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iphreeqc/unit/TestIPhreeqcLib.cpp
Scott R Charlton 298a715b8b Renamed GetLastErrorString to GetErrorString 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@4339 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2010-05-04 23:36:21 +00:00

1999 lines
72 KiB
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#include "TestIPhreeqcLib.h"
#include "IPhreeqc.h"
#include "CVar.hxx"
#if defined(_WIN32)
#include <windows.h>
#endif
#include <cmath>
#include <cfloat>
#if defined(_WIN32) || defined(__CYGWIN32__)
// DeleteFile defined in <windows.h>
#else
int DeleteFile(const char* szPathName);
#endif
bool FileExists(const char *szPathName);
IPQ_RESULT SOLUTION(int n, double C, double Ca, double Na);
IPQ_RESULT EQUILIBRIUM_PHASES(int n, const char* phase, double si, double amount);
IPQ_RESULT USER_PUNCH(int n, const char* element, int max);
IPQ_RESULT SELECTED_OUTPUT(int n);
IPQ_RESULT DUMP(int n);
TestIPhreeqcLib::TestIPhreeqcLib(void)
{
}
TestIPhreeqcLib::~TestIPhreeqcLib(void)
{
}
void TestIPhreeqcLib::TestCreateIPhreeqc(void)
{
int n = ::CreateIPhreeqc();
CPPUNIT_ASSERT(n >= 0);
if (n >= 0)
{
CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::DestroyIPhreeqc(n));
}
}
void TestIPhreeqcLib::TestDestroyIPhreeqc(void)
{
for (int i = 0; i < 10; ++i)
{
CPPUNIT_ASSERT_EQUAL(IPQ_BADINSTANCE, ::DestroyIPhreeqc(i));
}
int n = ::CreateIPhreeqc();
CPPUNIT_ASSERT(n >= 0);
if (n >= 0)
{
CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::DestroyIPhreeqc(n));
}
}
void TestIPhreeqcLib::TestLoadDatabase(void)
{
int n = ::CreateIPhreeqc();
CPPUNIT_ASSERT(n >= 0);
for (int i = 0; i < 10; ++i)
{
CPPUNIT_ASSERT_EQUAL(true, ::FileExists("phreeqc.dat"));
CPPUNIT_ASSERT_EQUAL(0, ::LoadDatabase(n, "phreeqc.dat"));
}
if (n >= 0)
{
CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::DestroyIPhreeqc(n));
}
}
void TestIPhreeqcLib::TestLoadDatabaseString(void)
{
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";
int n = ::CreateIPhreeqc();
CPPUNIT_ASSERT(n >= 0);
for (int i = 0; i < 10; ++i)
{
CPPUNIT_ASSERT_EQUAL(0, ::LoadDatabaseString(n, ex15_dat));
}
if (n >= 0)
{
CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::DestroyIPhreeqc(n));
}
}
void TestIPhreeqcLib::TestLoadDatabaseMissingFile(void)
{
CPPUNIT_ASSERT_EQUAL(false, ::FileExists("missing.file"));
int n = ::CreateIPhreeqc();
CPPUNIT_ASSERT(n >= 0);
for (int i = 0; i < 10; ++i)
{
CPPUNIT_ASSERT_EQUAL(1, ::LoadDatabase(n, "missing.file"));
}
const char expected[] =
"ERROR: LoadDatabase: Unable to open:\"missing.file\".\n";
const char* err = ::GetErrorString(n);
CPPUNIT_ASSERT_EQUAL( std::string(expected), std::string(err) );
if (n >= 0)
{
CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::DestroyIPhreeqc(n));
}
}
void TestIPhreeqcLib::TestLoadDatabaseWithErrors(void)
{
CPPUNIT_ASSERT_EQUAL(true, ::FileExists("missing_e.dat"));
int n = ::CreateIPhreeqc();
CPPUNIT_ASSERT(n >= 0);
for (int i = 0; i < 10; ++i)
{
CPPUNIT_ASSERT_EQUAL(true, ::FileExists("missing_e.dat"));
CPPUNIT_ASSERT_EQUAL(6, ::LoadDatabase(n, "missing_e.dat"));
static 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 = ::GetErrorString(n);
CPPUNIT_ASSERT_EQUAL( std::string(expected), std::string(err) );
}
if (n >= 0)
{
CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::DestroyIPhreeqc(n));
}
}
void TestIPhreeqcLib::TestRunAccumulated(void)
{
int n = ::CreateIPhreeqc();
CPPUNIT_ASSERT(n >= 0);
CPPUNIT_ASSERT_EQUAL(0, ::LoadDatabase(n, "phreeqc.dat"));
CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::AccumulateLine(n, "solution 12"));
CPPUNIT_ASSERT_EQUAL(0, ::GetOutputOn(n));
CPPUNIT_ASSERT_EQUAL(0, ::GetErrorOn(n));
CPPUNIT_ASSERT_EQUAL(0, ::GetLogOn(n));
CPPUNIT_ASSERT_EQUAL(0, ::GetSelectedOutputOn(n));
CPPUNIT_ASSERT_EQUAL(0, ::GetDumpOn(n));
CPPUNIT_ASSERT_EQUAL(0, ::GetDumpStringOn(n));
CPPUNIT_ASSERT_EQUAL(0, ::RunAccumulated(n));
if (n >= 0)
{
CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::DestroyIPhreeqc(n));
}
}
void TestIPhreeqcLib::TestRunWithErrors()
{
const char dump_file[] = "error.inp";
// remove dump file if it exists
//
if (::FileExists(dump_file))
{
CPPUNIT_ASSERT(::DeleteFile(dump_file));
}
int n = ::CreateIPhreeqc();
CPPUNIT_ASSERT(n >= 0);
CPPUNIT_ASSERT_EQUAL(0, ::LoadDatabase(n, "phreeqc.dat"));
CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::AccumulateLine(n, "SOLUTION 1"));
CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::AccumulateLine(n, " pH 7"));
CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::AccumulateLine(n, " Na 1"));
CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::AccumulateLine(n, "PHASES"));
CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::AccumulateLine(n, " Fix_H+"));
CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::AccumulateLine(n, " H+ = H+"));
CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::AccumulateLine(n, " log_k 0"));
CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::AccumulateLine(n, "EQUILIBRIUM_PHASES"));
CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::AccumulateLine(n, " Fix_H+ -10 HCl 10"));
CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::AccumulateLine(n, "END"));
CPPUNIT_ASSERT_EQUAL(0, ::GetOutputOn(n));
CPPUNIT_ASSERT_EQUAL(0, ::GetErrorOn(n));
CPPUNIT_ASSERT_EQUAL(0, ::GetLogOn(n));
CPPUNIT_ASSERT_EQUAL(0, ::GetSelectedOutputOn(n));
CPPUNIT_ASSERT_EQUAL(0, ::GetDumpOn(n));
CPPUNIT_ASSERT_EQUAL(0, ::GetDumpStringOn(n));
CPPUNIT_ASSERT_EQUAL(1, ::RunAccumulated(n));
const char expected[] =
"ERROR: Numerical method failed on all combinations of convergence parameters\n";
const char* err = ::GetErrorString(n);
CPPUNIT_ASSERT_EQUAL( std::string(expected), std::string(err) );
if (n >= 0)
{
CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::DestroyIPhreeqc(n));
}
CPPUNIT_ASSERT_EQUAL(true, ::FileExists(dump_file) );
CPPUNIT_ASSERT(::DeleteFile(dump_file));
}
void TestIPhreeqcLib::TestRunFile(void)
{
static const char dump_file[] = "error.inp";
// remove dump file if it exists
//
if (::FileExists(dump_file))
{
CPPUNIT_ASSERT(::DeleteFile(dump_file));
}
int n = ::CreateIPhreeqc();
CPPUNIT_ASSERT(n >= 0);
CPPUNIT_ASSERT_EQUAL(true, ::FileExists("phreeqc.dat"));
CPPUNIT_ASSERT_EQUAL(0, ::LoadDatabase(n, "phreeqc.dat"));
CPPUNIT_ASSERT_EQUAL(0, ::GetOutputOn(n));
CPPUNIT_ASSERT_EQUAL(0, ::GetErrorOn(n));
CPPUNIT_ASSERT_EQUAL(0, ::GetLogOn(n));
CPPUNIT_ASSERT_EQUAL(0, ::GetSelectedOutputOn(n));
CPPUNIT_ASSERT_EQUAL(0, ::GetDumpOn(n));
CPPUNIT_ASSERT_EQUAL(0, ::GetDumpStringOn(n));
CPPUNIT_ASSERT_EQUAL(true, ::FileExists("conv_fail.in"));
CPPUNIT_ASSERT_EQUAL(1, ::RunFile(n, "conv_fail.in"));
static const char expected[] =
"ERROR: Numerical method failed on all combinations of convergence parameters\n";
const char* err = ::GetErrorString(n);
CPPUNIT_ASSERT_EQUAL(std::string(expected), std::string(err));
if (n >= 0)
{
CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::DestroyIPhreeqc(n));
}
// Note: should this file exist since GetDumpOn is false?
CPPUNIT_ASSERT_EQUAL(true, ::FileExists(dump_file));
CPPUNIT_ASSERT(::DeleteFile(dump_file));
}
void TestIPhreeqcLib::TestRunString(void)
{
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";
if (::FileExists("phreeqc.out"))
{
CPPUNIT_ASSERT(::DeleteFile("phreeqc.out"));
}
CPPUNIT_ASSERT_EQUAL(false, ::FileExists("phreeqc.out"));
int n = ::CreateIPhreeqc();
CPPUNIT_ASSERT(n >= 0);
CPPUNIT_ASSERT_EQUAL(0, ::LoadDatabase(n, "phreeqc.dat"));
::SetOutputOn(n, 1);
::SetErrorOn(n, 0);
::SetLogOn(n, 0);
::SetSelectedOutputOn(n, 0);
::SetDumpOn(n, 0);
CPPUNIT_ASSERT_EQUAL(false, ::FileExists("phreeqc.out"));
CPPUNIT_ASSERT_EQUAL(0, ::RunString(n, input));
CPPUNIT_ASSERT_EQUAL(true, ::FileExists("phreeqc.out"));
if (n >= 0)
{
CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::DestroyIPhreeqc(n));
}
if (::FileExists("phreeqc.out"))
{
CPPUNIT_ASSERT(::DeleteFile("phreeqc.out"));
}
}
void TestIPhreeqcLib::TestGetSelectedOutputRowCount()
{
int n = ::CreateIPhreeqc();
CPPUNIT_ASSERT(n >= 0);
CPPUNIT_ASSERT_EQUAL(true, ::FileExists("llnl.dat"));
CPPUNIT_ASSERT_EQUAL(0, ::LoadDatabase(n, "llnl.dat"));
int max = 6;
CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::SOLUTION(n, 1.0, 1.0, 1.0));
CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::EQUILIBRIUM_PHASES(n, "calcite", 0.0, 0.010));
CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::USER_PUNCH(n, "Ca", max));
CPPUNIT_ASSERT_EQUAL(0, ::GetOutputOn(n));
CPPUNIT_ASSERT_EQUAL(0, ::GetErrorOn(n));
CPPUNIT_ASSERT_EQUAL(0, ::GetLogOn(n));
CPPUNIT_ASSERT_EQUAL(0, ::GetSelectedOutputOn(n));
CPPUNIT_ASSERT_EQUAL(0, ::GetDumpOn(n));
CPPUNIT_ASSERT_EQUAL(0, ::GetDumpStringOn(n));
CPPUNIT_ASSERT_EQUAL(0, ::RunAccumulated(n));
CPPUNIT_ASSERT_EQUAL(3, ::GetSelectedOutputRowCount(n)); // rows + header
if (n >= 0)
{
CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::DestroyIPhreeqc(n));
}
}
#define USE_VAR
void TestIPhreeqcLib::TestGetSelectedOutputValue(void)
{
int n = ::CreateIPhreeqc();
CPPUNIT_ASSERT(n >= 0);
CPPUNIT_ASSERT_EQUAL(0, ::LoadDatabase(n, "llnl.dat"));
int max = 6;
CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::SOLUTION(n, 1.0, 1.0, 1.0));
CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::EQUILIBRIUM_PHASES(n, "calcite", 0.0, 0.010));
CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::USER_PUNCH(n, "Ca", max));
CPPUNIT_ASSERT_EQUAL(0, ::GetOutputOn(n));
CPPUNIT_ASSERT_EQUAL(0, ::GetErrorOn(n));
CPPUNIT_ASSERT_EQUAL(0, ::GetLogOn(n));
CPPUNIT_ASSERT_EQUAL(0, ::GetSelectedOutputOn(n));
CPPUNIT_ASSERT_EQUAL(0, ::GetDumpOn(n));
CPPUNIT_ASSERT_EQUAL(0, ::GetDumpStringOn(n));
CPPUNIT_ASSERT_EQUAL(0, ::RunAccumulated(n));
/*
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 defined(USE_VAR)
VAR v;
::VarInit(&v);
#else
CVar v;
#endif
CPPUNIT_ASSERT_EQUAL(IPQ_INVALIDROW, ::GetSelectedOutputValue(n, -1, 0, &v));
CPPUNIT_ASSERT_EQUAL(TT_ERROR, v.type);
CPPUNIT_ASSERT_EQUAL(VR_INVALIDROW, v.vresult);
CPPUNIT_ASSERT_EQUAL(IPQ_INVALIDROW, ::GetSelectedOutputValue(n, ::GetSelectedOutputRowCount(n), 0, &v));
CPPUNIT_ASSERT_EQUAL(TT_ERROR, v.type);
CPPUNIT_ASSERT_EQUAL(VR_INVALIDROW, v.vresult);
CPPUNIT_ASSERT_EQUAL(IPQ_INVALIDCOL, ::GetSelectedOutputValue(n, 0, -1, &v));
CPPUNIT_ASSERT_EQUAL(TT_ERROR, v.type);
CPPUNIT_ASSERT_EQUAL(VR_INVALIDCOL, v.vresult);
CPPUNIT_ASSERT_EQUAL(IPQ_INVALIDCOL, ::GetSelectedOutputValue(n, 0, ::GetSelectedOutputColumnCount(n), &v));
CPPUNIT_ASSERT_EQUAL(TT_ERROR, v.type);
CPPUNIT_ASSERT_EQUAL(VR_INVALIDCOL, v.vresult);
CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::GetSelectedOutputValue(n, 0, 0, &v));
CPPUNIT_ASSERT_EQUAL(TT_STRING, v.type);
CPPUNIT_ASSERT_EQUAL( std::string("sim"), std::string(v.sVal));
CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::GetSelectedOutputValue(n, 0, 1, &v));
CPPUNIT_ASSERT_EQUAL(TT_STRING, v.type);
CPPUNIT_ASSERT_EQUAL( std::string("state"), std::string(v.sVal));
CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::GetSelectedOutputValue(n, 0, 2, &v));
CPPUNIT_ASSERT_EQUAL(TT_STRING, v.type);
CPPUNIT_ASSERT_EQUAL( std::string("soln"), std::string(v.sVal));
//{{{{{{
CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::GetSelectedOutputValue(n, 0, 3, &v));
CPPUNIT_ASSERT_EQUAL(TT_STRING, v.type);
CPPUNIT_ASSERT_EQUAL( std::string("dist_x"), std::string(v.sVal));
CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::GetSelectedOutputValue(n, 0, 4, &v));
CPPUNIT_ASSERT_EQUAL(TT_STRING, v.type);
CPPUNIT_ASSERT_EQUAL( std::string("time"), std::string(v.sVal));
CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::GetSelectedOutputValue(n, 0, 5, &v));
CPPUNIT_ASSERT_EQUAL(TT_STRING, v.type);
CPPUNIT_ASSERT_EQUAL( std::string("step"), std::string(v.sVal));
CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::GetSelectedOutputValue(n, 0, 6, &v));
CPPUNIT_ASSERT_EQUAL(TT_STRING, v.type);
CPPUNIT_ASSERT_EQUAL( std::string("pH"), std::string(v.sVal));
CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::GetSelectedOutputValue(n, 0, 7, &v));
CPPUNIT_ASSERT_EQUAL(TT_STRING, v.type);
CPPUNIT_ASSERT_EQUAL( std::string("pe"), std::string(v.sVal));
int col = 7;
// -totals C Ca Na
++col;
CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::GetSelectedOutputValue(n, 0, col, &v));
CPPUNIT_ASSERT_EQUAL(TT_STRING, v.type);
CPPUNIT_ASSERT_EQUAL( std::string("C(mol/kgw)"), std::string(v.sVal));
++col;
CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::GetSelectedOutputValue(n, 0, col, &v));
CPPUNIT_ASSERT_EQUAL(TT_STRING, v.type);
CPPUNIT_ASSERT_EQUAL( std::string("Ca(mol/kgw)"), std::string(v.sVal));
++col;
CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::GetSelectedOutputValue(n, 0, col, &v));
CPPUNIT_ASSERT_EQUAL(TT_STRING, v.type);
CPPUNIT_ASSERT_EQUAL( std::string("Na(mol/kgw)"), std::string(v.sVal));
// -molalities CO3-2 CaOH+ NaCO3-
++col;
CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::GetSelectedOutputValue(n, 0, col, &v));
CPPUNIT_ASSERT_EQUAL(TT_STRING, v.type);
CPPUNIT_ASSERT_EQUAL( std::string("m_CO3-2(mol/kgw)"), std::string(v.sVal));
++col;
CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::GetSelectedOutputValue(n, 0, col, &v));
CPPUNIT_ASSERT_EQUAL(TT_STRING, v.type);
CPPUNIT_ASSERT_EQUAL( std::string("m_CaOH+(mol/kgw)"), std::string(v.sVal));
++col;
CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::GetSelectedOutputValue(n, 0, col, &v));
CPPUNIT_ASSERT_EQUAL(TT_STRING, v.type);
CPPUNIT_ASSERT_EQUAL( std::string("m_NaCO3-(mol/kgw)"), std::string(v.sVal));
// -activities CO3-2 CaOH+ NaCO3-
++col;
CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::GetSelectedOutputValue(n, 0, col, &v));
CPPUNIT_ASSERT_EQUAL(TT_STRING, v.type);
CPPUNIT_ASSERT_EQUAL( std::string("la_CO3-2"), std::string(v.sVal));
++col;
CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::GetSelectedOutputValue(n, 0, col, &v));
CPPUNIT_ASSERT_EQUAL(TT_STRING, v.type);
CPPUNIT_ASSERT_EQUAL( std::string("la_CaOH+"), std::string(v.sVal));
++col;
CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::GetSelectedOutputValue(n, 0, col, &v));
CPPUNIT_ASSERT_EQUAL(TT_STRING, v.type);
CPPUNIT_ASSERT_EQUAL( std::string("la_NaCO3-"), std::string(v.sVal));
// -equilibrium_phases Calcite
++col;
CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::GetSelectedOutputValue(n, 0, col, &v));
CPPUNIT_ASSERT_EQUAL(TT_STRING, v.type);
CPPUNIT_ASSERT_EQUAL( std::string("Calcite"), std::string(v.sVal));
++col;
CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::GetSelectedOutputValue(n, 0, col, &v));
CPPUNIT_ASSERT_EQUAL(TT_STRING, v.type);
CPPUNIT_ASSERT_EQUAL( std::string("d_Calcite"), std::string(v.sVal));
// -saturation_indices CO2(g) Siderite
++col;
CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::GetSelectedOutputValue(n, 0, col, &v));
CPPUNIT_ASSERT_EQUAL(TT_STRING, v.type);
CPPUNIT_ASSERT_EQUAL( std::string("si_CO2(g)"), std::string(v.sVal));
++col;
CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::GetSelectedOutputValue(n, 0, col, &v));
CPPUNIT_ASSERT_EQUAL(TT_STRING, v.type);
CPPUNIT_ASSERT_EQUAL( std::string("si_Siderite"), std::string(v.sVal));
// -gases CO2(g) N2(g)
// pressure "total mol" volume g_CO2(g) g_N2(g)
++col;
CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::GetSelectedOutputValue(n, 0, col, &v));
CPPUNIT_ASSERT_EQUAL(TT_STRING, v.type);
CPPUNIT_ASSERT_EQUAL( std::string("pressure"), std::string(v.sVal));
++col;
CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::GetSelectedOutputValue(n, 0, col, &v));
CPPUNIT_ASSERT_EQUAL(TT_STRING, v.type);
CPPUNIT_ASSERT_EQUAL( std::string("total mol"), std::string(v.sVal));
++col;
CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::GetSelectedOutputValue(n, 0, col, &v));
CPPUNIT_ASSERT_EQUAL(TT_STRING, v.type);
CPPUNIT_ASSERT_EQUAL( std::string("volume"), std::string(v.sVal));
++col;
CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::GetSelectedOutputValue(n, 0, col, &v));
CPPUNIT_ASSERT_EQUAL(TT_STRING, v.type);
CPPUNIT_ASSERT_EQUAL( std::string("g_CO2(g)"), std::string(v.sVal));
++col;
CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::GetSelectedOutputValue(n, 0, col, &v));
CPPUNIT_ASSERT_EQUAL(TT_STRING, v.type);
CPPUNIT_ASSERT_EQUAL( std::string("g_N2(g)"), std::string(v.sVal));
// -kinetic_reactants Albite Pyrite
// k_Albite dk_Albite k_Pyrite dk_Pyrite
++col;
CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::GetSelectedOutputValue(n, 0, col, &v));
CPPUNIT_ASSERT_EQUAL(TT_STRING, v.type);
CPPUNIT_ASSERT_EQUAL( std::string("k_Albite"), std::string(v.sVal));
++col;
CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::GetSelectedOutputValue(n, 0, col, &v));
CPPUNIT_ASSERT_EQUAL(TT_STRING, v.type);
CPPUNIT_ASSERT_EQUAL( std::string("dk_Albite"), std::string(v.sVal));
++col;
CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::GetSelectedOutputValue(n, 0, col, &v));
CPPUNIT_ASSERT_EQUAL(TT_STRING, v.type);
CPPUNIT_ASSERT_EQUAL( std::string("k_Pyrite"), std::string(v.sVal));
++col;
CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::GetSelectedOutputValue(n, 0, col, &v));
CPPUNIT_ASSERT_EQUAL(TT_STRING, v.type);
CPPUNIT_ASSERT_EQUAL( std::string("dk_Pyrite"), std::string(v.sVal));
// -solid_solutions CaSO4 SrSO4
// s_CaSO4 s_SrSO4
++col;
CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::GetSelectedOutputValue(n, 0, col, &v));
CPPUNIT_ASSERT_EQUAL(TT_STRING, v.type);
CPPUNIT_ASSERT_EQUAL( std::string("s_CaSO4"), std::string(v.sVal));
++col;
CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::GetSelectedOutputValue(n, 0, col, &v));
CPPUNIT_ASSERT_EQUAL(TT_STRING, v.type);
CPPUNIT_ASSERT_EQUAL( std::string("s_SrSO4"), std::string(v.sVal));
for (int i = 0; i < max; ++i)
{
std::ostringstream oss1, oss2, oss3;
// 1.name
//
CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::GetSelectedOutputValue(n, 0, col + 1 + (i*3), &v));
CPPUNIT_ASSERT_EQUAL(TT_STRING, v.type);
oss1 << i + 1 << ".name";
CPPUNIT_ASSERT_EQUAL( oss1.str(), std::string(v.sVal));
// 1.type
//
CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::GetSelectedOutputValue(n, 0, col + 2 + (i*3), &v));
CPPUNIT_ASSERT_EQUAL(TT_STRING, v.type);
oss2 << i + 1 << ".type";
CPPUNIT_ASSERT_EQUAL( oss2.str(), std::string(v.sVal));
// 1.moles
//
CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::GetSelectedOutputValue(n, 0, col + 3 + (i*3), &v));
CPPUNIT_ASSERT_EQUAL(TT_STRING, v.type);
oss3 << i + 1 << ".moles";
CPPUNIT_ASSERT_EQUAL( oss3.str(), std::string(v.sVal));
}
// sim
//
col = 0;
// i_soln
CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::GetSelectedOutputValue(n, 1, col, &v));
CPPUNIT_ASSERT_EQUAL(TT_LONG, v.type);
CPPUNIT_ASSERT_EQUAL( 1L, v.lVal );
// react
CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::GetSelectedOutputValue(n, 2, col, &v));
CPPUNIT_ASSERT_EQUAL(TT_LONG, v.type);
CPPUNIT_ASSERT_EQUAL( 1L, v.lVal );
// state
//
++col;
// i_soln
CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::GetSelectedOutputValue(n, 1, col, &v));
CPPUNIT_ASSERT_EQUAL(TT_STRING, v.type);
CPPUNIT_ASSERT_EQUAL( std::string("i_soln"), std::string(v.sVal) );
// react
CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::GetSelectedOutputValue(n, 2, col, &v));
CPPUNIT_ASSERT_EQUAL(TT_STRING, v.type);
CPPUNIT_ASSERT_EQUAL( std::string("react"), std::string(v.sVal) );
// soln
//
++col;
// i_soln
CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::GetSelectedOutputValue(n, 1, col, &v));
CPPUNIT_ASSERT_EQUAL(TT_LONG, v.type);
CPPUNIT_ASSERT_EQUAL( 1L, v.lVal );
// react
CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::GetSelectedOutputValue(n, 2, col, &v));
CPPUNIT_ASSERT_EQUAL(TT_LONG, v.type);
CPPUNIT_ASSERT_EQUAL( 1L, v.lVal );
// dist_x -- sometimes as double sometimes as long (depends on state)
//
++col;
// i_soln
CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::GetSelectedOutputValue(n, 1, col, &v));
CPPUNIT_ASSERT_EQUAL(TT_LONG, v.type);
CPPUNIT_ASSERT_EQUAL( -99L, v.lVal );
// react
CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::GetSelectedOutputValue(n, 2, col, &v));
CPPUNIT_ASSERT_EQUAL(TT_LONG, v.type);
CPPUNIT_ASSERT_EQUAL( -99L, v.lVal );
// time -- sometimes as double sometimes as long (depends on state)
//
++col;
// i_soln
CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::GetSelectedOutputValue(n, 1, col, &v));
CPPUNIT_ASSERT_EQUAL(TT_LONG, v.type);
CPPUNIT_ASSERT_EQUAL( -99L, v.lVal );
// react
CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::GetSelectedOutputValue(n, 2, col, &v));
CPPUNIT_ASSERT_EQUAL(TT_DOUBLE, v.type);
CPPUNIT_ASSERT_DOUBLES_EQUAL( 0.0, v.dVal, ::pow(10., -DBL_DIG) );
// step
//
++col;
// i_soln
CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::GetSelectedOutputValue(n, 1, col, &v));
CPPUNIT_ASSERT_EQUAL(TT_LONG, v.type);
CPPUNIT_ASSERT_EQUAL(-99L, v.lVal);
// react
CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::GetSelectedOutputValue(n, 2, col, &v));
CPPUNIT_ASSERT_EQUAL(TT_LONG, v.type);
CPPUNIT_ASSERT_EQUAL(1L, v.lVal);
// pH
//
++col;
// i_soln
CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::GetSelectedOutputValue(n, 1, col, &v));
CPPUNIT_ASSERT_EQUAL(TT_DOUBLE, v.type);
CPPUNIT_ASSERT_DOUBLES_EQUAL( 7.0, v.dVal, ::pow(10., -DBL_DIG) );
// react
CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::GetSelectedOutputValue(n, 2, col, &v));
CPPUNIT_ASSERT_EQUAL(TT_DOUBLE, v.type);
CPPUNIT_ASSERT_DOUBLES_EQUAL( 7.861354, v.dVal, ::pow(10., -6) );
// pe
//
++col;
// i_soln
CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::GetSelectedOutputValue(n, 1, col, &v));
CPPUNIT_ASSERT_EQUAL(TT_DOUBLE, v.type);
CPPUNIT_ASSERT_DOUBLES_EQUAL( 4.0, v.dVal, ::pow(10., -DBL_DIG) );
// react
CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::GetSelectedOutputValue(n, 2, col, &v));
CPPUNIT_ASSERT_EQUAL(TT_DOUBLE, v.type);
CPPUNIT_ASSERT_DOUBLES_EQUAL( 10.4, v.dVal, ::pow(10., -1) );
//
// -totals C Ca Na
//
// C(mol/kgw)
//
++col;
// i_soln
CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::GetSelectedOutputValue(n, 1, col, &v));
CPPUNIT_ASSERT_EQUAL(TT_DOUBLE, v.type);
CPPUNIT_ASSERT_DOUBLES_EQUAL( 1.0000e-003, v.dVal, ::pow(10., -DBL_DIG) );
// react
CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::GetSelectedOutputValue(n, 2, col, &v));
CPPUNIT_ASSERT_EQUAL(TT_DOUBLE, v.type);
CPPUNIT_ASSERT_DOUBLES_EQUAL( 1.1556e-003, v.dVal, ::pow(10., -7) );
// Ca(mol/kgw)
//
++col;
// i_soln
CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::GetSelectedOutputValue(n, 1, col, &v));
CPPUNIT_ASSERT_EQUAL(TT_DOUBLE, v.type);
CPPUNIT_ASSERT_DOUBLES_EQUAL( 1.0000e-003, v.dVal, ::pow(10., -DBL_DIG) );
// react
CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::GetSelectedOutputValue(n, 2, col, &v));
CPPUNIT_ASSERT_EQUAL(TT_DOUBLE, v.type);
CPPUNIT_ASSERT_DOUBLES_EQUAL( 1.1556e-003, v.dVal, ::pow(10., -7) );
// Na(mol/kgw)
//
++col;
// i_soln
CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::GetSelectedOutputValue(n, 1, col, &v));
CPPUNIT_ASSERT_EQUAL(TT_DOUBLE, v.type);
CPPUNIT_ASSERT_DOUBLES_EQUAL( 1.0000e-003, v.dVal, ::pow(10., -DBL_DIG) );
// react
CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::GetSelectedOutputValue(n, 2, col, &v));
CPPUNIT_ASSERT_EQUAL(TT_DOUBLE, v.type);
CPPUNIT_ASSERT_DOUBLES_EQUAL( 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
CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::GetSelectedOutputValue(n, 1, col, &v));
CPPUNIT_ASSERT_EQUAL(TT_STRING, v.type);
CPPUNIT_ASSERT_EQUAL( std::string("Ca+2"), std::string(v.sVal));
// react
CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::GetSelectedOutputValue(n, 2, col, &v));
CPPUNIT_ASSERT_EQUAL(TT_STRING, v.type);
CPPUNIT_ASSERT_EQUAL( std::string("calcite"), std::string(v.sVal));
// 1.type
//
++col;
// i_soln
CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::GetSelectedOutputValue(n, 1, col, &v));
CPPUNIT_ASSERT_EQUAL(TT_STRING, v.type);
CPPUNIT_ASSERT_EQUAL( std::string("aq"), std::string(v.sVal));
// react
CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::GetSelectedOutputValue(n, 2, col, &v));
CPPUNIT_ASSERT_EQUAL(TT_STRING, v.type);
CPPUNIT_ASSERT_EQUAL( std::string("equi"), std::string(v.sVal));
// 1.moles
//
++col;
// i_soln
CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::GetSelectedOutputValue(n, 1, col, &v));
CPPUNIT_ASSERT_EQUAL(TT_DOUBLE, v.type);
CPPUNIT_ASSERT_DOUBLES_EQUAL( 9.9177923E-04, v.dVal, ::pow(10., -11) );
// react
CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::GetSelectedOutputValue(n, 2, col, &v));
CPPUNIT_ASSERT_EQUAL(TT_DOUBLE, v.type);
CPPUNIT_ASSERT_DOUBLES_EQUAL( 9.8444477E-03, v.dVal, ::pow(10., -10) );
// 2.name
//
++col;
// i_soln
CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::GetSelectedOutputValue(n, 1, col, &v));
CPPUNIT_ASSERT_EQUAL( TT_STRING, v.type );
CPPUNIT_ASSERT_EQUAL( std::string("CaHCO3+"), std::string(v.sVal));
// react
CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::GetSelectedOutputValue(n, 2, col, &v));
CPPUNIT_ASSERT_EQUAL( TT_STRING, v.type );
CPPUNIT_ASSERT_EQUAL( std::string("Ca+2"), std::string(v.sVal));
// 2.type
//
++col;
// i_soln
CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::GetSelectedOutputValue(n, 1, col, &v));
CPPUNIT_ASSERT_EQUAL( TT_STRING, v.type );
CPPUNIT_ASSERT_EQUAL( std::string("aq"), std::string(v.sVal));
// react
CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::GetSelectedOutputValue(n, 2, col, &v));
CPPUNIT_ASSERT_EQUAL( TT_STRING, v.type );
CPPUNIT_ASSERT_EQUAL( std::string("aq"), std::string(v.sVal));
// 2.moles
//
++col;
// i_soln
CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::GetSelectedOutputValue(n, 1, col, &v));
CPPUNIT_ASSERT_EQUAL(TT_DOUBLE, v.type);
CPPUNIT_ASSERT_DOUBLES_EQUAL( 7.5980e-006, v.dVal, ::pow(10., -10) );
// react
CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::GetSelectedOutputValue(n, 2, col, &v));
CPPUNIT_ASSERT_EQUAL(TT_DOUBLE, v.type);
CPPUNIT_ASSERT_DOUBLES_EQUAL( 1.1371e-003, v.dVal, ::pow(10., -7) );
// 3.name
//
++col;
// i_soln
CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::GetSelectedOutputValue(n, 1, col, &v));
CPPUNIT_ASSERT_EQUAL( TT_STRING, v.type );
CPPUNIT_ASSERT_EQUAL( std::string("CaCO3"), std::string(v.sVal));
// react
CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::GetSelectedOutputValue(n, 2, col, &v));
CPPUNIT_ASSERT_EQUAL( TT_STRING, v.type );
CPPUNIT_ASSERT_EQUAL( std::string("CaHCO3+"), std::string(v.sVal));
// 3.type
//
++col;
// i_soln
CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::GetSelectedOutputValue(n, 1, col, &v));
CPPUNIT_ASSERT_EQUAL( TT_STRING, v.type );
CPPUNIT_ASSERT_EQUAL( std::string("aq"), std::string(v.sVal));
// react
CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::GetSelectedOutputValue(n, 2, col, &v));
CPPUNIT_ASSERT_EQUAL( TT_STRING, v.type );
CPPUNIT_ASSERT_EQUAL( std::string("aq"), std::string(v.sVal));
// 3.moles
//
++col;
// i_soln
CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::GetSelectedOutputValue(n, 1, col, &v));
CPPUNIT_ASSERT_EQUAL(TT_DOUBLE, v.type);
CPPUNIT_ASSERT_DOUBLES_EQUAL( 6.2155e-007, v.dVal, ::pow(10., -11) );
// react
CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::GetSelectedOutputValue(n, 2, col, &v));
CPPUNIT_ASSERT_EQUAL(TT_DOUBLE, v.type);
CPPUNIT_ASSERT_DOUBLES_EQUAL( 1.1598e-005, v.dVal, ::pow(10., -9) );
// 4.name
//
++col;
// i_soln
CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::GetSelectedOutputValue(n, 1, col, &v));
CPPUNIT_ASSERT_EQUAL( TT_STRING, v.type );
CPPUNIT_ASSERT_EQUAL( std::string("CaOH+"), std::string(v.sVal));
// react
CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::GetSelectedOutputValue(n, 2, col, &v));
CPPUNIT_ASSERT_EQUAL( TT_STRING, v.type );
CPPUNIT_ASSERT_EQUAL( std::string("CaCO3"), std::string(v.sVal));
// 4.type
//
++col;
// i_soln
CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::GetSelectedOutputValue(n, 1, col, &v));
CPPUNIT_ASSERT_EQUAL( TT_STRING, v.type );
CPPUNIT_ASSERT_EQUAL( std::string("aq"), std::string(v.sVal));
// react
CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::GetSelectedOutputValue(n, 2, col, &v));
CPPUNIT_ASSERT_EQUAL( TT_STRING, v.type );
CPPUNIT_ASSERT_EQUAL( std::string("aq"), std::string(v.sVal));
// 4.moles
//
++col;
// i_soln
CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::GetSelectedOutputValue(n, 1, col, &v));
CPPUNIT_ASSERT_EQUAL(TT_DOUBLE, v.type);
CPPUNIT_ASSERT_DOUBLES_EQUAL( 1.1819e-009, v.dVal, ::pow(10., -13) );
// react
CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::GetSelectedOutputValue(n, 2, col, &v));
CPPUNIT_ASSERT_EQUAL(TT_DOUBLE, v.type);
CPPUNIT_ASSERT_DOUBLES_EQUAL( 6.8668e-006, v.dVal, ::pow(10., -10) );
// 5.name
//
++col;
// i_soln
CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::GetSelectedOutputValue(n, 1, col, &v));
CPPUNIT_ASSERT_EQUAL( TT_EMPTY, v.type );
// react
CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::GetSelectedOutputValue(n, 2, col, &v));
CPPUNIT_ASSERT_EQUAL(TT_STRING, v.type);
CPPUNIT_ASSERT_EQUAL( std::string("CaOH+"), std::string(v.sVal));
// 5.type
//
++col;
// i_soln
CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::GetSelectedOutputValue(n, 1, col, &v));
CPPUNIT_ASSERT_EQUAL( TT_EMPTY, v.type );
// react
CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::GetSelectedOutputValue(n, 2, col, &v));
CPPUNIT_ASSERT_EQUAL(TT_STRING, v.type);
CPPUNIT_ASSERT_EQUAL( std::string("aq"), std::string(v.sVal));
// 5.moles
//
++col;
// i_soln
CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::GetSelectedOutputValue(n, 1, col, &v));
CPPUNIT_ASSERT_EQUAL( TT_EMPTY, v.type );
// react
CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::GetSelectedOutputValue(n, 2, col, &v));
CPPUNIT_ASSERT_EQUAL( TT_DOUBLE, v.type );
CPPUNIT_ASSERT_DOUBLES_EQUAL( 9.7385e-009, v.dVal, ::pow(10., -13) );
// 6.name
//
++col;
// i_soln
CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::GetSelectedOutputValue(n, 1, col, &v));
CPPUNIT_ASSERT_EQUAL( TT_EMPTY, v.type );
// react
CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::GetSelectedOutputValue(n, 2, col, &v));
CPPUNIT_ASSERT_EQUAL( TT_EMPTY, v.type );
// 6.type
//
++col;
// i_soln
CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::GetSelectedOutputValue(n, 1, col, &v));
CPPUNIT_ASSERT_EQUAL( TT_EMPTY, v.type );
// react
CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::GetSelectedOutputValue(n, 2, col, &v));
CPPUNIT_ASSERT_EQUAL( TT_EMPTY, v.type );
// 6.moles
//
++col;
// i_soln
CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::GetSelectedOutputValue(n, 1, col, &v));
CPPUNIT_ASSERT_EQUAL( TT_EMPTY, v.type );
// react
CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::GetSelectedOutputValue(n, 2, col, &v));
CPPUNIT_ASSERT_EQUAL( TT_EMPTY, v.type );
if (n >= 0)
{
CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::DestroyIPhreeqc(n));
}
#if defined(USE_VAR)
::VarClear(&v);
#endif
}
IPQ_RESULT
SOLUTION(int n, 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 ::AccumulateLine(n, oss.str().c_str());
}
IPQ_RESULT
EQUILIBRIUM_PHASES(int n, const char* phase, double si, double amount)
{
std::ostringstream oss;
oss << "EQUILIBRIUM_PHASES\n";
oss << phase << " " << si << " " << amount << "\n";
return ::AccumulateLine(n, oss.str().c_str());
}
IPQ_RESULT
USER_PUNCH(int n, 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 count" << "\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 ::AccumulateLine(n, oss.str().c_str());
}
IPQ_RESULT
SELECTED_OUTPUT(int n)
{
std::ostringstream oss;
oss << "SELECTED_OUTPUT" << "\n";
oss << "-file selected.out" << "\n";
oss << "-totals C Ca Na" << "\n";
return ::AccumulateLine(n, oss.str().c_str());
}
IPQ_RESULT
DUMP(int n)
{
std::ostringstream oss;
oss << "DUMP" << "\n";
oss << "-solution 1" << "\n";
return ::AccumulateLine(n, oss.str().c_str());
}
void TestIPhreeqcLib::TestGetSelectedOutputColumnCount(void)
{
int n = ::CreateIPhreeqc();
CPPUNIT_ASSERT(n >= 0);
CPPUNIT_ASSERT_EQUAL( 0, ::LoadDatabase(n, "llnl.dat"));
CPPUNIT_ASSERT_EQUAL( 0, ::GetSelectedOutputColumnCount(n) );
CPPUNIT_ASSERT_EQUAL( IPQ_OK, ::SOLUTION(n, 1.0, 1.0, 1.0) );
CPPUNIT_ASSERT_EQUAL( IPQ_OK, ::EQUILIBRIUM_PHASES(n, "calcite", 1.0, 1.0) );
CPPUNIT_ASSERT_EQUAL( IPQ_OK, ::USER_PUNCH(n, "Ca", 10) );
CPPUNIT_ASSERT_EQUAL( 0, ::RunAccumulated(n) );
CPPUNIT_ASSERT_EQUAL( 62, ::GetSelectedOutputColumnCount(n) );
if (n >= 0)
{
CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::DestroyIPhreeqc(n));
}
}
void TestIPhreeqcLib::TestAddError(void)
{
int n = ::CreateIPhreeqc();
CPPUNIT_ASSERT(n >= 0);
CPPUNIT_ASSERT_EQUAL(0, ::LoadDatabase(n, "phreeqc.dat"));
// make sure initialized to empty
//
const char* err = ::GetErrorString(n);
CPPUNIT_ASSERT_EQUAL( std::string(""), std::string(err) );
// make sure initialized to empty
//
const char *expected = "TESTING AddError\n";
CPPUNIT_ASSERT_EQUAL(1, ::AddError(n, expected));
// check 1
//
err = ::GetErrorString(n);
CPPUNIT_ASSERT_EQUAL( std::string(expected), std::string(err) );
// check increment
//
const char *expected2 = "XXXXXX\n";
CPPUNIT_ASSERT_EQUAL(2, ::AddError(n, expected2));
// check concatenation
//
err = ::GetErrorString(n);
CPPUNIT_ASSERT_EQUAL( std::string(expected) + std::string(expected2), std::string(err) );
// clear errors
//
CPPUNIT_ASSERT_EQUAL(0, ::LoadDatabase(n, "phreeqc.dat"));
// make sure back to empty
//
err = ::GetErrorString(n);
CPPUNIT_ASSERT_EQUAL( std::string(""), std::string(err) );
if (n >= 0)
{
CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::DestroyIPhreeqc(n));
}
}
void TestIPhreeqcLib::TestAccumulateLine(void)
{
// TODO
}
void TestIPhreeqcLib::TestOutputError(void)
{
// TODO
}
void TestIPhreeqcLib::TestRunWithCallback(void)
{
// TODO
}
void TestIPhreeqcLib::TestRunNoDatabaseLoaded(void)
{
int n = ::CreateIPhreeqc();
CPPUNIT_ASSERT(n >= 0);
::UnLoadDatabase(n);
CPPUNIT_ASSERT_EQUAL( 1, ::RunAccumulated(n) );
const char expected[] =
"ERROR: RunAccumulated: No database is loaded\n";
const char* err = ::GetErrorString(n);
CPPUNIT_ASSERT_EQUAL( std::string(expected), std::string(err) );
if (n >= 0)
{
CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::DestroyIPhreeqc(n));
}
}
void TestIPhreeqcLib::TestCase1(void)
{
// Case 1 (see do_run)
// pr.punch == TRUE
// punch.new_def == FALSE
// output_isopen(OUTPUT_PUNCH) == FALSE
// selected_output_on == TRUE
int n = ::CreateIPhreeqc();
CPPUNIT_ASSERT(n >= 0);
// remove punch file if it exists
if (::FileExists("selected.out"))
{
CPPUNIT_ASSERT(::DeleteFile("selected.out"));
}
CPPUNIT_ASSERT_EQUAL( false, ::FileExists("selected.out") );
CPPUNIT_ASSERT_EQUAL( true, ::FileExists("phreeqc.dat") );
CPPUNIT_ASSERT_EQUAL( 0, ::LoadDatabase(n, "phreeqc.dat") );
CPPUNIT_ASSERT_EQUAL( IPQ_OK, ::SOLUTION(n, 1.0, 1.0, 1.0) );
CPPUNIT_ASSERT_EQUAL( IPQ_OK, ::USER_PUNCH(n, "Ca", 10) );
CPPUNIT_ASSERT_EQUAL( IPQ_OK, ::SetSelectedOutputOn(n, 1) );
CPPUNIT_ASSERT_EQUAL( 0, ::RunAccumulated(n) );
CPPUNIT_ASSERT_EQUAL( true, ::FileExists("selected.out") );
CPPUNIT_ASSERT_EQUAL( 62, ::GetSelectedOutputColumnCount(n) );
CPPUNIT_ASSERT_EQUAL( IPQ_OK, ::SOLUTION(n, 1.0, 1.0, 1.0) );
CPPUNIT_ASSERT_EQUAL( IPQ_OK, ::SetSelectedOutputOn(n, 1) );
CPPUNIT_ASSERT_EQUAL( 0, ::RunAccumulated(n) );
CPPUNIT_ASSERT_EQUAL( true, ::FileExists("selected.out") );
CPPUNIT_ASSERT_EQUAL( 62, ::GetSelectedOutputColumnCount(n) );
if (n >= 0)
{
CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::DestroyIPhreeqc(n));
}
}
void TestIPhreeqcLib::TestCase2(void)
{
// Case 2 (see do_run)
// pr.punch == TRUE
// punch.new_def == TRUE
// output_isopen(OUTPUT_PUNCH) == FALSE
// selected_output_on == TRUE
int n = ::CreateIPhreeqc();
CPPUNIT_ASSERT(n >= 0);
// remove punch files if they exists
//
if (::FileExists("selected.out"))
{
::DeleteFile("selected.out");
}
if (::FileExists("case2.punch"))
{
::DeleteFile("case2.punch");
}
CPPUNIT_ASSERT_EQUAL( false, ::FileExists("selected.out") );
CPPUNIT_ASSERT_EQUAL( false, ::FileExists("case2.punch") );
CPPUNIT_ASSERT_EQUAL( 0, ::LoadDatabase(n, "phreeqc.dat") );
CPPUNIT_ASSERT_EQUAL( IPQ_OK, ::SOLUTION(n, 1.0, 1.0, 1.0) );
CPPUNIT_ASSERT_EQUAL( IPQ_OK, ::USER_PUNCH(n, "Ca", 10) );
CPPUNIT_ASSERT_EQUAL( IPQ_OK, ::AccumulateLine(n, "-file case2.punch") ); // force have_punch_name to TRUE (see read_selected_ouput)
CPPUNIT_ASSERT_EQUAL( IPQ_OK, ::SetSelectedOutputOn(n, 1) );
CPPUNIT_ASSERT_EQUAL( 0, ::RunAccumulated(n) );
CPPUNIT_ASSERT_EQUAL( false, ::FileExists("selected.out") );
CPPUNIT_ASSERT_EQUAL( true, ::FileExists("case2.punch") );
CPPUNIT_ASSERT_EQUAL( 62, ::GetSelectedOutputColumnCount(n) );
// remove punch files if they exists
//
if (::FileExists("selected.out"))
{
::DeleteFile("selected.out");
}
if (::FileExists("case2.punch"))
{
::DeleteFile("case2.punch");
}
CPPUNIT_ASSERT_EQUAL( false, ::FileExists("selected.out") );
CPPUNIT_ASSERT_EQUAL( false, ::FileExists("case2.punch") );
CPPUNIT_ASSERT_EQUAL( IPQ_OK, ::SOLUTION(n, 1.0, 1.0, 1.0) );
CPPUNIT_ASSERT_EQUAL( IPQ_OK, ::USER_PUNCH(n, "Ca", 10) );
CPPUNIT_ASSERT_EQUAL( IPQ_OK, ::SetSelectedOutputOn(n, 1) );
CPPUNIT_ASSERT_EQUAL( 0, ::RunAccumulated(n) );
CPPUNIT_ASSERT_EQUAL( false, ::FileExists("selected.out") );
CPPUNIT_ASSERT_EQUAL( true, ::FileExists("case2.punch") );
CPPUNIT_ASSERT_EQUAL( 62, ::GetSelectedOutputColumnCount(n) );
if (::FileExists("case2.punch"))
{
::DeleteFile("case2.punch");
}
CPPUNIT_ASSERT_EQUAL( false, ::FileExists("case2.punch") );
if (n >= 0)
{
CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::DestroyIPhreeqc(n));
}
}
void TestIPhreeqcLib::TestPrintSelectedOutputFalse(void)
{
int n = ::CreateIPhreeqc();
CPPUNIT_ASSERT(n >= 0);
// remove punch files if they exists
//
if (::FileExists("selected.out"))
{
::DeleteFile("selected.out");
}
CPPUNIT_ASSERT_EQUAL( false, ::FileExists("selected.out") );
CPPUNIT_ASSERT_EQUAL( 0, ::LoadDatabase(n, "phreeqc.dat") );
// add solution block
CPPUNIT_ASSERT_EQUAL( IPQ_OK, ::SOLUTION(n, 1.0, 1.0, 1.0) );
// add selected output block
CPPUNIT_ASSERT_EQUAL( IPQ_OK, ::SELECTED_OUTPUT(n) );
// turn off selected output
CPPUNIT_ASSERT_EQUAL( IPQ_OK, ::AccumulateLine(n, "PRINT; -selected_output false \n") );
// run
CPPUNIT_ASSERT_EQUAL( IPQ_OK, ::SetSelectedOutputOn(n, 1) );
CPPUNIT_ASSERT_EQUAL( 0, ::RunAccumulated(n) );
CPPUNIT_ASSERT_EQUAL( 0, ::GetSelectedOutputColumnCount(n) );
CPPUNIT_ASSERT_EQUAL( 0, ::GetSelectedOutputRowCount(n) );
// reset pr.punch to TRUE
CPPUNIT_ASSERT_EQUAL( 0, ::LoadDatabase(n, "phreeqc.dat") );
// add solution block
CPPUNIT_ASSERT_EQUAL( IPQ_OK, ::SOLUTION(n, 1.0, 1.0, 1.0) );
// add selected output block
CPPUNIT_ASSERT_EQUAL( IPQ_OK, ::SELECTED_OUTPUT(n) );
// run
CPPUNIT_ASSERT_EQUAL( IPQ_OK, ::SetSelectedOutputOn(n, 1) );
CPPUNIT_ASSERT_EQUAL( 0, ::RunAccumulated(n) );
CPPUNIT_ASSERT_EQUAL( 11, ::GetSelectedOutputColumnCount(n) );
CPPUNIT_ASSERT_EQUAL( 2, ::GetSelectedOutputRowCount(n) );
if (n >= 0)
{
CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::DestroyIPhreeqc(n));
}
}
void TestIPhreeqcLib::TestOutputOnOff()
{
int onoff[5];
onoff[0] = 1; // output_on
onoff[1] = 0; // error_on
onoff[2] = 0; // log_on
onoff[3] = 0; // selected_output_on
onoff[4] = 0; // dump_on
TestOnOff("phreeqc.out", onoff[0], onoff[1], onoff[2], onoff[3], onoff[4]);
}
void TestIPhreeqcLib::TestErrorOnOff()
{
int onoff[5];
onoff[0] = 0; // output_on
onoff[1] = 1; // error_on
onoff[2] = 0; // log_on
onoff[3] = 0; // selected_output_on
onoff[4] = 0; // dump_on
TestOnOff("phreeqc.err", onoff[0], onoff[1], onoff[2], onoff[3], onoff[4]);
}
void TestIPhreeqcLib::TestLogOnOff()
{
int onoff[5];
onoff[0] = 0; // output_on
onoff[1] = 0; // error_on
onoff[2] = 1; // log_on
onoff[3] = 0; // selected_output_on
onoff[4] = 0; // dump_on
TestOnOff("phreeqc.log", onoff[0], onoff[1], onoff[2], onoff[3], onoff[4]);
}
void TestIPhreeqcLib::TestDumpOn()
{
int onoff[5];
onoff[0] = 0; // output_on
onoff[1] = 0; // error_on
onoff[2] = 0; // log_on
onoff[3] = 0; // selected_output_on
onoff[4] = 1; // dump_on
TestOnOff("dump.out", onoff[0], onoff[1], onoff[2], onoff[3], onoff[4]);
}
void TestIPhreeqcLib::TestSelOutOnOff()
{
int onoff[5];
onoff[0] = 0; // output_on
onoff[1] = 0; // error_on
onoff[2] = 0; // log_on
onoff[3] = 1; // selected_output_on
onoff[4] = 0; // dump_on
TestOnOff("selected.out", onoff[0], onoff[1], onoff[2], onoff[3], onoff[4]);
}
void TestIPhreeqcLib::TestOnOff(const char* FILENAME, int output_on, int error_on, int log_on, int selected_output_on, int dump_on)
{
int dump_string_on = 0;
int n = ::CreateIPhreeqc();
CPPUNIT_ASSERT(n >= 0);
// remove FILENAME if it exists
//
if (::FileExists(FILENAME))
{
::DeleteFile(FILENAME);
}
CPPUNIT_ASSERT_EQUAL( false, ::FileExists(FILENAME) );
CPPUNIT_ASSERT_EQUAL( 0, ::LoadDatabase(n, "phreeqc.dat") );
// add solution block
CPPUNIT_ASSERT_EQUAL( IPQ_OK, ::SOLUTION(n, 1.0, 1.0, 1.0) );
// add selected output block
CPPUNIT_ASSERT_EQUAL( IPQ_OK, ::SELECTED_OUTPUT(n) );
// add dump block
CPPUNIT_ASSERT_EQUAL( IPQ_OK, ::DUMP(n) );
// run all off
CPPUNIT_ASSERT_EQUAL( IPQ_OK, ::SetDumpOn(n, 0) );
CPPUNIT_ASSERT_EQUAL( IPQ_OK, ::SetErrorOn(n, 0) );
CPPUNIT_ASSERT_EQUAL( IPQ_OK, ::SetLogOn(n, 0) );
CPPUNIT_ASSERT_EQUAL( IPQ_OK, ::SetOutputOn(n, 0) );
CPPUNIT_ASSERT_EQUAL( IPQ_OK, ::SetSelectedOutputOn(n, 0) );
CPPUNIT_ASSERT_EQUAL( IPQ_OK, ::SetDumpStringOn(n, 0) );
CPPUNIT_ASSERT_EQUAL( 0, ::RunAccumulated(n) );
CPPUNIT_ASSERT_EQUAL( false, ::FileExists(FILENAME) );
CPPUNIT_ASSERT_EQUAL( 0, ::LoadDatabase(n, "phreeqc.dat") );
// add solution block
CPPUNIT_ASSERT_EQUAL( IPQ_OK, ::SOLUTION(n, 1.0, 1.0, 1.0) );
// add selected output block
CPPUNIT_ASSERT_EQUAL( IPQ_OK, ::SELECTED_OUTPUT(n) );
// add dump block
CPPUNIT_ASSERT_EQUAL( IPQ_OK, ::DUMP(n) );
// run
CPPUNIT_ASSERT_EQUAL( IPQ_OK, ::SetDumpOn(n, dump_on) );
CPPUNIT_ASSERT_EQUAL( IPQ_OK, ::SetErrorOn(n, error_on) );
CPPUNIT_ASSERT_EQUAL( IPQ_OK, ::SetLogOn(n, log_on) );
CPPUNIT_ASSERT_EQUAL( IPQ_OK, ::SetOutputOn(n, output_on) );
CPPUNIT_ASSERT_EQUAL( IPQ_OK, ::SetSelectedOutputOn(n, selected_output_on) );
CPPUNIT_ASSERT_EQUAL( IPQ_OK, ::SetDumpStringOn(n, dump_string_on) );
CPPUNIT_ASSERT_EQUAL( 0, ::RunAccumulated(n) );
CPPUNIT_ASSERT_EQUAL( true, ::FileExists(FILENAME) );
CPPUNIT_ASSERT( ::DeleteFile(FILENAME) );
CPPUNIT_ASSERT_EQUAL( 0, ::LoadDatabase(n, "phreeqc.dat") );
// add solution block
CPPUNIT_ASSERT_EQUAL( IPQ_OK, ::SOLUTION(n, 1.0, 1.0, 1.0) );
// add selected output block
CPPUNIT_ASSERT_EQUAL( IPQ_OK, ::SELECTED_OUTPUT(n) );
// add dump block
CPPUNIT_ASSERT_EQUAL( IPQ_OK, ::DUMP(n) );
// run
CPPUNIT_ASSERT_EQUAL( IPQ_OK, ::SetDumpOn(n, 0) );
CPPUNIT_ASSERT_EQUAL( IPQ_OK, ::SetErrorOn(n, 0) );
CPPUNIT_ASSERT_EQUAL( IPQ_OK, ::SetLogOn(n, 0) );
CPPUNIT_ASSERT_EQUAL( IPQ_OK, ::SetOutputOn(n, 0) );
CPPUNIT_ASSERT_EQUAL( IPQ_OK, ::SetSelectedOutputOn(n, 0) );
CPPUNIT_ASSERT_EQUAL( IPQ_OK, ::SetDumpStringOn(n, 0) );
CPPUNIT_ASSERT_EQUAL( 0, ::RunAccumulated(n) );
CPPUNIT_ASSERT_EQUAL( false, ::FileExists(FILENAME) );
CPPUNIT_ASSERT_EQUAL( 0, ::LoadDatabase(n, "phreeqc.dat") );
// add solution block
CPPUNIT_ASSERT_EQUAL( IPQ_OK, ::SOLUTION(n, 1.0, 1.0, 1.0) );
// add selected output block
CPPUNIT_ASSERT_EQUAL( IPQ_OK, ::SELECTED_OUTPUT(n) );
// add dump block
CPPUNIT_ASSERT_EQUAL( IPQ_OK, ::DUMP(n) );
// run
CPPUNIT_ASSERT_EQUAL( IPQ_OK, ::SetDumpOn(n, dump_on) );
CPPUNIT_ASSERT_EQUAL( IPQ_OK, ::SetErrorOn(n, error_on) );
CPPUNIT_ASSERT_EQUAL( IPQ_OK, ::SetLogOn(n, log_on) );
CPPUNIT_ASSERT_EQUAL( IPQ_OK, ::SetOutputOn(n, output_on) );
CPPUNIT_ASSERT_EQUAL( IPQ_OK, ::SetSelectedOutputOn(n, selected_output_on) );
CPPUNIT_ASSERT_EQUAL( IPQ_OK, ::SetDumpStringOn(n, dump_string_on) );
CPPUNIT_ASSERT_EQUAL( 0, ::RunAccumulated(n) );
CPPUNIT_ASSERT_EQUAL( true, ::FileExists(FILENAME) );
CPPUNIT_ASSERT( ::DeleteFile(FILENAME) );
if (n >= 0)
{
CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::DestroyIPhreeqc(n));
}
}
void TestIPhreeqcLib::TestLongHeadings(void)
{
char long_header[] = "this_is_a_long_header_0123456789012345678901234567890123456789";
char long_value[] = "this_is_a_long_value_01234567890123456789012345678901234567890";
int n = ::CreateIPhreeqc();
CPPUNIT_ASSERT(n >= 0);
CPPUNIT_ASSERT_EQUAL(0, ::LoadDatabase(n, "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";
CPPUNIT_ASSERT_EQUAL( IPQ_OK, ::AccumulateLine(n, oss.str().c_str()) );
CPPUNIT_ASSERT_EQUAL( IPQ_OK, ::SetOutputOn(n, 0) );
CPPUNIT_ASSERT_EQUAL( IPQ_OK, ::SetErrorOn(n, 0) );
CPPUNIT_ASSERT_EQUAL( IPQ_OK, ::SetLogOn(n, 0) );
CPPUNIT_ASSERT_EQUAL( IPQ_OK, ::SetSelectedOutputOn(n, 0) );
CPPUNIT_ASSERT_EQUAL( IPQ_OK, ::SetDumpOn(n, 0) );
CPPUNIT_ASSERT_EQUAL( 0, ::RunAccumulated(n) );
CPPUNIT_ASSERT_EQUAL( 2, ::GetSelectedOutputRowCount(n));
CPPUNIT_ASSERT_EQUAL( 1, ::GetSelectedOutputColumnCount(n));
CVar v;
CPPUNIT_ASSERT_EQUAL( IPQ_OK, ::GetSelectedOutputValue(n, 0, 0, &v));
CPPUNIT_ASSERT_EQUAL( TT_STRING, v.type);
CPPUNIT_ASSERT_EQUAL( std::string(long_header), std::string(v.sVal));
CVar v1;
CPPUNIT_ASSERT_EQUAL( IPQ_OK, ::GetSelectedOutputValue(n, 1, 0, &v1));
CPPUNIT_ASSERT_EQUAL( TT_STRING, v1.type);
CPPUNIT_ASSERT_EQUAL( std::string(long_value), std::string(v1.sVal));
CPPUNIT_ASSERT_EQUAL( IPQ_INVALIDCOL, ::GetSelectedOutputValue(n, 1, 1, &v1));
CPPUNIT_ASSERT_EQUAL( IPQ_INVALIDROW, ::GetSelectedOutputValue(n, 2, 0, &v1));
if (n >= 0)
{
CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::DestroyIPhreeqc(n));
}
}
void TestIPhreeqcLib::TestDatabaseKeyword()
{
int n = ::CreateIPhreeqc();
CPPUNIT_ASSERT(n >= 0);
CPPUNIT_ASSERT_EQUAL( 0, ::LoadDatabase(n, "phreeqc.dat"));
CPPUNIT_ASSERT_EQUAL( IPQ_OK, ::SetOutputOn(n, 0) );
CPPUNIT_ASSERT_EQUAL( IPQ_OK, ::SetErrorOn(n, 0) );
CPPUNIT_ASSERT_EQUAL( IPQ_OK, ::SetLogOn(n, 0) );
CPPUNIT_ASSERT_EQUAL( IPQ_OK, ::SetSelectedOutputOn(n, 0) );
CPPUNIT_ASSERT_EQUAL( IPQ_OK, ::SetDumpOn(n, 0) );
CPPUNIT_ASSERT_EQUAL( 1, ::RunFile(n, "dump"));
const char *exp_errs =
"ERROR: Gas not found in PHASES data base, Amm(g).\n"
"ERROR: Calculations terminating due to input errors.\n";
const char* err = ::GetErrorString(n);
CPPUNIT_ASSERT_EQUAL(std::string(exp_errs), 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 = ::GetWarningString(n);
CPPUNIT_ASSERT_EQUAL(std::string(exp_warn), std::string(warn));
if (n >= 0)
{
CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::DestroyIPhreeqc(n));
}
}
void TestIPhreeqcLib::TestDumpString()
{
int n = ::CreateIPhreeqc();
CPPUNIT_ASSERT(n >= 0);
CPPUNIT_ASSERT_EQUAL(0, ::LoadDatabase(n, "phreeqc.dat"));
// add solution block
CPPUNIT_ASSERT_EQUAL( IPQ_OK, ::SOLUTION(n, 1.0, 1.0, 1.0) );
// add dump block
CPPUNIT_ASSERT_EQUAL( IPQ_OK, ::DUMP(n) );
// run
CPPUNIT_ASSERT_EQUAL( IPQ_OK, ::SetOutputOn(n, 0) );
CPPUNIT_ASSERT_EQUAL( IPQ_OK, ::SetErrorOn(n, 0) );
CPPUNIT_ASSERT_EQUAL( IPQ_OK, ::SetLogOn(n, 0) );
CPPUNIT_ASSERT_EQUAL( IPQ_OK, ::SetSelectedOutputOn(n, 0) );
CPPUNIT_ASSERT_EQUAL( IPQ_OK, ::SetDumpOn(n, 0) );
CPPUNIT_ASSERT_EQUAL( IPQ_OK, ::SetDumpStringOn(n, 1) );
CPPUNIT_ASSERT_EQUAL( 0, ::RunAccumulated(n) );
const char *expected =
#if defined(_MSC_VER)
"SOLUTION_RAW 1 \n"
" -temp 25\n"
" -total_h 111.0132593403\n"
" -total_o 55.509043478605\n"
" -cb 0.0021723831003929\n"
" -totals\n"
" C(4) 0.0010000000000376\n"
" Ca 0.001000000004331\n"
" H(0) 1.4149476909313e-025\n"
" Na 0.001\n"
" -Isotopes\n"
" -pH 7\n"
" -pe 4\n"
" -mu 0.0028961089894362\n"
" -ah2o 0.99994915105857\n"
" -mass_water 1\n"
" -total_alkalinity 0.00082761690826911\n"
" -activities\n"
" C(-4) -67.370522674574\n"
" C(4) -6.4415889265024\n"
" Ca -3.1040445240857\n"
" E -4\n"
" H(0) -25.15\n"
" Na -3.0255625287599\n"
" O(0) -42.080044167952\n"
" -gammas\n";
#endif
#if defined(__GNUC__)
"SOLUTION_RAW 1 \n"
" -temp 25\n"
" -total_h 111.0132593403\n"
" -total_o 55.509043478605\n"
" -cb 0.0021723831003928\n"
" -totals\n"
" C(4) 0.0010000000000376\n"
" Ca 0.001000000004331\n"
" H(0) 1.4149476909313e-25\n"
" Na 0.001\n"
" -Isotopes\n"
" -pH 7\n"
" -pe 4\n"
" -mu 0.0028961089894362\n"
" -ah2o 0.99994915105857\n"
" -mass_water 1\n"
" -total_alkalinity 0.00082761690826912\n"
" -activities\n"
" C(-4) -67.370522674574\n"
" C(4) -6.4415889265024\n"
" Ca -3.1040445240857\n"
" E -4\n"
" H(0) -25.15\n"
" Na -3.0255625287599\n"
" O(0) -42.080044167952\n"
" -gammas\n";
#endif
const char* dump_str = ::GetDumpString(n);
CPPUNIT_ASSERT_EQUAL(std::string(expected), std::string(dump_str));
if (n >= 0)
{
CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::DestroyIPhreeqc(n));
}
}
void TestIPhreeqcLib::TestGetDumpLineCount(void)
{
int n = ::CreateIPhreeqc();
CPPUNIT_ASSERT(n >= 0);
CPPUNIT_ASSERT_EQUAL( 0, ::LoadDatabase(n, "phreeqc.dat"));
// add solution block
CPPUNIT_ASSERT_EQUAL( IPQ_OK, ::SOLUTION(n, 1.0, 1.0, 1.0) );
// add dump block
CPPUNIT_ASSERT_EQUAL( IPQ_OK, ::DUMP(n) );
// run
CPPUNIT_ASSERT_EQUAL( IPQ_OK, ::SetOutputOn(n, 0) );
CPPUNIT_ASSERT_EQUAL( IPQ_OK, ::SetErrorOn(n, 0) );
CPPUNIT_ASSERT_EQUAL( IPQ_OK, ::SetLogOn(n, 0) );
CPPUNIT_ASSERT_EQUAL( IPQ_OK, ::SetSelectedOutputOn(n, 0) );
CPPUNIT_ASSERT_EQUAL( IPQ_OK, ::SetDumpOn(n, 0) );
CPPUNIT_ASSERT_EQUAL( IPQ_OK, ::SetDumpStringOn(n, 1) );
CPPUNIT_ASSERT_EQUAL( 0, ::RunAccumulated(n) );
CPPUNIT_ASSERT_EQUAL( 26, ::GetDumpLineCount(n) );
if (n >= 0)
{
CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::DestroyIPhreeqc(n));
}
}
void TestIPhreeqcLib::TestGetDumpLine(void)
{
int n = ::CreateIPhreeqc();
CPPUNIT_ASSERT(n >= 0);
CPPUNIT_ASSERT_EQUAL( 0, ::LoadDatabase(n, "phreeqc.dat"));
// add solution block
CPPUNIT_ASSERT_EQUAL( IPQ_OK, ::SOLUTION(n, 1.0, 1.0, 1.0) );
// add dump block
CPPUNIT_ASSERT_EQUAL( IPQ_OK, ::DUMP(n) );
// run
CPPUNIT_ASSERT_EQUAL( IPQ_OK, ::SetOutputOn(n, 0) );
CPPUNIT_ASSERT_EQUAL( IPQ_OK, ::SetErrorOn(n, 0) );
CPPUNIT_ASSERT_EQUAL( IPQ_OK, ::SetLogOn(n, 0) );
CPPUNIT_ASSERT_EQUAL( IPQ_OK, ::SetSelectedOutputOn(n, 0) );
CPPUNIT_ASSERT_EQUAL( IPQ_OK, ::SetDumpOn(n, 0) );
CPPUNIT_ASSERT_EQUAL( IPQ_OK, ::SetDumpStringOn(n, 1) );
CPPUNIT_ASSERT_EQUAL( 0, ::RunAccumulated(n) );
CPPUNIT_ASSERT_EQUAL( 26, ::GetDumpLineCount(n) );
int line = 0;
#if defined(_MSC_VER)
CPPUNIT_ASSERT_EQUAL( std::string("SOLUTION_RAW 1 "), std::string(::GetDumpLine(n, line++)) );
CPPUNIT_ASSERT_EQUAL( std::string(" -temp 25"), std::string(::GetDumpLine(n, line++)) );
CPPUNIT_ASSERT_EQUAL( std::string(" -total_h 111.0132593403"), std::string(::GetDumpLine(n, line++)) );
CPPUNIT_ASSERT_EQUAL( std::string(" -total_o 55.509043478605"), std::string(::GetDumpLine(n, line++)) );
CPPUNIT_ASSERT_EQUAL( std::string(" -cb 0.0021723831003929"), std::string(::GetDumpLine(n, line++)) );
CPPUNIT_ASSERT_EQUAL( std::string(" -totals"), std::string(::GetDumpLine(n, line++)) );
CPPUNIT_ASSERT_EQUAL( std::string(" C(4) 0.0010000000000376"), std::string(::GetDumpLine(n, line++)) );
CPPUNIT_ASSERT_EQUAL( std::string(" Ca 0.001000000004331"), std::string(::GetDumpLine(n, line++)) );
CPPUNIT_ASSERT_EQUAL( std::string(" H(0) 1.4149476909313e-025"), std::string(::GetDumpLine(n, line++)) );
CPPUNIT_ASSERT_EQUAL( std::string(" Na 0.001"), std::string(::GetDumpLine(n, line++)) );
CPPUNIT_ASSERT_EQUAL( std::string(" -Isotopes"), std::string(::GetDumpLine(n, line++)) );
CPPUNIT_ASSERT_EQUAL( std::string(" -pH 7"), std::string(::GetDumpLine(n, line++)) );
CPPUNIT_ASSERT_EQUAL( std::string(" -pe 4"), std::string(::GetDumpLine(n, line++)) );
CPPUNIT_ASSERT_EQUAL( std::string(" -mu 0.0028961089894362"), std::string(::GetDumpLine(n, line++)) );
CPPUNIT_ASSERT_EQUAL( std::string(" -ah2o 0.99994915105857"), std::string(::GetDumpLine(n, line++)) );
CPPUNIT_ASSERT_EQUAL( std::string(" -mass_water 1"), std::string(::GetDumpLine(n, line++)) );
CPPUNIT_ASSERT_EQUAL( std::string(" -total_alkalinity 0.00082761690826911"), std::string(::GetDumpLine(n, line++)) );
CPPUNIT_ASSERT_EQUAL( std::string(" -activities"), std::string(::GetDumpLine(n, line++)) );
CPPUNIT_ASSERT_EQUAL( std::string(" C(-4) -67.370522674574"), std::string(::GetDumpLine(n, line++)) );
CPPUNIT_ASSERT_EQUAL( std::string(" C(4) -6.4415889265024"), std::string(::GetDumpLine(n, line++)) );
CPPUNIT_ASSERT_EQUAL( std::string(" Ca -3.1040445240857"), std::string(::GetDumpLine(n, line++)) );
CPPUNIT_ASSERT_EQUAL( std::string(" E -4"), std::string(::GetDumpLine(n, line++)) );
CPPUNIT_ASSERT_EQUAL( std::string(" H(0) -25.15"), std::string(::GetDumpLine(n, line++)) );
CPPUNIT_ASSERT_EQUAL( std::string(" Na -3.0255625287599"), std::string(::GetDumpLine(n, line++)) );
CPPUNIT_ASSERT_EQUAL( std::string(" O(0) -42.080044167952"), std::string(::GetDumpLine(n, line++)) );
CPPUNIT_ASSERT_EQUAL( std::string(" -gammas"), std::string(::GetDumpLine(n, line++)) );
#endif
#if defined(__GNUC__)
CPPUNIT_ASSERT_EQUAL( std::string("SOLUTION_RAW 1 "), std::string(::GetDumpLine(n, line++)) );
CPPUNIT_ASSERT_EQUAL( std::string(" -temp 25"), std::string(::GetDumpLine(n, line++)) );
CPPUNIT_ASSERT_EQUAL( std::string(" -total_h 111.0132593403"), std::string(::GetDumpLine(n, line++)) );
CPPUNIT_ASSERT_EQUAL( std::string(" -total_o 55.509043478605"), std::string(::GetDumpLine(n, line++)) );
CPPUNIT_ASSERT_EQUAL( std::string(" -cb 0.0021723831003928"), std::string(::GetDumpLine(n, line++)) );
CPPUNIT_ASSERT_EQUAL( std::string(" -totals"), std::string(::GetDumpLine(n, line++)) );
CPPUNIT_ASSERT_EQUAL( std::string(" C(4) 0.0010000000000376"), std::string(::GetDumpLine(n, line++)) );
CPPUNIT_ASSERT_EQUAL( std::string(" Ca 0.001000000004331"), std::string(::GetDumpLine(n, line++)) );
CPPUNIT_ASSERT_EQUAL( std::string(" H(0) 1.4149476909313e-25"), std::string(::GetDumpLine(n, line++)) );
CPPUNIT_ASSERT_EQUAL( std::string(" Na 0.001"), std::string(::GetDumpLine(n, line++)) );
CPPUNIT_ASSERT_EQUAL( std::string(" -Isotopes"), std::string(::GetDumpLine(n, line++)) );
CPPUNIT_ASSERT_EQUAL( std::string(" -pH 7"), std::string(::GetDumpLine(n, line++)) );
CPPUNIT_ASSERT_EQUAL( std::string(" -pe 4"), std::string(::GetDumpLine(n, line++)) );
CPPUNIT_ASSERT_EQUAL( std::string(" -mu 0.0028961089894362"), std::string(::GetDumpLine(n, line++)) );
CPPUNIT_ASSERT_EQUAL( std::string(" -ah2o 0.99994915105857"), std::string(::GetDumpLine(n, line++)) );
CPPUNIT_ASSERT_EQUAL( std::string(" -mass_water 1"), std::string(::GetDumpLine(n, line++)) );
CPPUNIT_ASSERT_EQUAL( std::string(" -total_alkalinity 0.00082761690826912"), std::string(::GetDumpLine(n, line++)) );
CPPUNIT_ASSERT_EQUAL( std::string(" -activities"), std::string(::GetDumpLine(n, line++)) );
CPPUNIT_ASSERT_EQUAL( std::string(" C(-4) -67.370522674574"), std::string(::GetDumpLine(n, line++)) );
CPPUNIT_ASSERT_EQUAL( std::string(" C(4) -6.4415889265024"), std::string(::GetDumpLine(n, line++)) );
CPPUNIT_ASSERT_EQUAL( std::string(" Ca -3.1040445240857"), std::string(::GetDumpLine(n, line++)) );
CPPUNIT_ASSERT_EQUAL( std::string(" E -4"), std::string(::GetDumpLine(n, line++)) );
CPPUNIT_ASSERT_EQUAL( std::string(" H(0) -25.15"), std::string(::GetDumpLine(n, line++)) );
CPPUNIT_ASSERT_EQUAL( std::string(" Na -3.0255625287599"), std::string(::GetDumpLine(n, line++)) );
CPPUNIT_ASSERT_EQUAL( std::string(" O(0) -42.080044167952"), std::string(::GetDumpLine(n, line++)) );
CPPUNIT_ASSERT_EQUAL( std::string(" -gammas"), std::string(::GetDumpLine(n, line++)) );
#endif
// remaining lines should be empty
CPPUNIT_ASSERT_EQUAL( std::string(""), std::string(::GetDumpLine(n, line++)) );
CPPUNIT_ASSERT_EQUAL( std::string(""), std::string(::GetDumpLine(n, line++)) );
CPPUNIT_ASSERT_EQUAL( std::string(""), std::string(::GetDumpLine(n, line++)) );
CPPUNIT_ASSERT_EQUAL( std::string(""), std::string(::GetDumpLine(n, line++)) );
// negative lines should be empty
CPPUNIT_ASSERT_EQUAL( std::string(""), std::string(::GetDumpLine(n, -1)) );
CPPUNIT_ASSERT_EQUAL( std::string(""), std::string(::GetDumpLine(n, -2)) );
CPPUNIT_ASSERT_EQUAL( std::string(""), std::string(::GetDumpLine(n, -3)) );
CPPUNIT_ASSERT_EQUAL( std::string(""), std::string(::GetDumpLine(n, -4)) );
if (n >= 0)
{
CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::DestroyIPhreeqc(n));
}
}
void TestIPhreeqcLib::TestGetComponentCount(void)
{
int n = ::CreateIPhreeqc();
CPPUNIT_ASSERT(n >= 0);
CPPUNIT_ASSERT_EQUAL( 0, ::LoadDatabase(n, "phreeqc.dat") );
// add solution block
CPPUNIT_ASSERT_EQUAL( IPQ_OK, ::SOLUTION(n, 1.0, 1.0, 1.0) );
// run
CPPUNIT_ASSERT_EQUAL( IPQ_OK, ::SetOutputOn(n, 0) );
CPPUNIT_ASSERT_EQUAL( IPQ_OK, ::SetErrorOn(n, 0) );
CPPUNIT_ASSERT_EQUAL( IPQ_OK, ::SetLogOn(n, 0) );
CPPUNIT_ASSERT_EQUAL( IPQ_OK, ::SetSelectedOutputOn(n, 0) );
CPPUNIT_ASSERT_EQUAL( IPQ_OK, ::SetDumpOn(n, 0) );
CPPUNIT_ASSERT_EQUAL( IPQ_OK, ::SetDumpStringOn(n, 0) );
CPPUNIT_ASSERT_EQUAL( 0, ::RunAccumulated(n) );
CPPUNIT_ASSERT_EQUAL( 3, ::GetComponentCount(n) );
if (n >= 0)
{
CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::DestroyIPhreeqc(n));
}
}
void TestIPhreeqcLib::TestGetComponent(void)
{
int n = ::CreateIPhreeqc();
CPPUNIT_ASSERT(n >= 0);
CPPUNIT_ASSERT_EQUAL( 0, ::LoadDatabase(n, "phreeqc.dat") );
// add solution block
CPPUNIT_ASSERT_EQUAL( IPQ_OK, ::SOLUTION(n, 1.0, 1.0, 1.0) );
// run
CPPUNIT_ASSERT_EQUAL( IPQ_OK, ::SetOutputOn(n, 0) );
CPPUNIT_ASSERT_EQUAL( IPQ_OK, ::SetErrorOn(n, 0) );
CPPUNIT_ASSERT_EQUAL( IPQ_OK, ::SetLogOn(n, 0) );
CPPUNIT_ASSERT_EQUAL( IPQ_OK, ::SetSelectedOutputOn(n, 0) );
CPPUNIT_ASSERT_EQUAL( IPQ_OK, ::SetDumpOn(n, 0) );
CPPUNIT_ASSERT_EQUAL( IPQ_OK, ::SetDumpStringOn(n, 0) );
CPPUNIT_ASSERT_EQUAL( 0, ::RunAccumulated(n) );
CPPUNIT_ASSERT_EQUAL( 3, ::GetComponentCount(n) );
CPPUNIT_ASSERT_EQUAL( std::string(""), std::string(::GetComponent(n, -2)) );
CPPUNIT_ASSERT_EQUAL( std::string(""), std::string(::GetComponent(n, -1)) );
CPPUNIT_ASSERT_EQUAL( std::string("C"), std::string(::GetComponent(n, 0)) );
CPPUNIT_ASSERT_EQUAL( std::string("Ca"), std::string(::GetComponent(n, 1)) );
CPPUNIT_ASSERT_EQUAL( std::string("Na"), std::string(::GetComponent(n, 2)) );
CPPUNIT_ASSERT_EQUAL( std::string(""), std::string(::GetComponent(n, 3)) );
CPPUNIT_ASSERT_EQUAL( std::string(""), std::string(::GetComponent(n, 4)) );
CPPUNIT_ASSERT_EQUAL( std::string(""), std::string(::GetComponent(n, 5)) );
if (n >= 0)
{
CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::DestroyIPhreeqc(n));
}
}
void TestIPhreeqcLib::TestGetErrorLine(void)
{
int n = ::CreateIPhreeqc();
CPPUNIT_ASSERT(n >= 0);
CPPUNIT_ASSERT_EQUAL( 0, ::LoadDatabase(n, "phreeqc.dat") );
CPPUNIT_ASSERT_EQUAL( IPQ_OK, ::SetOutputOn(n, 0) );
CPPUNIT_ASSERT_EQUAL( IPQ_OK, ::SetErrorOn(n, 0) );
CPPUNIT_ASSERT_EQUAL( IPQ_OK, ::SetLogOn(n, 0) );
CPPUNIT_ASSERT_EQUAL( IPQ_OK, ::SetSelectedOutputOn(n, 0) );
CPPUNIT_ASSERT_EQUAL( IPQ_OK, ::SetDumpOn(n, 0) );
CPPUNIT_ASSERT_EQUAL( 1, ::RunFile(n, "dump") );
CPPUNIT_ASSERT_EQUAL( 2, ::GetErrorLineCount(n) );
CPPUNIT_ASSERT_EQUAL( std::string("ERROR: Gas not found in PHASES data base, Amm(g)."), std::string(::GetErrorLine(n, 0)) );
CPPUNIT_ASSERT_EQUAL( std::string("ERROR: Calculations terminating due to input errors."), std::string(::GetErrorLine(n, 1)) );
if (n >= 0)
{
CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::DestroyIPhreeqc(n));
}
}
void TestIPhreeqcLib::TestGetWarningLine(void)
{
int n = ::CreateIPhreeqc();
CPPUNIT_ASSERT(n >= 0);
CPPUNIT_ASSERT_EQUAL( 0, ::LoadDatabase(n, "phreeqc.dat") );
CPPUNIT_ASSERT_EQUAL( IPQ_OK, ::SetOutputOn(n, 0) );
CPPUNIT_ASSERT_EQUAL( IPQ_OK, ::SetErrorOn(n, 0) );
CPPUNIT_ASSERT_EQUAL( IPQ_OK, ::SetLogOn(n, 0) );
CPPUNIT_ASSERT_EQUAL( IPQ_OK, ::SetSelectedOutputOn(n, 0) );
CPPUNIT_ASSERT_EQUAL( IPQ_OK, ::SetDumpOn(n, 0) );
CPPUNIT_ASSERT_EQUAL( 1, ::RunFile(n, "dump") );
CPPUNIT_ASSERT_EQUAL( 5, ::GetWarningLineCount(n) );
CPPUNIT_ASSERT_EQUAL( std::string("WARNING: DATABASE keyword is ignored by IPhreeqc."), std::string(::GetWarningLine(n, 0)) );
CPPUNIT_ASSERT_EQUAL( std::string("WARNING: Cell-lengths were read for 1 cells. Last value is used till cell 100."), std::string(::GetWarningLine(n, 1)) );
CPPUNIT_ASSERT_EQUAL( std::string("WARNING: No dispersivities were read; disp = 0 assumed."), std::string(::GetWarningLine(n, 2)) );
CPPUNIT_ASSERT_EQUAL( std::string("WARNING: Could not find element in database, Amm."), std::string(::GetWarningLine(n, 3)) );
CPPUNIT_ASSERT_EQUAL( std::string(" Concentration is set to zero."), std::string(::GetWarningLine(n, 4)) );
if (n >= 0)
{
CPPUNIT_ASSERT_EQUAL(IPQ_OK, ::DestroyIPhreeqc(n));
}
}
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