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iphreeqc/unit/TestIPhreeqc.cpp
Scott R Charlton 78a18a6a3c passes all uncommented tests on windows 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/branches/ErrorHandling@5882 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2011-12-12 21:49:39 +00:00

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#include "TestIPhreeqc.h"
#include <cmath>
#include <cfloat>
#include <cassert>
#include "IPhreeqc.hpp"
#include "Phreeqc.h"
#undef true
#undef false
#include "CVar.hxx"
#if defined(_WIN32) || defined(__CYGWIN32__)
// DeleteFile defined in <windows.h>
#else
int DeleteFile(const char* szPathName);
#endif
bool FileExists(const char *szPathName);
size_t FileSize(const char *szPathName);
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 TestOnOff(const char* FILENAME, bool output_on, bool error_on, bool log_on, bool selected_output_on, bool dump_on);
TestIPhreeqc::TestIPhreeqc(void)
{
}
TestIPhreeqc::~TestIPhreeqc(void)
{
}
void TestIPhreeqc::TestLoadDatabase(void)
{
IPhreeqc obj;
for (int i = 0; i < 10; ++i)
{
CPPUNIT_ASSERT_EQUAL(true, ::FileExists("phreeqc.dat"));
CPPUNIT_ASSERT(::FileSize("phreeqc.dat") > 0);
CPPUNIT_ASSERT_EQUAL(0, obj.LoadDatabase("phreeqc.dat"));
}
}
void TestIPhreeqc::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";
IPhreeqc obj;
CPPUNIT_ASSERT_EQUAL(0, obj.LoadDatabaseString(ex15_dat));
}
void TestIPhreeqc::TestLoadDatabaseMissingFile(void)
{
CPPUNIT_ASSERT_EQUAL(false, ::FileExists("missing.file"));
IPhreeqc obj;
CPPUNIT_ASSERT_EQUAL(1, obj.LoadDatabase("missing.file"));
CPPUNIT_ASSERT_EQUAL(1, obj.LoadDatabase("missing.file"));
CPPUNIT_ASSERT_EQUAL(1, obj.LoadDatabase("missing.file"));
const char expected[] =
"ERROR: LoadDatabase: Unable to open:\"missing.file\".\n";
const char* err = obj.GetErrorString();
CPPUNIT_ASSERT_EQUAL( std::string(expected), std::string(err) );
}
void TestIPhreeqc::TestLoadDatabaseWithErrors(void)
{
#if defined(_WIN32)
int n0 = ::_fcloseall();
assert(n0 == 0);
#endif
IPhreeqc obj;
for (int i = 0; i < 10; ++i)
{
CPPUNIT_ASSERT_EQUAL(true, ::FileExists("missing_e.dat"));
CPPUNIT_ASSERT(::FileSize("missing_e.dat") > 0);
CPPUNIT_ASSERT_EQUAL(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();
CPPUNIT_ASSERT_EQUAL( std::string(expected), std::string(err) );
}
#if defined(_WIN32)
int n = ::_fcloseall();
assert(n == 0);
#endif
}
void TestIPhreeqc::TestRunAccumulated(void)
{
#if defined(_WIN32)
int n = ::_fcloseall();
assert(n == 0);
#endif
bool files_on = false;
IPhreeqc obj;
CPPUNIT_ASSERT_EQUAL(0, obj.LoadDatabase("phreeqc.dat"));
CPPUNIT_ASSERT_EQUAL(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);
CPPUNIT_ASSERT_EQUAL(0, obj.RunAccumulated());
}
void TestIPhreeqc::TestRunWithErrors(void)
{
const char dump_file[] = "error.inp";
IPhreeqc obj;
// remove dump file if it exists
//
if (::FileExists(dump_file))
{
CPPUNIT_ASSERT(::DeleteFile(dump_file));
}
bool files_on = false;
CPPUNIT_ASSERT_EQUAL(0, obj.LoadDatabase("phreeqc.dat"));
CPPUNIT_ASSERT_EQUAL(VR_OK, obj.AccumulateLine("SOLUTION 1"));
CPPUNIT_ASSERT_EQUAL(VR_OK, obj.AccumulateLine(" pH 7"));
CPPUNIT_ASSERT_EQUAL(VR_OK, obj.AccumulateLine(" Na 1"));
CPPUNIT_ASSERT_EQUAL(VR_OK, obj.AccumulateLine("PHASES"));
CPPUNIT_ASSERT_EQUAL(VR_OK, obj.AccumulateLine(" Fix_H+"));
CPPUNIT_ASSERT_EQUAL(VR_OK, obj.AccumulateLine(" H+ = H+"));
CPPUNIT_ASSERT_EQUAL(VR_OK, obj.AccumulateLine(" log_k 0"));
CPPUNIT_ASSERT_EQUAL(VR_OK, obj.AccumulateLine("EQUILIBRIUM_PHASES"));
CPPUNIT_ASSERT_EQUAL(VR_OK, obj.AccumulateLine(" Fix_H+ -10 HCl 10"));
CPPUNIT_ASSERT_EQUAL(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);
CPPUNIT_ASSERT_EQUAL(1, obj.RunAccumulated());
const char expected[] =
"ERROR: Numerical method failed on all combinations of convergence parameters\n";
const char* err = obj.GetErrorString();
CPPUNIT_ASSERT_EQUAL( std::string(expected), std::string(err) );
CPPUNIT_ASSERT_EQUAL( true, ::FileExists(dump_file) );
CPPUNIT_ASSERT( ::FileSize(dump_file) > 0 );
CPPUNIT_ASSERT( ::DeleteFile(dump_file) );
}
void TestIPhreeqc::TestRunFile(void)
{
const char dump_file[] = "error.inp";
// remove dump file if it exists
//
if (::FileExists(dump_file))
{
CPPUNIT_ASSERT(::DeleteFile(dump_file));
}
IPhreeqc obj;
CPPUNIT_ASSERT_EQUAL(0, obj.LoadDatabase("phreeqc.dat"));
obj.SetOutputFileOn(false);
obj.SetErrorFileOn(false);
obj.SetLogFileOn(false);
obj.SetSelectedOutputFileOn(false);
obj.SetDumpFileOn(false);
CPPUNIT_ASSERT_EQUAL(1, obj.RunFile("conv_fail.in"));
const char expected[] =
"ERROR: Numerical method failed on all combinations of convergence parameters\n";
const char* err = obj.GetErrorString();
CPPUNIT_ASSERT_EQUAL(std::string(expected), std::string(err));
// Note: should this file exist since GetDumpFileOn is false?
CPPUNIT_ASSERT_EQUAL( true, ::FileExists(dump_file) );
CPPUNIT_ASSERT( ::FileSize(dump_file) > 0 );
CPPUNIT_ASSERT( ::DeleteFile(dump_file) );
}
void TestIPhreeqc::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";
IPhreeqc obj;
if (::FileExists("phreeqc.out"))
{
CPPUNIT_ASSERT(::DeleteFile("phreeqc.out"));
}
CPPUNIT_ASSERT_EQUAL(false, ::FileExists("phreeqc.out"));
CPPUNIT_ASSERT_EQUAL(0, obj.LoadDatabase("phreeqc.dat"));
obj.SetOutputFileOn(1);
obj.SetErrorFileOn(0);
obj.SetLogFileOn(0);
obj.SetSelectedOutputFileOn(0);
obj.SetDumpFileOn(0);
CPPUNIT_ASSERT_EQUAL(false, ::FileExists("phreeqc.out"));
CPPUNIT_ASSERT_EQUAL(0, obj.RunString(input));
CPPUNIT_ASSERT_EQUAL(true, ::FileExists("phreeqc.out"));
CPPUNIT_ASSERT(::FileSize("phreeqc.out") > 0);
if (::FileExists("phreeqc.out"))
{
CPPUNIT_ASSERT(::DeleteFile("phreeqc.out"));
}
}
void TestIPhreeqc::TestGetSelectedOutputRowCount(void)
{
IPhreeqc obj;
CPPUNIT_ASSERT_EQUAL(0, obj.LoadDatabase("llnl.dat"));
int max = 6;
CPPUNIT_ASSERT_EQUAL(VR_OK, SOLUTION(obj, 1.0, 1.0, 1.0));
CPPUNIT_ASSERT_EQUAL(VR_OK, EQUILIBRIUM_PHASES(obj, "calcite", 0.0, 0.010));
CPPUNIT_ASSERT_EQUAL(VR_OK, USER_PUNCH(obj, "Ca", max));
obj.SetOutputFileOn(false);
obj.SetErrorFileOn(false);
obj.SetLogFileOn(false);
obj.SetSelectedOutputFileOn(false);
obj.SetDumpFileOn(false);
CPPUNIT_ASSERT_EQUAL(0, obj.RunAccumulated());
CPPUNIT_ASSERT_EQUAL(3, obj.GetSelectedOutputRowCount()); // rows + header
}
void TestIPhreeqc::TestGetSelectedOutputValue(void)
{
int col;
IPhreeqc obj;
CPPUNIT_ASSERT_EQUAL(0, obj.LoadDatabase("llnl.dat"));
int max = 6;
CPPUNIT_ASSERT_EQUAL(VR_OK, SOLUTION(obj, 1.0, 1.0, 1.0));
CPPUNIT_ASSERT_EQUAL(VR_OK, EQUILIBRIUM_PHASES(obj, "calcite", 0.0, 0.010));
CPPUNIT_ASSERT_EQUAL(VR_OK, USER_PUNCH(obj, "Ca", max));
obj.SetOutputFileOn(0);
obj.SetErrorFileOn(0);
obj.SetLogFileOn(0);
obj.SetSelectedOutputFileOn(0);
obj.SetDumpFileOn(0);
CPPUNIT_ASSERT_EQUAL(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;
CPPUNIT_ASSERT_EQUAL(VR_INVALIDROW, obj.GetSelectedOutputValue(-1, 0, &v));
CPPUNIT_ASSERT_EQUAL(TT_ERROR, v.type);
CPPUNIT_ASSERT_EQUAL(VR_INVALIDROW, v.vresult);
CPPUNIT_ASSERT_EQUAL(VR_INVALIDROW, obj.GetSelectedOutputValue(obj.GetSelectedOutputRowCount(), 0, &v));
CPPUNIT_ASSERT_EQUAL(TT_ERROR, v.type);
CPPUNIT_ASSERT_EQUAL(VR_INVALIDROW, v.vresult);
CPPUNIT_ASSERT_EQUAL(VR_INVALIDCOL, obj.GetSelectedOutputValue(0, -1, &v));
CPPUNIT_ASSERT_EQUAL(TT_ERROR, v.type);
CPPUNIT_ASSERT_EQUAL(VR_INVALIDCOL, v.vresult);
CPPUNIT_ASSERT_EQUAL(VR_INVALIDCOL, obj.GetSelectedOutputValue(0, obj.GetSelectedOutputColumnCount(), &v));
CPPUNIT_ASSERT_EQUAL(TT_ERROR, v.type);
CPPUNIT_ASSERT_EQUAL(VR_INVALIDCOL, v.vresult);
CPPUNIT_ASSERT_EQUAL(VR_OK, obj.GetSelectedOutputValue(0, 0, &v));
CPPUNIT_ASSERT_EQUAL(TT_STRING, v.type);
CPPUNIT_ASSERT_EQUAL( std::string("sim"), std::string(v.sVal));
CPPUNIT_ASSERT_EQUAL(VR_OK, obj.GetSelectedOutputValue(0, 1, &v));
CPPUNIT_ASSERT_EQUAL(TT_STRING, v.type);
CPPUNIT_ASSERT_EQUAL( std::string("state"), std::string(v.sVal));
CPPUNIT_ASSERT_EQUAL(VR_OK, obj.GetSelectedOutputValue(0, 2, &v));
CPPUNIT_ASSERT_EQUAL(TT_STRING, v.type);
CPPUNIT_ASSERT_EQUAL( std::string("soln"), std::string(v.sVal));
CPPUNIT_ASSERT_EQUAL(VR_OK, obj.GetSelectedOutputValue(0, 3, &v));
CPPUNIT_ASSERT_EQUAL(TT_STRING, v.type);
CPPUNIT_ASSERT_EQUAL( std::string("dist_x"), std::string(v.sVal));
CPPUNIT_ASSERT_EQUAL(VR_OK, obj.GetSelectedOutputValue(0, 4, &v));
CPPUNIT_ASSERT_EQUAL(TT_STRING, v.type);
CPPUNIT_ASSERT_EQUAL( std::string("time"), std::string(v.sVal));
CPPUNIT_ASSERT_EQUAL(VR_OK, obj.GetSelectedOutputValue(0, 5, &v));
CPPUNIT_ASSERT_EQUAL(TT_STRING, v.type);
CPPUNIT_ASSERT_EQUAL( std::string("step"), std::string(v.sVal));
CPPUNIT_ASSERT_EQUAL(VR_OK, obj.GetSelectedOutputValue(0, 6, &v));
CPPUNIT_ASSERT_EQUAL(TT_STRING, v.type);
CPPUNIT_ASSERT_EQUAL( std::string("pH"), std::string(v.sVal));
CPPUNIT_ASSERT_EQUAL(VR_OK, obj.GetSelectedOutputValue(0, 7, &v));
CPPUNIT_ASSERT_EQUAL(TT_STRING, v.type);
CPPUNIT_ASSERT_EQUAL( std::string("pe"), std::string(v.sVal));
col = 7;
// -totals C Ca Na
++col;
CPPUNIT_ASSERT_EQUAL(VR_OK, obj.GetSelectedOutputValue(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(VR_OK, obj.GetSelectedOutputValue(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(VR_OK, obj.GetSelectedOutputValue(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(VR_OK, obj.GetSelectedOutputValue(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(VR_OK, obj.GetSelectedOutputValue(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(VR_OK, obj.GetSelectedOutputValue(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(VR_OK, obj.GetSelectedOutputValue(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(VR_OK, obj.GetSelectedOutputValue(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(VR_OK, obj.GetSelectedOutputValue(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(VR_OK, obj.GetSelectedOutputValue(0, col, &v));
CPPUNIT_ASSERT_EQUAL(TT_STRING, v.type);
CPPUNIT_ASSERT_EQUAL( std::string("Calcite"), std::string(v.sVal));
++col;
CPPUNIT_ASSERT_EQUAL(VR_OK, obj.GetSelectedOutputValue(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(VR_OK, obj.GetSelectedOutputValue(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(VR_OK, obj.GetSelectedOutputValue(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(VR_OK, obj.GetSelectedOutputValue(0, col, &v));
CPPUNIT_ASSERT_EQUAL(TT_STRING, v.type);
CPPUNIT_ASSERT_EQUAL( std::string("pressure"), std::string(v.sVal));
++col;
CPPUNIT_ASSERT_EQUAL(VR_OK, obj.GetSelectedOutputValue(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(VR_OK, obj.GetSelectedOutputValue(0, col, &v));
CPPUNIT_ASSERT_EQUAL(TT_STRING, v.type);
CPPUNIT_ASSERT_EQUAL( std::string("volume"), std::string(v.sVal));
++col;
CPPUNIT_ASSERT_EQUAL(VR_OK, obj.GetSelectedOutputValue(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(VR_OK, obj.GetSelectedOutputValue(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(VR_OK, obj.GetSelectedOutputValue(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(VR_OK, obj.GetSelectedOutputValue(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(VR_OK, obj.GetSelectedOutputValue(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(VR_OK, obj.GetSelectedOutputValue(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(VR_OK, obj.GetSelectedOutputValue(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(VR_OK, obj.GetSelectedOutputValue(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(VR_OK, obj.GetSelectedOutputValue(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(VR_OK, obj.GetSelectedOutputValue(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(VR_OK, obj.GetSelectedOutputValue(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(VR_OK, obj.GetSelectedOutputValue(1, col, &v));
CPPUNIT_ASSERT_EQUAL(TT_LONG, v.type);
CPPUNIT_ASSERT_EQUAL( 1L, v.lVal );
// react
CPPUNIT_ASSERT_EQUAL(VR_OK, obj.GetSelectedOutputValue(2, col, &v));
CPPUNIT_ASSERT_EQUAL(TT_LONG, v.type);
CPPUNIT_ASSERT_EQUAL( 1L, v.lVal );
// state
//
++col;
// i_soln
CPPUNIT_ASSERT_EQUAL(VR_OK, obj.GetSelectedOutputValue(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(VR_OK, obj.GetSelectedOutputValue(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(VR_OK, obj.GetSelectedOutputValue(1, col, &v));
CPPUNIT_ASSERT_EQUAL(TT_LONG, v.type);
CPPUNIT_ASSERT_EQUAL( 1L, v.lVal );
// react
CPPUNIT_ASSERT_EQUAL(VR_OK, obj.GetSelectedOutputValue(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(VR_OK, obj.GetSelectedOutputValue(1, col, &v));
CPPUNIT_ASSERT_EQUAL(TT_LONG, v.type);
CPPUNIT_ASSERT_EQUAL( -99L, v.lVal );
// react
CPPUNIT_ASSERT_EQUAL(VR_OK, obj.GetSelectedOutputValue(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(VR_OK, obj.GetSelectedOutputValue(1, col, &v));
CPPUNIT_ASSERT_EQUAL(TT_LONG, v.type);
CPPUNIT_ASSERT_EQUAL( -99L, v.lVal );
// react
CPPUNIT_ASSERT_EQUAL(VR_OK, obj.GetSelectedOutputValue(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(VR_OK, obj.GetSelectedOutputValue(1, col, &v));
CPPUNIT_ASSERT_EQUAL(TT_LONG, v.type);
CPPUNIT_ASSERT_EQUAL(-99L, v.lVal);
// react
CPPUNIT_ASSERT_EQUAL(VR_OK, obj.GetSelectedOutputValue(2, col, &v));
CPPUNIT_ASSERT_EQUAL(TT_LONG, v.type);
CPPUNIT_ASSERT_EQUAL(1L, v.lVal);
// pH
//
++col;
// i_soln
CPPUNIT_ASSERT_EQUAL(VR_OK, obj.GetSelectedOutputValue(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(VR_OK, obj.GetSelectedOutputValue(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(VR_OK, obj.GetSelectedOutputValue(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(VR_OK, obj.GetSelectedOutputValue(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(VR_OK, obj.GetSelectedOutputValue(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(VR_OK, obj.GetSelectedOutputValue(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(VR_OK, obj.GetSelectedOutputValue(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(VR_OK, obj.GetSelectedOutputValue(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(VR_OK, obj.GetSelectedOutputValue(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(VR_OK, obj.GetSelectedOutputValue(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(VR_OK, obj.GetSelectedOutputValue(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(VR_OK, obj.GetSelectedOutputValue(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(VR_OK, obj.GetSelectedOutputValue(1, col, &v));
CPPUNIT_ASSERT_EQUAL(TT_STRING, v.type);
CPPUNIT_ASSERT_EQUAL( std::string("aq"), std::string(v.sVal));
// react
CPPUNIT_ASSERT_EQUAL(VR_OK, obj.GetSelectedOutputValue(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(VR_OK, obj.GetSelectedOutputValue(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(VR_OK, obj.GetSelectedOutputValue(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(VR_OK, obj.GetSelectedOutputValue(1, col, &v));
CPPUNIT_ASSERT_EQUAL( TT_STRING, v.type );
CPPUNIT_ASSERT_EQUAL( std::string("CaHCO3+"), std::string(v.sVal));
// react
CPPUNIT_ASSERT_EQUAL(VR_OK, obj.GetSelectedOutputValue(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(VR_OK, obj.GetSelectedOutputValue(1, col, &v));
CPPUNIT_ASSERT_EQUAL( TT_STRING, v.type );
CPPUNIT_ASSERT_EQUAL( std::string("aq"), std::string(v.sVal));
// react
CPPUNIT_ASSERT_EQUAL(VR_OK, obj.GetSelectedOutputValue(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(VR_OK, obj.GetSelectedOutputValue(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(VR_OK, obj.GetSelectedOutputValue(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(VR_OK, obj.GetSelectedOutputValue(1, col, &v));
CPPUNIT_ASSERT_EQUAL( TT_STRING, v.type );
CPPUNIT_ASSERT_EQUAL( std::string("CaCO3"), std::string(v.sVal));
// react
CPPUNIT_ASSERT_EQUAL(VR_OK, obj.GetSelectedOutputValue(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(VR_OK, obj.GetSelectedOutputValue(1, col, &v));
CPPUNIT_ASSERT_EQUAL( TT_STRING, v.type );
CPPUNIT_ASSERT_EQUAL( std::string("aq"), std::string(v.sVal));
// react
CPPUNIT_ASSERT_EQUAL(VR_OK, obj.GetSelectedOutputValue(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(VR_OK, obj.GetSelectedOutputValue(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(VR_OK, obj.GetSelectedOutputValue(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(VR_OK, obj.GetSelectedOutputValue(1, col, &v));
CPPUNIT_ASSERT_EQUAL( TT_STRING, v.type );
CPPUNIT_ASSERT_EQUAL( std::string("CaOH+"), std::string(v.sVal));
// react
CPPUNIT_ASSERT_EQUAL(VR_OK, obj.GetSelectedOutputValue(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(VR_OK, obj.GetSelectedOutputValue(1, col, &v));
CPPUNIT_ASSERT_EQUAL( TT_STRING, v.type );
CPPUNIT_ASSERT_EQUAL( std::string("aq"), std::string(v.sVal));
// react
CPPUNIT_ASSERT_EQUAL(VR_OK, obj.GetSelectedOutputValue(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(VR_OK, obj.GetSelectedOutputValue(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(VR_OK, obj.GetSelectedOutputValue(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(VR_OK, obj.GetSelectedOutputValue(1, col, &v));
CPPUNIT_ASSERT_EQUAL( TT_EMPTY, v.type );
// react
CPPUNIT_ASSERT_EQUAL(VR_OK, obj.GetSelectedOutputValue(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(VR_OK, obj.GetSelectedOutputValue(1, col, &v));
CPPUNIT_ASSERT_EQUAL( TT_EMPTY, v.type );
// react
CPPUNIT_ASSERT_EQUAL(VR_OK, obj.GetSelectedOutputValue(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(VR_OK, obj.GetSelectedOutputValue(1, col, &v));
CPPUNIT_ASSERT_EQUAL( TT_EMPTY, v.type );
// react
CPPUNIT_ASSERT_EQUAL(VR_OK, obj.GetSelectedOutputValue(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(VR_OK, obj.GetSelectedOutputValue(1, col, &v));
CPPUNIT_ASSERT_EQUAL( TT_EMPTY, v.type );
// react
CPPUNIT_ASSERT_EQUAL(VR_OK, obj.GetSelectedOutputValue(2, col, &v));
CPPUNIT_ASSERT_EQUAL( TT_EMPTY, v.type );
// 6.type
//
++col;
// i_soln
CPPUNIT_ASSERT_EQUAL(VR_OK, obj.GetSelectedOutputValue(1, col, &v));
CPPUNIT_ASSERT_EQUAL( TT_EMPTY, v.type );
// react
CPPUNIT_ASSERT_EQUAL(VR_OK, obj.GetSelectedOutputValue(2, col, &v));
CPPUNIT_ASSERT_EQUAL( TT_EMPTY, v.type );
// 6.moles
//
++col;
// i_soln
CPPUNIT_ASSERT_EQUAL(VR_OK, obj.GetSelectedOutputValue(1, col, &v));
CPPUNIT_ASSERT_EQUAL( TT_EMPTY, v.type );
// react
CPPUNIT_ASSERT_EQUAL(VR_OK, obj.GetSelectedOutputValue(2, col, &v));
CPPUNIT_ASSERT_EQUAL( TT_EMPTY, v.type );
}
void TestIPhreeqc::TestGetSelectedOutputColumnCount(void)
{
IPhreeqc obj;
CPPUNIT_ASSERT_EQUAL( 0, obj.LoadDatabase("llnl.dat"));
CPPUNIT_ASSERT_EQUAL( 0, obj.GetSelectedOutputColumnCount() );
CPPUNIT_ASSERT_EQUAL( VR_OK, SOLUTION(obj, 1.0, 1.0, 1.0) );
CPPUNIT_ASSERT_EQUAL( VR_OK, EQUILIBRIUM_PHASES(obj, "calcite", 1.0, 1.0) );
CPPUNIT_ASSERT_EQUAL( VR_OK, USER_PUNCH(obj, "Ca", 10) );
CPPUNIT_ASSERT_EQUAL( 0, obj.RunAccumulated() );
CPPUNIT_ASSERT_EQUAL( 62, obj.GetSelectedOutputColumnCount() );
}
void TestIPhreeqc::TestAddError(void)
{
IPhreeqc obj;
CPPUNIT_ASSERT_EQUAL(0, obj.LoadDatabase("phreeqc.dat"));
// make sure initialized to empty
//
const char* err = obj.GetErrorString();
CPPUNIT_ASSERT_EQUAL( std::string(""), std::string(err) );
// make sure initialized to empty
//
const char *expected = "TESTING AddError\n";
CPPUNIT_ASSERT_EQUAL((size_t)1, obj.AddError(expected));
// check 1
//
err = obj.GetErrorString();
CPPUNIT_ASSERT_EQUAL( std::string(expected), std::string(err) );
// check increment
//
const char *expected2 = "XXXXXX\n";
CPPUNIT_ASSERT_EQUAL((size_t)2, obj.AddError(expected2));
// check concatenation
//
err = obj.GetErrorString();
CPPUNIT_ASSERT_EQUAL( std::string(expected) + std::string(expected2), std::string(err) );
// clear errors
//
CPPUNIT_ASSERT_EQUAL(0, obj.LoadDatabase("phreeqc.dat"));
// make sure back to empty
//
err = obj.GetErrorString();
CPPUNIT_ASSERT_EQUAL( std::string(""), std::string(err) );
}
void TestIPhreeqc::TestAccumulateLine(void)
{
// TODO
}
void TestIPhreeqc::TestOutputErrorString(void)
{
// TODO
}
void TestIPhreeqc::TestRunWithCallback(void)
{
// TODO
}
void TestIPhreeqc::TestRunNoDatabaseLoaded(void)
{
IPhreeqc obj;
obj.UnLoadDatabase();
obj.SetOutputFileOn(false);
obj.SetErrorFileOn(false);
obj.SetLogFileOn(false);
obj.SetSelectedOutputFileOn(false);
obj.SetDumpFileOn(false);
CPPUNIT_ASSERT_EQUAL( 1, obj.RunAccumulated() );
const char expected[] =
"ERROR: RunAccumulated: No database is loaded\n";
const char* err = obj.GetErrorString();
CPPUNIT_ASSERT_EQUAL( std::string(expected), std::string(err) );
}
void TestIPhreeqc::TestCase1(void)
{
// Case 1 (see do_run)
// pr.punch == TRUE
// punch.new_def == FALSE
// output_isopen(OUTPUT_PUNCH) == FALSE
// selected_output_on == TRUE
IPhreeqc obj;
// remove punch file if it exists
if (::FileExists("selected.out"))
{
CPPUNIT_ASSERT(::DeleteFile("selected.out"));
}
CPPUNIT_ASSERT_EQUAL( false, ::FileExists("selected.out") );
// clear all flags
CPPUNIT_ASSERT_EQUAL( 0, obj.LoadDatabase("phreeqc.dat") );
CPPUNIT_ASSERT_EQUAL( FALSE, obj.PhreeqcPtr->punch.in);
CPPUNIT_ASSERT_EQUAL( TRUE, obj.PhreeqcPtr->pr.punch);
CPPUNIT_ASSERT_EQUAL( VR_OK, SOLUTION(obj, 1.0, 1.0, 1.0) );
CPPUNIT_ASSERT_EQUAL( VR_OK, USER_PUNCH(obj, "Ca", 10) );
obj.SetOutputFileOn(false);
obj.SetErrorFileOn(false);
obj.SetLogFileOn(false);
obj.SetSelectedOutputFileOn(true);
obj.SetDumpFileOn(false);
CPPUNIT_ASSERT_EQUAL( 0, obj.RunAccumulated() );
CPPUNIT_ASSERT_EQUAL( true, ::FileExists("selected.out") );
CPPUNIT_ASSERT( ::FileSize("selected.out") > 0 );
CPPUNIT_ASSERT_EQUAL( 62, obj.GetSelectedOutputColumnCount() );
CPPUNIT_ASSERT_EQUAL( 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);
CPPUNIT_ASSERT_EQUAL( 0, obj.RunAccumulated() );
CPPUNIT_ASSERT_EQUAL( true, ::FileExists("selected.out") );
CPPUNIT_ASSERT( ::FileSize("selected.out") > 0 );
CPPUNIT_ASSERT_EQUAL( 62, obj.GetSelectedOutputColumnCount() );
}
void TestIPhreeqc::TestCase2(void)
{
// 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
//
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") );
// clear all flags
CPPUNIT_ASSERT_EQUAL( 0, obj.LoadDatabase("phreeqc.dat") );
CPPUNIT_ASSERT_EQUAL( FALSE, obj.PhreeqcPtr->punch.in);
CPPUNIT_ASSERT_EQUAL( TRUE, obj.PhreeqcPtr->pr.punch);
CPPUNIT_ASSERT_EQUAL( VR_OK, SOLUTION(obj, 1.0, 1.0, 1.0) );
CPPUNIT_ASSERT_EQUAL( VR_OK, USER_PUNCH(obj, "Ca", 10) );
CPPUNIT_ASSERT_EQUAL( 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);
CPPUNIT_ASSERT_EQUAL( 0, obj.RunAccumulated() );
CPPUNIT_ASSERT_EQUAL( false, ::FileExists("selected.out") );
CPPUNIT_ASSERT_EQUAL( true, ::FileExists("case2.punch") );
CPPUNIT_ASSERT( ::FileSize("case2.punch") > 0 );
CPPUNIT_ASSERT_EQUAL( 62, obj.GetSelectedOutputColumnCount() );
// remove punch files if they exist
//
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( VR_OK, SOLUTION(obj, 1.0, 1.0, 1.0) );
CPPUNIT_ASSERT_EQUAL( VR_OK, USER_PUNCH(obj, "Ca", 10) );
obj.SetOutputFileOn(false);
obj.SetErrorFileOn(false);
obj.SetLogFileOn(false);
obj.SetSelectedOutputFileOn(true);
obj.SetDumpFileOn(false);
CPPUNIT_ASSERT_EQUAL( 0, obj.RunAccumulated() );
CPPUNIT_ASSERT_EQUAL( false, ::FileExists("selected.out") );
CPPUNIT_ASSERT_EQUAL( true, ::FileExists("case2.punch") );
CPPUNIT_ASSERT( ::FileSize("case2.punch") > 0 );
CPPUNIT_ASSERT_EQUAL( 62, obj.GetSelectedOutputColumnCount() );
if (::FileExists("case2.punch"))
{
::DeleteFile("case2.punch");
}
CPPUNIT_ASSERT_EQUAL( false, ::FileExists("case2.punch") );
}
void TestIPhreeqc::TestPrintSelectedOutputFalse(void)
{
IPhreeqc obj;
// remove punch files if they exists
//
if (::FileExists("selected.out"))
{
::DeleteFile("selected.out");
}
CPPUNIT_ASSERT_EQUAL( false, ::FileExists("selected.out") );
CPPUNIT_ASSERT_EQUAL( 0, obj.LoadDatabase("phreeqc.dat") );
// add solution block
CPPUNIT_ASSERT_EQUAL( VR_OK, SOLUTION(obj, 1.0, 1.0, 1.0) );
// add selected output block
CPPUNIT_ASSERT_EQUAL( VR_OK, SELECTED_OUTPUT(obj) );
// turn off selected output
CPPUNIT_ASSERT_EQUAL( 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);
CPPUNIT_ASSERT_EQUAL( 0, obj.RunAccumulated() );
CPPUNIT_ASSERT_EQUAL( 0, obj.GetSelectedOutputColumnCount() );
CPPUNIT_ASSERT_EQUAL( 0, obj.GetSelectedOutputRowCount() );
// reset pr.punch to TRUE
CPPUNIT_ASSERT_EQUAL( 0, obj.LoadDatabase("phreeqc.dat") );
// add solution block
CPPUNIT_ASSERT_EQUAL( VR_OK, SOLUTION(obj, 1.0, 1.0, 1.0) );
// add selected output block
CPPUNIT_ASSERT_EQUAL( VR_OK, SELECTED_OUTPUT(obj) );
// run
obj.SetOutputFileOn(false);
obj.SetErrorFileOn(false);
obj.SetLogFileOn(false);
obj.SetSelectedOutputFileOn(true);
obj.SetDumpFileOn(false);
CPPUNIT_ASSERT_EQUAL( 0, obj.RunAccumulated() );
CPPUNIT_ASSERT_EQUAL( 11, obj.GetSelectedOutputColumnCount() );
CPPUNIT_ASSERT_EQUAL( 2, obj.GetSelectedOutputRowCount() );
}
void TestIPhreeqc::TestOutputOnOff()
{
#if defined(_WIN32)
int n = ::_fcloseall();
CPPUNIT_ASSERT_EQUAL(0, n);
#endif
bool onoff[5];
onoff[0] = true; // output_on
onoff[1] = false; // error_on
onoff[2] = false; // log_on
onoff[3] = false; // selected_output_on
onoff[4] = false; // dump_on
::TestOnOff("phreeqc.out", onoff[0], onoff[1], onoff[2], onoff[3], onoff[4]);
}
void TestIPhreeqc::TestErrorOnOff()
{
bool onoff[5];
onoff[0] = false; // output_on
onoff[1] = true; // error_on
onoff[2] = false; // log_on
onoff[3] = false; // selected_output_on
onoff[4] = false; // dump_on
::TestOnOff("phreeqc.err", onoff[0], onoff[1], onoff[2], onoff[3], onoff[4]);
}
void TestIPhreeqc::TestLogOnOff()
{
bool onoff[5];
onoff[0] = false; // output_on
onoff[1] = false; // error_on
onoff[2] = true; // log_on
onoff[3] = false; // selected_output_on
onoff[4] = false; // dump_on
::TestOnOff("phreeqc.log", onoff[0], onoff[1], onoff[2], onoff[3], onoff[4]);
}
void TestIPhreeqc::TestDumpOn()
{
bool onoff[5];
onoff[0] = false; // output_on
onoff[1] = false; // error_on
onoff[2] = false; // log_on
onoff[3] = false; // selected_output_on
onoff[4] = true; // dump_on
::TestOnOff("dump.out", onoff[0], onoff[1], onoff[2], onoff[3], onoff[4]);
}
void TestIPhreeqc::TestSelOutOnOff()
{
bool onoff[5];
onoff[0] = false; // output_on
onoff[1] = false; // error_on
onoff[2] = false; // log_on
onoff[3] = true; // selected_output_on
onoff[4] = false; // dump_on
::TestOnOff("selected.out", onoff[0], onoff[1], onoff[2], onoff[3], onoff[4]);
}
void TestOnOff(const char* FILENAME, bool output_on, bool error_on, bool log_on, bool selected_output_on, bool dump_on)
{
IPhreeqc obj;
// remove FILENAME if it exists
//
if (::FileExists(FILENAME))
{
::DeleteFile(FILENAME);
}
CPPUNIT_ASSERT_EQUAL( false, ::FileExists(FILENAME) );
CPPUNIT_ASSERT_EQUAL( 0, obj.LoadDatabase("phreeqc.dat") );
// add solution block
CPPUNIT_ASSERT_EQUAL( VR_OK, SOLUTION(obj, 1.0, 1.0, 1.0) );
// add selected output block
CPPUNIT_ASSERT_EQUAL( VR_OK, SELECTED_OUTPUT(obj) );
// add dump block
CPPUNIT_ASSERT_EQUAL( VR_OK, DUMP(obj) );
// run all off
obj.SetDumpFileOn(false);
obj.SetErrorFileOn(false);
obj.SetLogFileOn(false);
obj.SetOutputFileOn(false);
obj.SetSelectedOutputFileOn(false);
CPPUNIT_ASSERT_EQUAL( 0, obj.RunAccumulated() );
CPPUNIT_ASSERT_EQUAL( false, ::FileExists(FILENAME) );
CPPUNIT_ASSERT_EQUAL( 0, obj.LoadDatabase("phreeqc.dat") );
// add solution block
CPPUNIT_ASSERT_EQUAL( VR_OK, SOLUTION(obj, 1.0, 1.0, 1.0) );
// add selected output block
CPPUNIT_ASSERT_EQUAL( VR_OK, SELECTED_OUTPUT(obj) );
// add dump block
CPPUNIT_ASSERT_EQUAL( VR_OK, DUMP(obj) );
// run
obj.SetDumpFileOn(dump_on);
obj.SetErrorFileOn(error_on);
obj.SetLogFileOn(log_on);
obj.SetOutputFileOn(output_on);
obj.SetSelectedOutputFileOn(selected_output_on);
CPPUNIT_ASSERT_EQUAL( 0, obj.RunAccumulated() );
CPPUNIT_ASSERT_EQUAL( true, ::FileExists(FILENAME) );
CPPUNIT_ASSERT( ::DeleteFile(FILENAME) );
CPPUNIT_ASSERT_EQUAL( 0, obj.LoadDatabase("phreeqc.dat") );
// add solution block
CPPUNIT_ASSERT_EQUAL( VR_OK, SOLUTION(obj, 1.0, 1.0, 1.0) );
// add selected output block
CPPUNIT_ASSERT_EQUAL( VR_OK, SELECTED_OUTPUT(obj) );
// add dump block
CPPUNIT_ASSERT_EQUAL( VR_OK, DUMP(obj) );
// run
obj.SetDumpFileOn(false);
obj.SetErrorFileOn(false);
obj.SetLogFileOn(false);
obj.SetOutputFileOn(false);
obj.SetSelectedOutputFileOn(false);
CPPUNIT_ASSERT_EQUAL( 0, obj.RunAccumulated() );
CPPUNIT_ASSERT_EQUAL( false, ::FileExists(FILENAME) );
CPPUNIT_ASSERT_EQUAL( 0, obj.LoadDatabase("phreeqc.dat") );
// add solution block
CPPUNIT_ASSERT_EQUAL( VR_OK, SOLUTION(obj, 1.0, 1.0, 1.0) );
// add selected output block
CPPUNIT_ASSERT_EQUAL( VR_OK, SELECTED_OUTPUT(obj) );
// add dump block
CPPUNIT_ASSERT_EQUAL( VR_OK, DUMP(obj) );
// run
obj.SetDumpFileOn(dump_on);
obj.SetErrorFileOn(error_on);
obj.SetLogFileOn(log_on);
obj.SetOutputFileOn(output_on);
obj.SetSelectedOutputFileOn(selected_output_on);
CPPUNIT_ASSERT_EQUAL( 0, obj.RunAccumulated() );
CPPUNIT_ASSERT_EQUAL( true, ::FileExists(FILENAME) );
CPPUNIT_ASSERT( ::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 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 obj.AccumulateLine(oss.str().c_str());
}
VRESULT
SELECTED_OUTPUT(IPhreeqc& obj)
{
std::ostringstream oss;
oss << "SELECTED_OUTPUT" << "\n";
oss << "-file selected.out" << "\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());
}
void TestIPhreeqc::TestLongHeadings()
{
char long_header[] = "this_is_a_long_header_0123456789012345678901234567890123456789";
char long_value[] = "this_is_a_long_value_01234567890123456789012345678901234567890";
IPhreeqc obj;
CPPUNIT_ASSERT_EQUAL(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";
CPPUNIT_ASSERT_EQUAL( VR_OK, obj.AccumulateLine(oss.str().c_str()) );
obj.SetOutputFileOn(0);
obj.SetErrorFileOn(0);
obj.SetLogFileOn(0);
obj.SetSelectedOutputFileOn(0);
obj.SetDumpFileOn(0);
CPPUNIT_ASSERT_EQUAL( 0, obj.RunAccumulated() );
CPPUNIT_ASSERT_EQUAL( 2, obj.GetSelectedOutputRowCount());
CPPUNIT_ASSERT_EQUAL( 1, obj.GetSelectedOutputColumnCount());
CVar v;
CPPUNIT_ASSERT_EQUAL( VR_OK, obj.GetSelectedOutputValue(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( VR_OK, obj.GetSelectedOutputValue(1, 0, &v1));
CPPUNIT_ASSERT_EQUAL( TT_STRING, v1.type);
CPPUNIT_ASSERT_EQUAL( std::string(long_value), std::string(v1.sVal));
CPPUNIT_ASSERT_EQUAL( VR_INVALIDCOL, obj.GetSelectedOutputValue(1, 1, &v1));
CPPUNIT_ASSERT_EQUAL( VR_INVALIDROW, obj.GetSelectedOutputValue(2, 0, &v1));
}
void TestIPhreeqc::TestDatabaseKeyword()
{
IPhreeqc obj;
CPPUNIT_ASSERT_EQUAL(0, obj.LoadDatabase("phreeqc.dat"));
obj.SetOutputFileOn(false);
obj.SetErrorFileOn(false);
obj.SetLogFileOn(false);
obj.SetSelectedOutputFileOn(false);
obj.SetDumpFileOn(false);
CPPUNIT_ASSERT_EQUAL(1, obj.RunFile("dump"));
const char *expected =
"ERROR: Gas not found in PHASES data base, Amm(g).\n"
"ERROR: Calculations terminating due to input errors.\n";
const char* err = obj.GetErrorString();
CPPUNIT_ASSERT_EQUAL(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();
CPPUNIT_ASSERT_EQUAL(std::string(exp_warn), std::string(warn));
}
void TestIPhreeqc::TestDumpString()
{
IPhreeqc obj;
CPPUNIT_ASSERT_EQUAL(0, obj.LoadDatabase("phreeqc.dat"));
// add solution block
CPPUNIT_ASSERT_EQUAL( VR_OK, SOLUTION(obj, 1.0, 1.0, 1.0) );
// add dump block
CPPUNIT_ASSERT_EQUAL( VR_OK, DUMP(obj) );
// run
obj.SetOutputFileOn(0);
obj.SetErrorFileOn(0);
obj.SetLogFileOn(0);
obj.SetSelectedOutputFileOn(0);
obj.SetDumpFileOn(0);
obj.SetDumpStringOn(1);
CPPUNIT_ASSERT_EQUAL( 0, obj.RunAccumulated() );
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"
"USE mix none\n"
"USE reaction none\n"
"USE reaction_temperature none\n"
"USE reaction_pressure none\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"
"USE mix none\n"
"USE reaction none\n"
"USE reaction_temperature none\n"
"USE reaction_pressure none\n"
;
#endif
const char* dump_str = obj.GetDumpString();
CPPUNIT_ASSERT_EQUAL(std::string(expected), std::string(dump_str));
}
void TestIPhreeqc::TestGetDumpStringLineCount(void)
{
IPhreeqc obj;
CPPUNIT_ASSERT_EQUAL(0, obj.LoadDatabase("phreeqc.dat"));
// add solution block
CPPUNIT_ASSERT_EQUAL( VR_OK, ::SOLUTION(obj, 1.0, 1.0, 1.0) );
// add dump block
CPPUNIT_ASSERT_EQUAL( VR_OK, ::DUMP(obj) );
// run
CPPUNIT_ASSERT_EQUAL( false, obj.GetOutputFileOn() );
CPPUNIT_ASSERT_EQUAL( false, obj.GetErrorFileOn() );
CPPUNIT_ASSERT_EQUAL( false, obj.GetLogFileOn() );
CPPUNIT_ASSERT_EQUAL( false, obj.GetSelectedOutputFileOn() );
CPPUNIT_ASSERT_EQUAL( false, obj.GetDumpFileOn() );
CPPUNIT_ASSERT_EQUAL( false, obj.GetDumpStringOn() );
obj.SetDumpStringOn(true);
CPPUNIT_ASSERT_EQUAL( true, obj.GetDumpStringOn() );
CPPUNIT_ASSERT_EQUAL( 0, obj.RunAccumulated() );
CPPUNIT_ASSERT_EQUAL( 30, obj.GetDumpStringLineCount() );
}
void TestIPhreeqc::TestGetDumpStringLine(void)
{
IPhreeqc obj;
CPPUNIT_ASSERT_EQUAL(0, obj.LoadDatabase("phreeqc.dat"));
// add solution block
CPPUNIT_ASSERT_EQUAL( VR_OK, ::SOLUTION(obj, 1.0, 1.0, 1.0) );
// add dump block
CPPUNIT_ASSERT_EQUAL( VR_OK, ::DUMP(obj) );
// run
CPPUNIT_ASSERT_EQUAL( false, obj.GetOutputFileOn() );
CPPUNIT_ASSERT_EQUAL( false, obj.GetErrorFileOn() );
CPPUNIT_ASSERT_EQUAL( false, obj.GetLogFileOn() );
CPPUNIT_ASSERT_EQUAL( false, obj.GetSelectedOutputFileOn() );
CPPUNIT_ASSERT_EQUAL( false, obj.GetDumpFileOn() );
CPPUNIT_ASSERT_EQUAL( false, obj.GetDumpStringOn() );
obj.SetDumpStringOn(true);
CPPUNIT_ASSERT_EQUAL( true, obj.GetDumpStringOn() );
CPPUNIT_ASSERT_EQUAL( 0, obj.RunAccumulated() );
CPPUNIT_ASSERT_EQUAL( 30, obj.GetDumpStringLineCount() );
int line = 0;
#if defined(_MSC_VER)
CPPUNIT_ASSERT_EQUAL( std::string("SOLUTION_RAW 1 "), std::string(obj.GetDumpStringLine(line++)) );
CPPUNIT_ASSERT_EQUAL( std::string(" -temp 25"), std::string(obj.GetDumpStringLine(line++)) );
CPPUNIT_ASSERT_EQUAL( std::string(" -total_h 111.0132593403"), std::string(obj.GetDumpStringLine(line++)) );
CPPUNIT_ASSERT_EQUAL( std::string(" -total_o 55.509043478605"), std::string(obj.GetDumpStringLine(line++)) );
CPPUNIT_ASSERT_EQUAL( std::string(" -cb 0.0021723831003929"), std::string(obj.GetDumpStringLine(line++)) );
CPPUNIT_ASSERT_EQUAL( std::string(" -totals"), std::string(obj.GetDumpStringLine(line++)) );
CPPUNIT_ASSERT_EQUAL( std::string(" C(4) 0.0010000000000376"), std::string(obj.GetDumpStringLine(line++)) );
CPPUNIT_ASSERT_EQUAL( std::string(" Ca 0.001000000004331"), std::string(obj.GetDumpStringLine(line++)) );
CPPUNIT_ASSERT_EQUAL( std::string(" H(0) 1.4149476909313e-025"), std::string(obj.GetDumpStringLine(line++)) );
CPPUNIT_ASSERT_EQUAL( std::string(" Na 0.001"), std::string(obj.GetDumpStringLine(line++)) );
CPPUNIT_ASSERT_EQUAL( std::string(" -Isotopes"), std::string(obj.GetDumpStringLine(line++)) );
CPPUNIT_ASSERT_EQUAL( std::string(" -pH 7"), std::string(obj.GetDumpStringLine(line++)) );
CPPUNIT_ASSERT_EQUAL( std::string(" -pe 4"), std::string(obj.GetDumpStringLine(line++)) );
CPPUNIT_ASSERT_EQUAL( std::string(" -mu 0.0028961089894362"), std::string(obj.GetDumpStringLine(line++)) );
CPPUNIT_ASSERT_EQUAL( std::string(" -ah2o 0.99994915105857"), std::string(obj.GetDumpStringLine(line++)) );
CPPUNIT_ASSERT_EQUAL( std::string(" -mass_water 1"), std::string(obj.GetDumpStringLine(line++)) );
CPPUNIT_ASSERT_EQUAL( std::string(" -total_alkalinity 0.00082761690826911"), std::string(obj.GetDumpStringLine(line++)) );
CPPUNIT_ASSERT_EQUAL( std::string(" -activities"), std::string(obj.GetDumpStringLine(line++)) );
CPPUNIT_ASSERT_EQUAL( std::string(" C(-4) -67.370522674574"), std::string(obj.GetDumpStringLine(line++)) );
CPPUNIT_ASSERT_EQUAL( std::string(" C(4) -6.4415889265024"), std::string(obj.GetDumpStringLine(line++)) );
CPPUNIT_ASSERT_EQUAL( std::string(" Ca -3.1040445240857"), std::string(obj.GetDumpStringLine(line++)) );
CPPUNIT_ASSERT_EQUAL( std::string(" E -4"), std::string(obj.GetDumpStringLine(line++)) );
CPPUNIT_ASSERT_EQUAL( std::string(" H(0) -25.15"), std::string(obj.GetDumpStringLine(line++)) );
CPPUNIT_ASSERT_EQUAL( std::string(" Na -3.0255625287599"), std::string(obj.GetDumpStringLine(line++)) );
CPPUNIT_ASSERT_EQUAL( std::string(" O(0) -42.080044167952"), std::string(obj.GetDumpStringLine(line++)) );
CPPUNIT_ASSERT_EQUAL( std::string(" -gammas"), std::string(obj.GetDumpStringLine(line++)) );
CPPUNIT_ASSERT_EQUAL( std::string("USE mix none"), std::string(obj.GetDumpStringLine(line++)) );
CPPUNIT_ASSERT_EQUAL( std::string("USE reaction none"), std::string(obj.GetDumpStringLine(line++)) );
CPPUNIT_ASSERT_EQUAL( std::string("USE reaction_temperature none"), std::string(obj.GetDumpStringLine(line++)) );
CPPUNIT_ASSERT_EQUAL( std::string("USE reaction_pressure none"), std::string(obj.GetDumpStringLine(line++)) );
#endif
#if defined(__GNUC__)
CPPUNIT_ASSERT_EQUAL( std::string("SOLUTION_RAW 1 "), std::string(obj.GetDumpStringLine(line++)) );
CPPUNIT_ASSERT_EQUAL( std::string(" -temp 25"), std::string(obj.GetDumpStringLine(line++)) );
CPPUNIT_ASSERT_EQUAL( std::string(" -total_h 111.0132593403"), std::string(obj.GetDumpStringLine(line++)) );
CPPUNIT_ASSERT_EQUAL( std::string(" -total_o 55.509043478605"), std::string(obj.GetDumpStringLine(line++)) );
CPPUNIT_ASSERT_EQUAL( std::string(" -cb 0.0021723831003928"), std::string(obj.GetDumpStringLine(line++)) );
CPPUNIT_ASSERT_EQUAL( std::string(" -totals"), std::string(obj.GetDumpStringLine(line++)) );
CPPUNIT_ASSERT_EQUAL( std::string(" C(4) 0.0010000000000376"), std::string(obj.GetDumpStringLine(line++)) );
CPPUNIT_ASSERT_EQUAL( std::string(" Ca 0.001000000004331"), std::string(obj.GetDumpStringLine(line++)) );
CPPUNIT_ASSERT_EQUAL( std::string(" H(0) 1.4149476909313e-25"), std::string(obj.GetDumpStringLine(line++)) );
CPPUNIT_ASSERT_EQUAL( std::string(" Na 0.001"), std::string(obj.GetDumpStringLine(line++)) );
CPPUNIT_ASSERT_EQUAL( std::string(" -Isotopes"), std::string(obj.GetDumpStringLine(line++)) );
CPPUNIT_ASSERT_EQUAL( std::string(" -pH 7"), std::string(obj.GetDumpStringLine(line++)) );
CPPUNIT_ASSERT_EQUAL( std::string(" -pe 4"), std::string(obj.GetDumpStringLine(line++)) );
CPPUNIT_ASSERT_EQUAL( std::string(" -mu 0.0028961089894362"), std::string(obj.GetDumpStringLine(line++)) );
CPPUNIT_ASSERT_EQUAL( std::string(" -ah2o 0.99994915105857"), std::string(obj.GetDumpStringLine(line++)) );
CPPUNIT_ASSERT_EQUAL( std::string(" -mass_water 1"), std::string(obj.GetDumpStringLine(line++)) );
CPPUNIT_ASSERT_EQUAL( std::string(" -total_alkalinity 0.00082761690826912"), std::string(obj.GetDumpStringLine(line++)) );
CPPUNIT_ASSERT_EQUAL( std::string(" -activities"), std::string(obj.GetDumpStringLine(line++)) );
CPPUNIT_ASSERT_EQUAL( std::string(" C(-4) -67.370522674574"), std::string(obj.GetDumpStringLine(line++)) );
CPPUNIT_ASSERT_EQUAL( std::string(" C(4) -6.4415889265024"), std::string(obj.GetDumpStringLine(line++)) );
CPPUNIT_ASSERT_EQUAL( std::string(" Ca -3.1040445240857"), std::string(obj.GetDumpStringLine(line++)) );
CPPUNIT_ASSERT_EQUAL( std::string(" E -4"), std::string(obj.GetDumpStringLine(line++)) );
CPPUNIT_ASSERT_EQUAL( std::string(" H(0) -25.15"), std::string(obj.GetDumpStringLine(line++)) );
CPPUNIT_ASSERT_EQUAL( std::string(" Na -3.0255625287599"), std::string(obj.GetDumpStringLine(line++)) );
CPPUNIT_ASSERT_EQUAL( std::string(" O(0) -42.080044167952"), std::string(obj.GetDumpStringLine(line++)) );
CPPUNIT_ASSERT_EQUAL( std::string(" -gammas"), std::string(obj.GetDumpStringLine(line++)) );
CPPUNIT_ASSERT_EQUAL( std::string("USE mix none"), std::string(obj.GetDumpStringLine(line++)) );
CPPUNIT_ASSERT_EQUAL( std::string("USE reaction none"), std::string(obj.GetDumpStringLine(line++)) );
CPPUNIT_ASSERT_EQUAL( std::string("USE reaction_temperature none"), std::string(obj.GetDumpStringLine(line++)) );
CPPUNIT_ASSERT_EQUAL( std::string("USE reaction_pressure none"), std::string(obj.GetDumpStringLine(line++)) );
#endif
// remaining lines should be empty
CPPUNIT_ASSERT_EQUAL( std::string(""), std::string(obj.GetDumpStringLine(line++)) );
CPPUNIT_ASSERT_EQUAL( std::string(""), std::string(obj.GetDumpStringLine(line++)) );
CPPUNIT_ASSERT_EQUAL( std::string(""), std::string(obj.GetDumpStringLine(line++)) );
CPPUNIT_ASSERT_EQUAL( std::string(""), std::string(obj.GetDumpStringLine(line++)) );
// negative lines should be empty
CPPUNIT_ASSERT_EQUAL( std::string(""), std::string(obj.GetDumpStringLine(-1)) );
CPPUNIT_ASSERT_EQUAL( std::string(""), std::string(obj.GetDumpStringLine(-2)) );
CPPUNIT_ASSERT_EQUAL( std::string(""), std::string(obj.GetDumpStringLine(-3)) );
CPPUNIT_ASSERT_EQUAL( std::string(""), std::string(obj.GetDumpStringLine(-4)) );
}
void TestIPhreeqc::TestGetComponentCount(void)
{
IPhreeqc obj;
CPPUNIT_ASSERT_EQUAL( 0, obj.LoadDatabase("phreeqc.dat") );
// add solution block
CPPUNIT_ASSERT_EQUAL( VR_OK, ::SOLUTION(obj, 1.0, 1.0, 1.0) );
// run
CPPUNIT_ASSERT_EQUAL( false, obj.GetOutputFileOn() );
CPPUNIT_ASSERT_EQUAL( false, obj.GetErrorFileOn() );
CPPUNIT_ASSERT_EQUAL( false, obj.GetLogFileOn() );
CPPUNIT_ASSERT_EQUAL( false, obj.GetSelectedOutputFileOn() );
CPPUNIT_ASSERT_EQUAL( false, obj.GetDumpFileOn() );
CPPUNIT_ASSERT_EQUAL( false, obj.GetDumpStringOn() );
CPPUNIT_ASSERT_EQUAL( 0, obj.RunAccumulated() );
CPPUNIT_ASSERT_EQUAL( (size_t)3, obj.GetComponentCount() );
}
void TestIPhreeqc::TestGetComponent(void)
{
IPhreeqc obj;
CPPUNIT_ASSERT_EQUAL( 0, obj.LoadDatabase("phreeqc.dat") );
// add solution block
CPPUNIT_ASSERT_EQUAL( VR_OK, ::SOLUTION(obj, 1.0, 1.0, 1.0) );
// run
CPPUNIT_ASSERT_EQUAL( false, obj.GetOutputFileOn() );
CPPUNIT_ASSERT_EQUAL( false, obj.GetErrorFileOn() );
CPPUNIT_ASSERT_EQUAL( false, obj.GetLogFileOn() );
CPPUNIT_ASSERT_EQUAL( false, obj.GetSelectedOutputFileOn() );
CPPUNIT_ASSERT_EQUAL( false, obj.GetDumpFileOn() );
CPPUNIT_ASSERT_EQUAL( false, obj.GetDumpStringOn() );
CPPUNIT_ASSERT_EQUAL( 0, obj.RunAccumulated() );
CPPUNIT_ASSERT_EQUAL( (size_t)3, obj.GetComponentCount() );
CPPUNIT_ASSERT_EQUAL( std::string(""), std::string(obj.GetComponent(-2)) );
CPPUNIT_ASSERT_EQUAL( std::string(""), std::string(obj.GetComponent(-1)) );
CPPUNIT_ASSERT_EQUAL( std::string("C"), std::string(obj.GetComponent(0)) );
CPPUNIT_ASSERT_EQUAL( std::string("Ca"), std::string(obj.GetComponent(1)) );
CPPUNIT_ASSERT_EQUAL( std::string("Na"), std::string(obj.GetComponent(2)) );
CPPUNIT_ASSERT_EQUAL( std::string(""), std::string(obj.GetComponent(3)) );
CPPUNIT_ASSERT_EQUAL( std::string(""), std::string(obj.GetComponent(4)) );
CPPUNIT_ASSERT_EQUAL( std::string(""), std::string(obj.GetComponent(5)) );
}
void TestIPhreeqc::TestListComponents(void)
{
IPhreeqc obj;
CPPUNIT_ASSERT_EQUAL( 0, obj.LoadDatabase("phreeqc.dat") );
// add solution block
CPPUNIT_ASSERT_EQUAL( VR_OK, ::SOLUTION(obj, 1.0, 1.0, 1.0) );
// run
CPPUNIT_ASSERT_EQUAL( false, obj.GetOutputFileOn() );
CPPUNIT_ASSERT_EQUAL( false, obj.GetErrorFileOn() );
CPPUNIT_ASSERT_EQUAL( false, obj.GetLogFileOn() );
CPPUNIT_ASSERT_EQUAL( false, obj.GetSelectedOutputFileOn() );
CPPUNIT_ASSERT_EQUAL( false, obj.GetDumpFileOn() );
CPPUNIT_ASSERT_EQUAL( false, obj.GetDumpStringOn() );
CPPUNIT_ASSERT_EQUAL( 0, obj.RunAccumulated() );
std::list< std::string > comps = obj.ListComponents();
CPPUNIT_ASSERT_EQUAL( (size_t)3, comps.size() );
std::list< std::string >::iterator it = comps.begin();
CPPUNIT_ASSERT_EQUAL( std::string("C"), std::string((*it++)) );
CPPUNIT_ASSERT_EQUAL( std::string("Ca"), std::string((*it++)) );
CPPUNIT_ASSERT_EQUAL( std::string("Na"), std::string((*it++)) );
}
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