type);
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(3, 13, &var));   ASSERT_EQ(TT_EMPTY, var.type);
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(4, 13, &var));   ASSERT_EQ(TT_EMPTY, var.type);
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(5, 13, &var));   ASSERT_EQ(TT_EMPTY, var.type);
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(6, 13, &var));   ASSERT_NEAR(0.001, var.dVal, ::pow(10., -3));
+
+	// Halite_min
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(1, 14, &var));   ASSERT_EQ(TT_EMPTY, var.type);
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(2, 14, &var));   ASSERT_EQ(TT_EMPTY, var.type);
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(3, 14, &var));   ASSERT_EQ(TT_EMPTY, var.type);
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(4, 14, &var));   ASSERT_EQ(TT_EMPTY, var.type);
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(5, 14, &var));   ASSERT_EQ(TT_EMPTY, var.type);
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(6, 14, &var));   ASSERT_NEAR(0, var.dVal, ::pow(10., -3));
+
+	// Halite_max
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(1, 15, &var));   ASSERT_EQ(TT_EMPTY, var.type);
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(2, 15, &var));   ASSERT_EQ(TT_EMPTY, var.type);
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(3, 15, &var));   ASSERT_EQ(TT_EMPTY, var.type);
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(4, 15, &var));   ASSERT_EQ(TT_EMPTY, var.type);
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(5, 15, &var));   ASSERT_EQ(TT_EMPTY, var.type);
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(6, 15, &var));   ASSERT_NEAR(0, var.dVal, ::pow(10., -3));
+
+	// edge cases
+	r = obj.GetSelectedOutputRowCount();
+	c = obj.GetSelectedOutputColumnCount();
+	ASSERT_EQ(VR_INVALIDROW, obj.GetSelectedOutputValue(-1, 0, &var));  ASSERT_EQ(TT_ERROR, var.type);  ASSERT_EQ(VR_INVALIDROW, var.vresult);
+	ASSERT_EQ(VR_INVALIDROW, obj.GetSelectedOutputValue(r, 0, &var));  ASSERT_EQ(TT_ERROR, var.type);  ASSERT_EQ(VR_INVALIDROW, var.vresult);
+	ASSERT_EQ(VR_INVALIDCOL, obj.GetSelectedOutputValue(0, -1, &var));  ASSERT_EQ(TT_ERROR, var.type);  ASSERT_EQ(VR_INVALIDCOL, var.vresult);
+	ASSERT_EQ(VR_INVALIDCOL, obj.GetSelectedOutputValue(0, c, &var));  ASSERT_EQ(TT_ERROR, var.type);  ASSERT_EQ(VR_INVALIDCOL, var.vresult);
+
+	obj.SetCurrentSelectedOutputUserNumber(3);
+	ASSERT_EQ(2, obj.GetSelectedOutputRowCount());
+	ASSERT_EQ(12, obj.GetSelectedOutputColumnCount());
+
+	// headings
+	ncol = 0;
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(0, ncol++, &var));   ASSERT_EQ(std::string("Sum_resid"), std::string(var.sVal));
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(0, ncol++, &var));   ASSERT_EQ(std::string("Sum_Delta/U"), std::string(var.sVal));
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(0, ncol++, &var));   ASSERT_EQ(std::string("MaxFracErr"), std::string(var.sVal));
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(0, ncol++, &var));   ASSERT_EQ(std::string("Soln_2"), std::string(var.sVal));
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(0, ncol++, &var));   ASSERT_EQ(std::string("Soln_2_min"), std::string(var.sVal));
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(0, ncol++, &var));   ASSERT_EQ(std::string("Soln_2_max"), std::string(var.sVal));
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(0, ncol++, &var));   ASSERT_EQ(std::string("Soln_3"), std::string(var.sVal));
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(0, ncol++, &var));   ASSERT_EQ(std::string("Soln_3_min"), std::string(var.sVal));
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(0, ncol++, &var));   ASSERT_EQ(std::string("Soln_3_max"), std::string(var.sVal));
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(0, ncol++, &var));   ASSERT_EQ(std::string("Halite"), std::string(var.sVal));
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(0, ncol++, &var));   ASSERT_EQ(std::string("Halite_min"), std::string(var.sVal));
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(0, ncol++, &var));   ASSERT_EQ(std::string("Halite_max"), std::string(var.sVal));
+
+	// Sum_resid
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(1, 0, &var));   ASSERT_NEAR(4.12e-13, var.dVal, ::pow(10., log10(4.12e-13) - 2));
+
+	// Sum_Delta/U
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(1, 1, &var));   ASSERT_NEAR(0, var.dVal, ::pow(10., -3));
+
+	// MaxFracErr
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(1, 2, &var));   ASSERT_NEAR(0, var.dVal, ::pow(10., -3));
+
+	// Soln_2
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(1, 3, &var));   ASSERT_NEAR(1, var.dVal, ::pow(10., -3));
+
+	// Soln_2_min
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(1, 4, &var));   ASSERT_NEAR(0, var.dVal, ::pow(10., -3));
+
+	// Soln_2_max
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(1, 5, &var));   ASSERT_NEAR(0, var.dVal, ::pow(10., -3));
+
+	// Soln_3
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(1, 6, &var));   ASSERT_NEAR(1, var.dVal, ::pow(10., -3));
+
+	// Soln_3_min
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(1, 7, &var));   ASSERT_NEAR(0, var.dVal, ::pow(10., -3));
+
+	// Soln_3_max
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(1, 8, &var));   ASSERT_NEAR(0, var.dVal, ::pow(10., -3));
+
+	// Halite
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(1, 9, &var));   ASSERT_NEAR(0.001, var.dVal, ::pow(10., -3));
+
+	// Halite_min
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(1, 10, &var));   ASSERT_NEAR(0, var.dVal, ::pow(10., -3));
+
+	// Halite_max
+	ASSERT_EQ(VR_OK, obj.GetSelectedOutputValue(1, 11, &var));   ASSERT_NEAR(0, var.dVal, ::pow(10., -3));
+
+
+	// edge cases
+	r = obj.GetSelectedOutputRowCount();
+	c = obj.GetSelectedOutputColumnCount();
+	ASSERT_EQ(VR_INVALIDROW, obj.GetSelectedOutputValue(-1, 0, &var));  ASSERT_EQ(TT_ERROR, var.type);  ASSERT_EQ(VR_INVALIDROW, var.vresult);
+	ASSERT_EQ(VR_INVALIDROW, obj.GetSelectedOutputValue(r, 0, &var));  ASSERT_EQ(TT_ERROR, var.type);  ASSERT_EQ(VR_INVALIDROW, var.vresult);
+	ASSERT_EQ(VR_INVALIDCOL, obj.GetSelectedOutputValue(0, -1, &var));  ASSERT_EQ(TT_ERROR, var.type);  ASSERT_EQ(VR_INVALIDCOL, var.vresult);
+	ASSERT_EQ(VR_INVALIDCOL, obj.GetSelectedOutputValue(0, c, &var));  ASSERT_EQ(TT_ERROR, var.type);  ASSERT_EQ(VR_INVALIDCOL, var.vresult);
+
+	ASSERT_EQ(VR_INVALIDARG, obj.SetCurrentSelectedOutputUserNumber(-1));
+	ASSERT_EQ(VR_OK, obj.SetCurrentSelectedOutputUserNumber(0));
+}
+
+TEST(TestIPhreeqc, TestGetSelectedOutputCount)
+{
+	CVar var;
+	IPhreeqc obj;
+
+	ASSERT_EQ(0, obj.GetSelectedOutputCount());
+	ASSERT_EQ(0, obj.LoadDatabase("phreeqc.dat"));
+	ASSERT_EQ(0, obj.GetSelectedOutputCount());
+	ASSERT_EQ(0, obj.RunFile("multi_punch"));
+	ASSERT_EQ(3, obj.GetSelectedOutputCount());
+}
+
+TEST(TestIPhreeqc, TestGetNthSelectedOutputUserNumber)
+{
+	CVar var;
+	IPhreeqc obj;
+
+	ASSERT_EQ(0, obj.LoadDatabase("phreeqc.dat"));
+	ASSERT_EQ(0, obj.RunFile("multi_punch"));
+
+	ASSERT_EQ(3, obj.GetSelectedOutputCount());
+
+	ASSERT_EQ(1, obj.GetNthSelectedOutputUserNumber(0));
+	ASSERT_EQ(2, obj.GetNthSelectedOutputUserNumber(1));
+	ASSERT_EQ(3, obj.GetNthSelectedOutputUserNumber(2));
+
+	// edge cases
+	ASSERT_EQ((int)VR_INVALIDARG, obj.GetNthSelectedOutputUserNumber(-1));
+	ASSERT_EQ((int)VR_INVALIDARG, obj.GetNthSelectedOutputUserNumber(4));
+}
+
+TEST(TestIPhreeqc, TestGetCurrentSelectedOutputUserNumber)
+{
+	IPhreeqc obj;
+	ASSERT_EQ(1, obj.GetCurrentSelectedOutputUserNumber());
+
+	ASSERT_EQ(0, obj.LoadDatabase("phreeqc.dat"));
+	ASSERT_EQ(1, obj.GetCurrentSelectedOutputUserNumber());
+	ASSERT_EQ(0, obj.RunFile("multi_punch"));
+
+	ASSERT_EQ(1, obj.GetCurrentSelectedOutputUserNumber());
+	ASSERT_EQ(6, obj.GetSelectedOutputRowCount());
+	ASSERT_EQ(35, obj.GetSelectedOutputColumnCount());
+
+	obj.SetCurrentSelectedOutputUserNumber(2);
+	ASSERT_EQ(2, obj.GetCurrentSelectedOutputUserNumber());
+	ASSERT_EQ(7, obj.GetSelectedOutputRowCount());
+	ASSERT_EQ(16, obj.GetSelectedOutputColumnCount());
+
+	obj.SetCurrentSelectedOutputUserNumber(3);
+	ASSERT_EQ(3, obj.GetCurrentSelectedOutputUserNumber());
+	ASSERT_EQ(2, obj.GetSelectedOutputRowCount());
+	ASSERT_EQ(12, obj.GetSelectedOutputColumnCount());
+
+	// edge cases
+	ASSERT_EQ(VR_INVALIDARG, obj.SetCurrentSelectedOutputUserNumber(-1));
+	ASSERT_EQ(3, obj.GetCurrentSelectedOutputUserNumber());
+	ASSERT_EQ(VR_OK, obj.SetCurrentSelectedOutputUserNumber(0));
+	ASSERT_EQ(0, obj.GetCurrentSelectedOutputUserNumber());
+
+	// unload database
+	ASSERT_EQ(0, obj.LoadDatabase("phreeqc.dat"));
+	ASSERT_EQ(1, obj.GetCurrentSelectedOutputUserNumber());
+	ASSERT_EQ(0, obj.GetSelectedOutputCount());
+}
+
+TEST(TestIPhreeqc, TestMultiSetSelectedOutputFileName)
+{
+	FileTest set1("state.sel");
+	ASSERT_TRUE(set1.RemoveExisting());
+
+	FileTest set2("si.sel");
+	ASSERT_TRUE(set2.RemoveExisting());
+
+	IPhreeqc obj;
+
+	ASSERT_EQ(0, obj.LoadDatabase("phreeqc.dat"));
+
+	ASSERT_EQ(VR_OK, obj.SetCurrentSelectedOutputUserNumber(1));
+	obj.SetSelectedOutputStringOn(true);
+	obj.SetSelectedOutputFileOn(true);
+	obj.SetSelectedOutputFileName(set1.GetName().c_str());
+
+	ASSERT_EQ(VR_OK, obj.SetCurrentSelectedOutputUserNumber(2));
+	obj.SetSelectedOutputStringOn(true);
+	obj.SetSelectedOutputFileOn(true);
+	obj.SetSelectedOutputFileName(set2.GetName().c_str());
+
+	obj.AccumulateLine("TITLE Temperature dependence of solubility");
+	obj.AccumulateLine("      of gypsum and anhydrite             ");
+	obj.AccumulateLine("SOLUTION 1 Pure water                     ");
+	obj.AccumulateLine("        pH      7.0                       ");
+	obj.AccumulateLine("        temp    25.0                      ");
+	obj.AccumulateLine("EQUILIBRIUM_PHASES 1                      ");
+	obj.AccumulateLine("        Gypsum          0.0     1.0       ");
+	obj.AccumulateLine("        Anhydrite       0.0     1.0       ");
+	obj.AccumulateLine("REACTION_TEMPERATURE 1                    ");
+	obj.AccumulateLine("        25.0 75.0 in 51 steps             ");
+	obj.AccumulateLine("SELECTED_OUTPUT 1                         ");
+	obj.AccumulateLine("        -temperature                      ");
+	obj.AccumulateLine("SELECTED_OUTPUT 2                         ");
+	obj.AccumulateLine("        -si     anhydrite  gypsum         ");
+	obj.AccumulateLine("END                                       ");
+
+	ASSERT_EQ(0, obj.RunAccumulated());
+
+	ASSERT_TRUE(set1.VerifyExists());
+	ASSERT_TRUE(set2.VerifyExists());
+}
+
+TEST(TestIPhreeqc, TestWissmeier20131203)
+{
+	IPhreeqc obj;
+	ASSERT_EQ(0, obj.LoadDatabase("phreeqc.dat"));
+
+	obj.AccumulateLine("selected_output 1");
+	obj.AccumulateLine("-totals O");
+	obj.AccumulateLine("");
+	obj.AccumulateLine("END");
+	obj.AccumulateLine("selected_output 1");
+	obj.AccumulateLine("-totals H");
+	obj.AccumulateLine("");
+	obj.AccumulateLine("solution");
+	obj.AccumulateLine("END");
+	obj.AccumulateLine("selected_output");
+
+	// original asserts here
+	ASSERT_EQ(0, obj.RunAccumulated());
+
+	ASSERT_EQ(1, obj.GetSelectedOutputCount());
+
+	ASSERT_EQ(9, obj.GetSelectedOutputColumnCount());
+	ASSERT_EQ(2, obj.GetSelectedOutputRowCount());
+}
+
+TEST(TestIPhreeqc, TestWissmeier20131203_2)
+{
+	IPhreeqc obj;
+	ASSERT_EQ(0, obj.LoadDatabase("phreeqc.dat"));
+
+	obj.AccumulateLine("selected_output 22");
+	obj.AccumulateLine("-totals O");
+	obj.AccumulateLine("");
+	obj.AccumulateLine("END");
+	obj.AccumulateLine("selected_output 22");
+	obj.AccumulateLine("-totals H");
+	obj.AccumulateLine("");
+	obj.AccumulateLine("solution");
+	obj.AccumulateLine("END");
+	obj.AccumulateLine("selected_output 22");
+
+	// original asserts here
+	ASSERT_EQ(0, obj.RunAccumulated());
+
+	ASSERT_EQ(1, obj.GetSelectedOutputCount());
+
+	ASSERT_EQ(VR_OK, obj.SetCurrentSelectedOutputUserNumber(22));
+	ASSERT_EQ(1, obj.GetSelectedOutputColumnCount());
+	ASSERT_EQ(2, obj.GetSelectedOutputRowCount());
+}
+
+TEST(TestIPhreeqc, TestWissmeier20131203_3)
+{
+	IPhreeqc obj;
+
+	ASSERT_EQ(0, obj.LoadDatabase("phreeqc.dat"));
+
+	obj.AccumulateLine("selected_output 1");
+	obj.AccumulateLine("-reset false");
+	obj.AccumulateLine("-totals O");
+	obj.AccumulateLine("");
+	obj.AccumulateLine("END");
+	obj.AccumulateLine("selected_output 1");
+	obj.AccumulateLine("-reset false");
+	obj.AccumulateLine("-totals H");
+	obj.AccumulateLine("");
+	obj.AccumulateLine("solution");
+	obj.AccumulateLine("END");
+	obj.AccumulateLine("selected_output");
+	obj.AccumulateLine("-reset false");
+
+	// original asserts here
+	ASSERT_EQ(0, obj.RunAccumulated());
+
+	ASSERT_EQ(1, obj.GetSelectedOutputCount());
+
+	ASSERT_EQ(1, obj.GetSelectedOutputColumnCount());
+	ASSERT_EQ(2, obj.GetSelectedOutputRowCount());
+}
+
+TEST(TestIPhreeqc, TestKinniburgh20140218)
+{
+	IPhreeqc obj;
+	ASSERT_EQ(0, obj.LoadDatabase("wateq4f.dat"));
+	EXPECT_EQ(0, obj.RunFile("kinn20140218")) << obj.GetErrorString();
+	std::string sline(obj.GetErrorString());
+	std::cerr << sline;
+}
+
+TEST(TestIPhreeqc, TestGetAccumulatedLines)
+{
+	IPhreeqc obj;
+	ASSERT_EQ(VR_OK, obj.AccumulateLine("solution 12"));
+	ASSERT_EQ(VR_OK, obj.AccumulateLine("solution 13"));
+
+	for (int i = 0; i < 10; ++i)
+	{
+		ASSERT_EQ(1, obj.RunAccumulated());
+		const char expected[] = "solution 12\nsolution 13\n";
+		ASSERT_EQ(std::string(expected), obj.GetAccumulatedLines());
+	}
+
+	ASSERT_EQ(VR_OK, obj.AccumulateLine("solution 22"));
+	for (int i = 0; i < 10; ++i)
+	{
+		ASSERT_EQ(1, obj.RunAccumulated());
+		const char expected[] = "solution 22\n";
+		ASSERT_EQ(std::string(expected), obj.GetAccumulatedLines());
+	}
+}
+
+TEST(TestIPhreeqc, TestGetAccumulatedLinesAfterRunFile)
+{
+	IPhreeqc obj;
+	ASSERT_EQ(0, obj.LoadDatabase("wateq4f.dat"));
+	ASSERT_EQ(VR_OK, obj.AccumulateLine("solution 12"));
+	ASSERT_EQ(VR_OK, obj.AccumulateLine("solution 13"));
+
+	for (int i = 0; i < 10; ++i)
+	{
+		ASSERT_EQ(0, obj.RunFile("kinn20140218"));
+		const char expected[] = "";
+		ASSERT_EQ(std::string(expected), obj.GetAccumulatedLines());
+	}
+}
+
+TEST(TestIPhreeqc, TestGetAccumulatedLinesAfterRunString)
+{
+	const char input[] =
+		"TITLE Example 1.--Add uranium and speciate seawater.\n"
+		"SOLUTION 1  SEAWATER FROM NORDSTROM ET AL. (1979)\n"
+		"        units   ppm\n"
+		"        pH      8.22\n"
+		"        pe      8.451\n"
+		"        density 1.023\n"
+		"        temp    25.0\n"
+		"        redox   O(0)/O(-2)\n"
+		"        Ca              412.3\n"
+		"        Mg              1291.8\n"
+		"        Na              10768.0\n"
+		"        K               399.1\n"
+		"        Fe              0.002\n"
+		"        Mn              0.0002  pe\n"
+		"        Si              4.28\n"
+		"        Cl              19353.0\n"
+		"        Alkalinity      141.682 as HCO3\n"
+		"        S(6)            2712.0\n"
+		"        N(5)            0.29    gfw   62.0\n"
+		"        N(-3)           0.03    as    NH4\n"
+		"        U               3.3     ppb   N(5)/N(-3)\n"
+		"        O(0)            1.0     O2(g) -0.7\n"
+		"SOLUTION_MASTER_SPECIES\n"
+		"        U       U+4     0.0     238.0290     238.0290\n"
+		"        U(4)    U+4     0.0     238.0290\n"
+		"        U(5)    UO2+    0.0     238.0290\n"
+		"        U(6)    UO2+2   0.0     238.0290\n"
+		"SOLUTION_SPECIES\n"
+		"        #primary master species for U\n"
+		"        #is also secondary master species for U(4)\n"
+		"        U+4 = U+4\n"
+		"                log_k          0.0\n"
+		"        U+4 + 4 H2O = U(OH)4 + 4 H+\n"
+		"                log_k          -8.538\n"
+		"                delta_h        24.760 kcal\n"
+		"        U+4 + 5 H2O = U(OH)5- + 5 H+\n"
+		"                log_k          -13.147\n"
+		"                delta_h        27.580 kcal\n"
+		"        #secondary master species for U(5)\n"
+		"        U+4 + 2 H2O = UO2+ + 4 H+ + e-\n"
+		"                log_k          -6.432\n"
+		"                delta_h        31.130 kcal\n"
+		"        #secondary master species for U(6)\n"
+		"        U+4 + 2 H2O = UO2+2 + 4 H+ + 2 e-\n"
+		"                log_k          -9.217\n"
+		"                delta_h        34.430 kcal\n"
+		"        UO2+2 + H2O = UO2OH+ + H+\n"
+		"                log_k          -5.782\n"
+		"                delta_h        11.015 kcal\n"
+		"        2UO2+2 + 2H2O = (UO2)2(OH)2+2 + 2H+\n"
+		"                log_k          -5.626\n"
+		"                delta_h        -36.04 kcal\n"
+		"        3UO2+2 + 5H2O = (UO2)3(OH)5+ + 5H+\n"
+		"                log_k          -15.641\n"
+		"                delta_h        -44.27 kcal\n"
+		"        UO2+2 + CO3-2 = UO2CO3\n"
+		"                log_k          10.064\n"
+		"                delta_h        0.84 kcal\n"
+		"        UO2+2 + 2CO3-2 = UO2(CO3)2-2\n"
+		"                log_k          16.977\n"
+		"                delta_h        3.48 kcal\n"
+		"        UO2+2 + 3CO3-2 = UO2(CO3)3-4\n"
+		"                log_k          21.397\n"
+		"                delta_h        -8.78 kcal\n"
+		"PHASES\n"
+		"        Uraninite\n"
+		"        UO2 + 4 H+ = U+4 + 2 H2O\n"
+		"        log_k          -3.490\n"
+		"        delta_h        -18.630 kcal\n"
+		"END\n"
+		"\n";
+
+	IPhreeqc obj;
+	ASSERT_EQ(0, obj.LoadDatabase("phreeqc.dat"));
+	ASSERT_EQ(VR_OK, obj.AccumulateLine("solution 12"));
+	ASSERT_EQ(VR_OK, obj.AccumulateLine("solution 13"));
+
+	for (int i = 0; i < 10; ++i)
+	{
+		ASSERT_EQ(0, obj.RunString(input));
+		const char expected[] = "";
+		ASSERT_EQ(std::string(expected), obj.GetAccumulatedLines());
+	}
+}
+
+TEST(TestIPhreeqc, TestPBasicStopThrow)
+{
+	IPhreeqc obj;
+
+	ASSERT_EQ(0, obj.LoadDatabase("phreeqc.dat"));
+
+	ASSERT_EQ(VR_OK, obj.AccumulateLine("SOLUTION 1 # Mine water from Bain et al., 2001"));
+	ASSERT_EQ(VR_OK, obj.AccumulateLine("USER_PRINT"));
+	ASSERT_EQ(VR_OK, obj.AccumulateLine("10 print -(0.006^0.9)"));
+	ASSERT_EQ(VR_OK, obj.AccumulateLine("20 print TOTMOL(\"H\"), TOTMOLE(\"H\"), TOTMOLES(\"H\")"));
+	ASSERT_EQ(VR_OK, obj.AccumulateLine("110 print (-0.2)^3"));
+	ASSERT_EQ(VR_OK, obj.AccumulateLine("120 print (-0.2)^3.0"));
+	ASSERT_EQ(VR_OK, obj.AccumulateLine("130 print (-0.2)^-2"));
+	ASSERT_EQ(VR_OK, obj.AccumulateLine("140 print (-0.2)^-3"));
+	ASSERT_EQ(VR_OK, obj.AccumulateLine("150 print -0.2^2.2"));
+	ASSERT_EQ(VR_OK, obj.AccumulateLine("END"));
+
+	obj.SetOutputFileOn(true);
+	ASSERT_EQ(5, obj.RunAccumulated());
+}
+
+TEST(TestIPhreeqc, TestEx10)
+{
+	const char input[] =
+		"TITLE Example 10.--Solid solution of strontianite and aragonite.\n"
+		"PHASES\n"
+		"        Strontianite\n"
+		"                SrCO3 = CO3-2 + Sr+2\n"
+		"                log_k           -9.271\n"
+		"        Aragonite\n"
+		"                CaCO3 = CO3-2 + Ca+2\n"
+		"                log_k           -8.336\n"
+		"END\n"
+		"SOLID_SOLUTIONS 1\n"
+		"        Ca(x)Sr(1-x)CO3 \n"
+		"                -comp1   Aragonite       0 \n"
+		"                -comp2   Strontianite    0 \n"
+		"                -Gugg_nondim   3.43    -1.82\n"
+		"END\n"
+		"SOLUTION 1\n"
+		"        -units mmol/kgw\n"
+		"        pH 5.93 charge\n"
+		"        Ca      3.932\n"
+		"        C       7.864\n"
+		"EQUILIBRIUM_PHASES 1\n"
+		"        CO2(g) -0.01265 10\n"
+		"        Aragonite\n"
+		"SAVE solution 1\n"
+		"END\n"
+		"#\n"
+		"#  Total of 0.00001 to 0.005 moles of SrCO3 added\n"
+		"#\n"
+		"USE solution 1\n"
+		"USE solid_solution 1\n"
+		"REACTION 1\n"
+		"        SrCO3   1.0\n"
+		"        .005 in 500 steps \n"
+		"PRINT\n"
+		"        -reset false\n"
+		"        -echo true\n"
+		"        -user_print true\n"
+		"USER_PRINT\n"
+		"-start\n"
+		"  10 sum = (S_S(\"Strontianite\") + S_S(\"Aragonite\"))\n"
+		"  20 if sum = 0 THEN GOTO 110\n"
+		"  30 xb = S_S(\"Strontianite\")/sum\n"
+		"  40 xc = S_S(\"Aragonite\")/sum\n"
+		"  50 PRINT \"Simulation number:    \", SIM_NO\n"
+		"  60 PRINT \"Reaction step number: \", STEP_NO\n"
+		"  70 PRINT \"SrCO3 added:          \", RXN\n"
+		"  80 PRINT \"Log Sigma pi:         \", LOG10 (ACT(\"CO3-2\") * (ACT(\"Ca+2\") + ACT(\"Sr+2\")))\n"
+		"  90 PRINT \"XAragonite:           \", xc\n"
+		" 100 PRINT \"XStrontianite:        \", xb\n"
+		" 110 PRINT \"XCa:                  \", TOT(\"Ca\")/(TOT(\"Ca\") + TOT(\"Sr\"))\n"
+		" 120 PRINT \"XSr:                  \", TOT(\"Sr\")/(TOT(\"Ca\") + TOT(\"Sr\"))\n"
+		" 130 PRINT \"Misc 1:               \", MISC1(\"Ca(x)Sr(1-x)CO3\")\n"
+		" 140 PRINT \"Misc 2:               \", MISC2(\"Ca(x)Sr(1-x)CO3\")\n"
+		"-end\n"
+		"SELECTED_OUTPUT\n"
+		"        -file ex10.sel\n"
+		"        -reset false\n"
+		"        -reaction true\n"
+		"USER_PUNCH\n"
+		"-head   lg_SigmaPi X_Arag X_Stront X_Ca_aq X_Sr_aq mol_Misc1 mol_Misc2 \\n"
+		"     mol_Arag mol_Stront\n"
+		"-start\n"
+		"  10 sum = (S_S(\"Strontianite\") + S_S(\"Aragonite\"))\n"
+		"  20 if sum = 0 THEN GOTO 60\n"
+		"  30 xb = S_S(\"Strontianite\")/(S_S(\"Strontianite\") + S_S(\"Aragonite\"))\n"
+		"  40 xc = S_S(\"Aragonite\")/(S_S(\"Strontianite\") + S_S(\"Aragonite\"))\n"
+		"  50 REM Sigma Pi\n"
+		"  60 PUNCH LOG10(ACT(\"CO3-2\") * (ACT(\"Ca+2\") + ACT(\"Sr+2\")))\n"
+		"  70 PUNCH xc                                 # Mole fraction aragonite\n"
+		"  80 PUNCH xb                                 # Mole fraction strontianite\n"
+		"  90 PUNCH TOT(\"Ca\")/(TOT(\"Ca\") + TOT(\"Sr\"))  # Mole aqueous calcium\n"
+		"  100 PUNCH TOT(\"Sr\")/(TOT(\"Ca\") + TOT(\"Sr\")) # Mole aqueous strontium\n"
+		"  110 x1 = MISC1(\"Ca(x)Sr(1-x)CO3\")\n"
+		"  120 x2 = MISC2(\"Ca(x)Sr(1-x)CO3\")\n"
+		"  130 if (xb < x1 OR xb > x2) THEN GOTO 250\n"
+		"  140    nc = S_S(\"Aragonite\")\n"
+		"  150    nb = S_S(\"Strontianite\")\n"
+		"  160    mol2 = ((x1 - 1)/x1)*nb + nc\n"
+		"  170    mol2 = mol2 / ( ((x1 -1)/x1)*x2 + (1 - x2))\n"
+		"  180    mol1 = (nb - mol2*x2)/x1\n"
+		"  190    REM                                 # Moles of misc. end members if in gap\n"
+		"  200    PUNCH mol1\n"
+		"  210    PUNCH mol2\n"
+		"  220    GOTO 300\n"
+		"  250    REM                                 # Moles of misc. end members if not in gap\n"
+		"  260    PUNCH 1e-10\n"
+		"  270    PUNCH 1e-10\n"
+		"  300 PUNCH S_S(\"Aragonite\")                 # Moles aragonite\n"
+		"  310 PUNCH S_S(\"Strontianite\")              # Moles Strontianite\n"
+		"-end\n"
+		"USER_GRAPH Example 10\n"
+		"        -headings x_Aragonite  x_Srontianite\n"
+		"        -chart_title \"Aragonite-Strontianite Solid Solution\"\n"
+		"        -axis_titles \"Log(SrCO3 added, in moles)\" \"Log(Mole fraction of component)\"\n"
+		"        -axis_scale x_axis -5 1 1 1\n"
+		"        -axis_scale y_axis -5 0.1 1 1\n"
+		"        -connect_simulations true\n"
+		"        -start\n"
+		"  10 sum = (S_S(\"Strontianite\") + S_S(\"Aragonite\"))\n"
+		"  20 IF sum = 0 THEN GOTO 70\n"
+		"  30 xb = S_S(\"Strontianite\")/ sum\n"
+		"  40 xc = S_S(\"Aragonite\")/ sum\n"
+		"  50 PLOT_XY LOG10(RXN), LOG10(xc), line_w = 2, symbol_size = 0\n"
+		"  60 PLOT_XY LOG10(RXN), LOG10(xb), line_w = 2, symbol_size = 0\n"
+		"  70 rem\n"
+		"  -end\n"
+		"END     \n"
+		"#\n"
+		"#  Total of 0.005 to 0.1 moles of SrCO3 added\n"
+		"#\n"
+		"USE solution 1\n"
+		"USE solid_solution 1\n"
+		"REACTION 1\n"
+		"        SrCO3   1.0\n"
+		"        .1 in 20 steps \n"
+		"END     \n"
+		"#\n"
+		"#  Total of 0.1 to 10 moles of SrCO3 added\n"
+		"#\n"
+		"USE solution 1\n"
+		"USE solid_solution 1\n"
+		"REACTION 1\n"
+		"        SrCO3   1.0\n"
+		"        10.0 in 100 steps \n"
+		"END     \n";
+
+	IPhreeqc obj;
+	ASSERT_EQ(0, obj.LoadDatabase("phreeqc.dat"));
+	ASSERT_EQ(VR_OK, obj.AccumulateLine("solution 12"));
+	ASSERT_EQ(VR_OK, obj.AccumulateLine("solution 13"));
+
+	for (int i = 0; i < 10; ++i)
+	{
+		ASSERT_EQ(0, obj.RunString(input));
+		const char expected[] = "";
+		ASSERT_EQ(std::string(expected), obj.GetAccumulatedLines());
+	}
+}