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iphreeqc/unit/TestIPhreeqc.cpp
Scott R Charlton 459fd958e9 changes req'd for multi_punch 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/branches/multi_punch@7967 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2013-08-27 05:07:46 +00:00

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#include "TestIPhreeqc.h"
#include <cmath>
#include <cfloat>
#include <cassert>
#include "IPhreeqc.hpp"
#include "Phreeqc.h"
#include "FileTest.h"
#undef true
#undef false
#include "CVar.hxx"
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);
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));
}
CPPUNIT_ASSERT_EQUAL( false, ::FileExists(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;
char OUTPUT_FILE[80];
sprintf(OUTPUT_FILE, "phreeqc.%lu.out", (unsigned long)obj.Index);
if (::FileExists(OUTPUT_FILE))
{
CPPUNIT_ASSERT(::DeleteFile(OUTPUT_FILE));
}
CPPUNIT_ASSERT_EQUAL(false, ::FileExists(OUTPUT_FILE));
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(OUTPUT_FILE));
CPPUNIT_ASSERT_EQUAL(0, obj.RunString(input));
CPPUNIT_ASSERT_EQUAL(true, ::FileExists(OUTPUT_FILE));
CPPUNIT_ASSERT(::FileSize(OUTPUT_FILE) > 0);
if (::FileExists(OUTPUT_FILE))
{
CPPUNIT_ASSERT(::DeleteFile(OUTPUT_FILE));
}
}
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);
// COMMENT: {8/8/2013 12:26:01 AM} CPPUNIT_ASSERT_DOUBLES_EQUAL( 9.90855, 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;
char SELECTED_OUT[80];
sprintf(SELECTED_OUT, "selected_1.%lu.out", (unsigned long)obj.Index);
// 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->SelectedOutput_map.size() > 0);
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"))
{
CPPUNIT_ASSERT(::DeleteFile("selected.out"));
}
if (::FileExists("case2.punch"))
{
CPPUNIT_ASSERT(::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->SelectedOutput_map.size() > 0);
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"))
{
CPPUNIT_ASSERT(::DeleteFile("selected.out"));
}
if (::FileExists("case2.punch"))
{
CPPUNIT_ASSERT(::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"))
{
CPPUNIT_ASSERT(::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::TestOutputFileOnOff()
{
#if defined(_WIN32)
int n = ::_fcloseall();
CPPUNIT_ASSERT_EQUAL(0, n);
#endif
bool onoff[5];
onoff[0] = true; // output_file_on
onoff[1] = false; // error_file_on
onoff[2] = false; // log_file_on
onoff[3] = false; // selected_output_file_on
onoff[4] = false; // dump_file_on
TestFileOnOff("phreeqc.%d.out", onoff[0], onoff[1], onoff[2], onoff[3], onoff[4]);
}
void TestIPhreeqc::TestErrorFileOnOff()
{
bool onoff[5];
onoff[0] = false; // output_file_on
onoff[1] = true; // error_file_on
onoff[2] = false; // log_file_on
onoff[3] = false; // selected_output_file_on
onoff[4] = false; // dump_file_on
TestFileOnOff("phreeqc.%d.err", onoff[0], onoff[1], onoff[2], onoff[3], onoff[4]);
}
void TestIPhreeqc::TestLogFileOnOff()
{
bool onoff[5];
onoff[0] = false; // output_file_on
onoff[1] = false; // error_file_on
onoff[2] = true; // log_file_on
onoff[3] = false; // selected_output_file_on
onoff[4] = false; // dump_file_on
TestFileOnOff("phreeqc.%d.log", onoff[0], onoff[1], onoff[2], onoff[3], onoff[4]);
}
void TestIPhreeqc::TestDumpFileOnOff()
{
bool onoff[5];
onoff[0] = false; // output_file_on
onoff[1] = false; // error_file_on
onoff[2] = false; // log_file_on
onoff[3] = false; // selected_output_file_on
onoff[4] = true; // dump_file_on
TestFileOnOff("dump.%d.out", onoff[0], onoff[1], onoff[2], onoff[3], onoff[4]);
}
void TestIPhreeqc::TestSelOutFileOnOff()
{
bool onoff[5];
onoff[0] = false; // output_file_on
onoff[1] = false; // error_file_on
onoff[2] = false; // log_file_on
onoff[3] = true; // selected_output_file_on
onoff[4] = false; // dump_file_on
TestFileOnOff("selected_1.%d.out", onoff[0], onoff[1], onoff[2], onoff[3], onoff[4]);
}
void TestIPhreeqc::TestFileOnOff(const char* FILENAME_FORMAT, bool output_file_on, bool error_file_on, bool log_file_on, bool selected_output_file_on, bool dump_file_on)
{
IPhreeqc obj;
char FILENAME[80];
sprintf(FILENAME, FILENAME_FORMAT, obj.GetId());
// 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_file_on);
obj.SetErrorFileOn(error_file_on);
obj.SetLogFileOn(log_file_on);
obj.SetOutputFileOn(output_file_on);
obj.SetSelectedOutputFileOn(selected_output_file_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_file_on);
obj.SetErrorFileOn(error_file_on);
obj.SetLogFileOn(log_file_on);
obj.SetOutputFileOn(output_file_on);
obj.SetSelectedOutputFileOn(selected_output_file_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
USER_PUNCH_NEH(IPhreeqc& obj)
{
std::ostringstream oss;
oss << "USER_PUNCH\n";
oss << "-head head0 head1 head2\n";
oss << "-start" << "\n";
oss << "10 PUNCH \"have0\", \"have1\", \"have2\"" << "\n";
oss << "20 PUNCH \"missing0\", \"missing1\", \"missing2\"" << "\n";
oss << "-end" << "\n";
oss << "SELECTED_OUTPUT" << "\n";
oss << "-totals C Ca Na" << "\n";
oss << "-molalities CO3-2 CaOH+ NaCO3-" << "\n";
oss << "-activities CO3-2 CaOH+ NaCO3-" << "\n";
oss << "-equilibrium_phases Calcite" << "\n";
oss << "-saturation_indices CO2(g) Siderite" << "\n";
oss << "-gases CO2(g) N2(g)" << "\n";
oss << "-kinetic_reactants Albite Pyrite" << "\n";
oss << "-solid_solutions CaSO4 SrSO4" << "\n";
return obj.AccumulateLine(oss.str().c_str());
}
VRESULT
SELECTED_OUTPUT(IPhreeqc& obj)
{
std::ostringstream oss;
oss << "SELECTED_OUTPUT" << "\n";
oss << "-totals C Ca Na" << "\n";
return obj.AccumulateLine(oss.str().c_str());
}
VRESULT
DUMP(IPhreeqc& obj)
{
std::ostringstream oss;
oss << "DUMP" << "\n";
oss << "-solution 1" << "\n";
return obj.AccumulateLine(oss.str().c_str());
}
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 database, 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* dump_str = obj.GetDumpString();
CPPUNIT_ASSERT(::strstr(dump_str, "SOLUTION_RAW") != NULL);
CPPUNIT_ASSERT(::strstr(dump_str, "-temp") != NULL);
CPPUNIT_ASSERT(::strstr(dump_str, "-total_h") != NULL);
CPPUNIT_ASSERT(::strstr(dump_str, "-total_o") != NULL);
CPPUNIT_ASSERT(::strstr(dump_str, "-cb") != NULL);
CPPUNIT_ASSERT(::strstr(dump_str, "-totals") != NULL);
CPPUNIT_ASSERT(::strstr(dump_str, " C(4) ") != NULL);
CPPUNIT_ASSERT(::strstr(dump_str, " Ca ") != NULL);
CPPUNIT_ASSERT(::strstr(dump_str, " H(0) ") != NULL);
CPPUNIT_ASSERT(::strstr(dump_str, " Na ") != NULL);
CPPUNIT_ASSERT(::strstr(dump_str, "-pH") != NULL);
CPPUNIT_ASSERT(::strstr(dump_str, "-pe") != NULL);
CPPUNIT_ASSERT(::strstr(dump_str, "-mu") != NULL);
CPPUNIT_ASSERT(::strstr(dump_str, "-ah2o") != NULL);
CPPUNIT_ASSERT(::strstr(dump_str, "-mass_water") != NULL);
CPPUNIT_ASSERT(::strstr(dump_str, "-total_alkalinity") != NULL);
CPPUNIT_ASSERT(::strstr(dump_str, "-activities") != NULL);
CPPUNIT_ASSERT(::strstr(dump_str, " C(-4) ") != NULL);
CPPUNIT_ASSERT(::strstr(dump_str, " C(4) ") != NULL);
CPPUNIT_ASSERT(::strstr(dump_str, " Ca ") != NULL);
CPPUNIT_ASSERT(::strstr(dump_str, " E ") != NULL);
CPPUNIT_ASSERT(::strstr(dump_str, " H(0) ") != NULL);
CPPUNIT_ASSERT(::strstr(dump_str, " Na ") != NULL);
CPPUNIT_ASSERT(::strstr(dump_str, " O(0) ") != NULL);
CPPUNIT_ASSERT(::strstr(dump_str, "-gammas") != NULL);
CPPUNIT_ASSERT(::strstr(dump_str, "USE mix none") != NULL);
CPPUNIT_ASSERT(::strstr(dump_str, "USE reaction none") != NULL);
CPPUNIT_ASSERT(::strstr(dump_str, "USE reaction_temperature none") != NULL);
CPPUNIT_ASSERT(::strstr(dump_str, "USE reaction_pressure none") != NULL);
}
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;
CPPUNIT_ASSERT(::strstr(obj.GetDumpStringLine(line++), "SOLUTION_RAW") != NULL);
CPPUNIT_ASSERT(::strstr(obj.GetDumpStringLine(line++), "-temp") != NULL);
// COMMENT: {8/8/2013 12:36:46 AM} CPPUNIT_ASSERT(::strstr(obj.GetDumpStringLine(line++), "-pressure") != NULL);
CPPUNIT_ASSERT(::strstr(obj.GetDumpStringLine(line++), "-total_h") != NULL);
CPPUNIT_ASSERT(::strstr(obj.GetDumpStringLine(line++), "-total_o") != NULL);
CPPUNIT_ASSERT(::strstr(obj.GetDumpStringLine(line++), "-cb") != NULL);
CPPUNIT_ASSERT(::strstr(obj.GetDumpStringLine(line++), "-density") != NULL);
CPPUNIT_ASSERT(::strstr(obj.GetDumpStringLine(line++), "-totals") != NULL);
CPPUNIT_ASSERT(::strstr(obj.GetDumpStringLine(line++), " C(4) ") != NULL);
CPPUNIT_ASSERT(::strstr(obj.GetDumpStringLine(line++), " Ca ") != NULL);
CPPUNIT_ASSERT(::strstr(obj.GetDumpStringLine(line++), " H(0) ") != NULL);
CPPUNIT_ASSERT(::strstr(obj.GetDumpStringLine(line++), " Na ") != NULL);
CPPUNIT_ASSERT(::strstr(obj.GetDumpStringLine(line++), "-pH") != NULL);
CPPUNIT_ASSERT(::strstr(obj.GetDumpStringLine(line++), "-pe") != NULL);
CPPUNIT_ASSERT(::strstr(obj.GetDumpStringLine(line++), "-mu") != NULL);
CPPUNIT_ASSERT(::strstr(obj.GetDumpStringLine(line++), "-ah2o") != NULL);
CPPUNIT_ASSERT(::strstr(obj.GetDumpStringLine(line++), "-mass_water") != NULL);
CPPUNIT_ASSERT(::strstr(obj.GetDumpStringLine(line++), "-total_alkalinity") != NULL);
CPPUNIT_ASSERT(::strstr(obj.GetDumpStringLine(line++), "-activities") != NULL);
CPPUNIT_ASSERT(::strstr(obj.GetDumpStringLine(line++), " C(-4) ") != NULL);
CPPUNIT_ASSERT(::strstr(obj.GetDumpStringLine(line++), " C(4) ") != NULL);
CPPUNIT_ASSERT(::strstr(obj.GetDumpStringLine(line++), " Ca ") != NULL);
CPPUNIT_ASSERT(::strstr(obj.GetDumpStringLine(line++), " E ") != NULL);
CPPUNIT_ASSERT(::strstr(obj.GetDumpStringLine(line++), " H(0) ") != NULL);
CPPUNIT_ASSERT(::strstr(obj.GetDumpStringLine(line++), " Na ") != NULL);
CPPUNIT_ASSERT(::strstr(obj.GetDumpStringLine(line++), " O(0) ") != NULL);
CPPUNIT_ASSERT(::strstr(obj.GetDumpStringLine(line++), "-gammas") != NULL);
CPPUNIT_ASSERT(::strstr(obj.GetDumpStringLine(line++), "USE mix none") != NULL);
CPPUNIT_ASSERT(::strstr(obj.GetDumpStringLine(line++), "USE reaction none") != NULL);
CPPUNIT_ASSERT(::strstr(obj.GetDumpStringLine(line++), "USE reaction_temperature none") != NULL);
CPPUNIT_ASSERT(::strstr(obj.GetDumpStringLine(line++), "USE reaction_pressure none") != NULL);
// 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++)) );
}
void TestIPhreeqc::TestSetDumpFileName(void)
{
char DUMP_FILENAME[80];
sprintf(DUMP_FILENAME, "dump.%06d.out", ::rand());
if (::FileExists(DUMP_FILENAME))
{
::DeleteFile(DUMP_FILENAME);
}
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(false);
obj.SetErrorFileOn(false);
obj.SetLogFileOn(false);
obj.SetSelectedOutputFileOn(false);
obj.SetDumpStringOn(false);
obj.SetDumpFileOn(true);
obj.SetDumpFileName(DUMP_FILENAME);
CPPUNIT_ASSERT_EQUAL( 0, obj.RunAccumulated() );
CPPUNIT_ASSERT_EQUAL( true, ::FileExists(DUMP_FILENAME) );
std::string lines[32];
std::ifstream ifs(DUMP_FILENAME);
size_t i = 0;
while (i < sizeof(lines)/sizeof(lines[0]) && std::getline(ifs, lines[i]))
{
++i;
}
int line = 0;
CPPUNIT_ASSERT(::strstr(lines[line++].c_str(), "SOLUTION_RAW") != NULL);
CPPUNIT_ASSERT(::strstr(lines[line++].c_str(), "-temp") != NULL);
// COMMENT: {8/8/2013 12:35:17 AM} CPPUNIT_ASSERT(::strstr(lines[line++].c_str(), "-pressure") != NULL);
CPPUNIT_ASSERT(::strstr(lines[line++].c_str(), "-total_h") != NULL);
CPPUNIT_ASSERT(::strstr(lines[line++].c_str(), "-total_o") != NULL);
CPPUNIT_ASSERT(::strstr(lines[line++].c_str(), "-cb") != NULL);
CPPUNIT_ASSERT(::strstr(lines[line++].c_str(), "-density") != NULL);
CPPUNIT_ASSERT(::strstr(lines[line++].c_str(), "-totals") != NULL);
CPPUNIT_ASSERT(::strstr(lines[line++].c_str(), " C(4) ") != NULL);
CPPUNIT_ASSERT(::strstr(lines[line++].c_str(), " Ca ") != NULL);
CPPUNIT_ASSERT(::strstr(lines[line++].c_str(), " H(0) ") != NULL);
CPPUNIT_ASSERT(::strstr(lines[line++].c_str(), " Na ") != NULL);
CPPUNIT_ASSERT(::strstr(lines[line++].c_str(), "-pH") != NULL);
CPPUNIT_ASSERT(::strstr(lines[line++].c_str(), "-pe") != NULL);
CPPUNIT_ASSERT(::strstr(lines[line++].c_str(), "-mu") != NULL);
CPPUNIT_ASSERT(::strstr(lines[line++].c_str(), "-ah2o") != NULL);
CPPUNIT_ASSERT(::strstr(lines[line++].c_str(), "-mass_water") != NULL);
CPPUNIT_ASSERT(::strstr(lines[line++].c_str(), "-total_alkalinity") != NULL);
CPPUNIT_ASSERT(::strstr(lines[line++].c_str(), "-activities") != NULL);
CPPUNIT_ASSERT(::strstr(lines[line++].c_str(), " C(-4) ") != NULL);
CPPUNIT_ASSERT(::strstr(lines[line++].c_str(), " C(4) ") != NULL);
CPPUNIT_ASSERT(::strstr(lines[line++].c_str(), " Ca ") != NULL);
CPPUNIT_ASSERT(::strstr(lines[line++].c_str(), " E ") != NULL);
CPPUNIT_ASSERT(::strstr(lines[line++].c_str(), " H(0) ") != NULL);
CPPUNIT_ASSERT(::strstr(lines[line++].c_str(), " Na ") != NULL);
CPPUNIT_ASSERT(::strstr(lines[line++].c_str(), " O(0) ") != NULL);
CPPUNIT_ASSERT(::strstr(lines[line++].c_str(), "-gammas") != NULL);
CPPUNIT_ASSERT(::strstr(lines[line++].c_str(), "USE mix none") != NULL);
CPPUNIT_ASSERT(::strstr(lines[line++].c_str(), "USE reaction none") != NULL);
CPPUNIT_ASSERT(::strstr(lines[line++].c_str(), "USE reaction_temperature none") != NULL);
CPPUNIT_ASSERT(::strstr(lines[line++].c_str(), "USE reaction_pressure none") != NULL);
if (::FileExists(DUMP_FILENAME))
{
::DeleteFile(DUMP_FILENAME);
}
}
void TestIPhreeqc::TestSetOutputFileName(void)
{
char OUTPUT_FILENAME[80];
sprintf(OUTPUT_FILENAME, "output.%06d.out", ::rand());
if (::FileExists(OUTPUT_FILENAME))
{
::DeleteFile(OUTPUT_FILENAME);
}
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(true);
obj.SetErrorFileOn(false);
obj.SetLogFileOn(false);
obj.SetSelectedOutputFileOn(false);
obj.SetDumpStringOn(false);
obj.SetDumpFileOn(false);
obj.SetOutputFileName(OUTPUT_FILENAME);
CPPUNIT_ASSERT_EQUAL( 0, obj.RunAccumulated() );
CPPUNIT_ASSERT_EQUAL( true, ::FileExists(OUTPUT_FILENAME) );
std::string lines[101];
std::ifstream ifs(OUTPUT_FILENAME);
size_t i = 0;
while (i < sizeof(lines)/sizeof(lines[0]) && std::getline(ifs, lines[i]))
{
++i;
}
CPPUNIT_ASSERT_EQUAL( (size_t)98, i );
int line = 0;
CPPUNIT_ASSERT( ::strstr(lines[line++].c_str(), "------------------------------------") != NULL );
CPPUNIT_ASSERT( ::strstr(lines[line++].c_str(), "Reading input data for simulation 1.") != NULL );
CPPUNIT_ASSERT( ::strstr(lines[line++].c_str(), "------------------------------------") != NULL );
CPPUNIT_ASSERT( ::strstr(lines[line++].c_str(), "") != NULL );
CPPUNIT_ASSERT( ::strstr(lines[line++].c_str(), " SOLUTION 1") != NULL );
CPPUNIT_ASSERT( ::strstr(lines[line++].c_str(), " C 1") != NULL );
CPPUNIT_ASSERT( ::strstr(lines[line++].c_str(), " Ca 1") != NULL );
CPPUNIT_ASSERT( ::strstr(lines[line++].c_str(), " Na 1") != NULL );
CPPUNIT_ASSERT( ::strstr(lines[line++].c_str(), " DUMP") != NULL );
CPPUNIT_ASSERT( ::strstr(lines[line++].c_str(), " -solution 1") != NULL );
CPPUNIT_ASSERT( ::strstr(lines[line++].c_str(), "-------------------------------------------") != NULL );
CPPUNIT_ASSERT( ::strstr(lines[line++].c_str(), "Beginning of initial solution calculations.") != NULL );
CPPUNIT_ASSERT( ::strstr(lines[line++].c_str(), "-------------------------------------------") != NULL );
CPPUNIT_ASSERT( ::strstr(lines[line++].c_str(), "") != NULL );
CPPUNIT_ASSERT( ::strstr(lines[line++].c_str(), "Initial solution 1. ") != NULL );
CPPUNIT_ASSERT( ::strstr(lines[line++].c_str(), "") != NULL );
CPPUNIT_ASSERT( ::strstr(lines[line++].c_str(), "-----------------------------Solution composition--------") != NULL );
CPPUNIT_ASSERT( ::strstr(lines[line++].c_str(), "") != NULL );
CPPUNIT_ASSERT( ::strstr(lines[line++].c_str(), " Elements Molality Moles") != NULL );
CPPUNIT_ASSERT( ::strstr(lines[line++].c_str(), "") != NULL );
CPPUNIT_ASSERT( ::strstr(lines[line++].c_str(), " C ") != NULL );
CPPUNIT_ASSERT( ::strstr(lines[line++].c_str(), " Ca ") != NULL );
CPPUNIT_ASSERT( ::strstr(lines[line++].c_str(), " Na ") != NULL );
CPPUNIT_ASSERT( ::strstr(lines[line++].c_str(), "") != NULL );
CPPUNIT_ASSERT( ::strstr(lines[line++].c_str(), "----------------------------Description of solution------") != NULL );
CPPUNIT_ASSERT( ::strstr(lines[line++].c_str(), "") != NULL );
CPPUNIT_ASSERT( ::strstr(lines[line++].c_str(), " pH = ") != NULL );
CPPUNIT_ASSERT( ::strstr(lines[line++].c_str(), " pe = ") != NULL );
CPPUNIT_ASSERT( ::strstr(lines[line++].c_str(), " Activity of water = ") != NULL );
CPPUNIT_ASSERT( ::strstr(lines[line++].c_str(), " Ionic strength = ") != NULL );
CPPUNIT_ASSERT( ::strstr(lines[line++].c_str(), " Mass of water (kg) = ") != NULL );
CPPUNIT_ASSERT( ::strstr(lines[line++].c_str(), " Total alkalinity (eq/kg) = ") != NULL );
CPPUNIT_ASSERT( ::strstr(lines[line++].c_str(), " Total CO2 (mol/kg) = ") != NULL );
CPPUNIT_ASSERT( ::strstr(lines[line++].c_str(), " Temperature (deg C) = ") != NULL );
CPPUNIT_ASSERT( ::strstr(lines[line++].c_str(), " Electrical balance (eq) = ") != NULL );
CPPUNIT_ASSERT( ::strstr(lines[line++].c_str(), " Percent error, 100*(Cat-|An|)/(Cat+|An|) = ") != NULL );
CPPUNIT_ASSERT( ::strstr(lines[line++].c_str(), " Iterations = ") != NULL );
CPPUNIT_ASSERT( ::strstr(lines[line++].c_str(), " Total H = ") != NULL );
CPPUNIT_ASSERT( ::strstr(lines[line++].c_str(), " Total O = ") != NULL );
CPPUNIT_ASSERT( ::strstr(lines[line++].c_str(), "") != NULL );
CPPUNIT_ASSERT( ::strstr(lines[line++].c_str(), "----------------------------Distribution of species----------------------------") != NULL );
CPPUNIT_ASSERT( ::strstr(lines[line++].c_str(), "") != NULL );
CPPUNIT_ASSERT( ::strstr(lines[line++].c_str(), " Log Log Log mole V") != NULL );
CPPUNIT_ASSERT( ::strstr(lines[line++].c_str(), " Species Molality Activity Molality Activity Gamma cm3/mol") != NULL );
CPPUNIT_ASSERT( ::strstr(lines[line++].c_str(), "") != NULL );
CPPUNIT_ASSERT( ::strstr(lines[line++].c_str(), " OH- ") != NULL );
CPPUNIT_ASSERT( ::strstr(lines[line++].c_str(), " H+ ") != NULL );
CPPUNIT_ASSERT( ::strstr(lines[line++].c_str(), " H2O ") != NULL );
CPPUNIT_ASSERT( ::strstr(lines[line++].c_str(), "C(-4) ") != NULL );
CPPUNIT_ASSERT( ::strstr(lines[line++].c_str(), " CH4 ") != NULL );
CPPUNIT_ASSERT( ::strstr(lines[line++].c_str(), "C(4) ") != NULL );
CPPUNIT_ASSERT( ::strstr(lines[line++].c_str(), " HCO3- ") != NULL );
CPPUNIT_ASSERT( ::strstr(lines[line++].c_str(), " CO2 ") != NULL );
CPPUNIT_ASSERT( ::strstr(lines[line++].c_str(), " CaHCO3+ ") != NULL );
CPPUNIT_ASSERT( ::strstr(lines[line++].c_str(), " CaCO3 ") != NULL );
CPPUNIT_ASSERT( ::strstr(lines[line++].c_str(), " CO3-2 ") != NULL );
CPPUNIT_ASSERT( ::strstr(lines[line++].c_str(), " NaHCO3 ") != NULL );
CPPUNIT_ASSERT( ::strstr(lines[line++].c_str(), " NaCO3- ") != NULL );
CPPUNIT_ASSERT( ::strstr(lines[line++].c_str(), "Ca ") != NULL );
CPPUNIT_ASSERT( ::strstr(lines[line++].c_str(), " Ca+2 ") != NULL );
CPPUNIT_ASSERT( ::strstr(lines[line++].c_str(), " CaHCO3+ ") != NULL );
CPPUNIT_ASSERT( ::strstr(lines[line++].c_str(), " CaCO3 ") != NULL );
CPPUNIT_ASSERT( ::strstr(lines[line++].c_str(), " CaOH+ ") != NULL );
CPPUNIT_ASSERT( ::strstr(lines[line++].c_str(), "H(0) ") != NULL );
CPPUNIT_ASSERT( ::strstr(lines[line++].c_str(), " H2 ") != NULL );
CPPUNIT_ASSERT( ::strstr(lines[line++].c_str(), "Na ") != NULL );
CPPUNIT_ASSERT( ::strstr(lines[line++].c_str(), " Na+ ") != NULL );
CPPUNIT_ASSERT( ::strstr(lines[line++].c_str(), " NaHCO3 ") != NULL );
CPPUNIT_ASSERT( ::strstr(lines[line++].c_str(), " NaCO3- ") != NULL );
CPPUNIT_ASSERT( ::strstr(lines[line++].c_str(), " NaOH ") != NULL );
CPPUNIT_ASSERT( ::strstr(lines[line++].c_str(), "O(0) ") != NULL );
CPPUNIT_ASSERT( ::strstr(lines[line++].c_str(), " O2 ") != NULL );
CPPUNIT_ASSERT( ::strstr(lines[line++].c_str(), "") != NULL );
CPPUNIT_ASSERT( ::strstr(lines[line++].c_str(), "------------------------------Saturation indices-------------------------------") != NULL );
CPPUNIT_ASSERT( ::strstr(lines[line++].c_str(), "") != NULL );
CPPUNIT_ASSERT( ::strstr(lines[line++].c_str(), " Phase SI log IAP log K(298 K, 1 atm)") != NULL );
CPPUNIT_ASSERT( ::strstr(lines[line++].c_str(), "") != NULL );
CPPUNIT_ASSERT( ::strstr(lines[line++].c_str(), " Aragonite") != NULL );
CPPUNIT_ASSERT( ::strstr(lines[line++].c_str(), " Calcite") != NULL );
CPPUNIT_ASSERT( ::strstr(lines[line++].c_str(), " CH4(g)") != NULL );
CPPUNIT_ASSERT( ::strstr(lines[line++].c_str(), " CO2(g)") != NULL );
CPPUNIT_ASSERT( ::strstr(lines[line++].c_str(), " H2(g)") != NULL );
CPPUNIT_ASSERT( ::strstr(lines[line++].c_str(), " H2O(g)") != NULL );
CPPUNIT_ASSERT( ::strstr(lines[line++].c_str(), " O2(g)") != NULL );
CPPUNIT_ASSERT( ::strstr(lines[line++].c_str(), "") != NULL );
CPPUNIT_ASSERT( ::strstr(lines[line++].c_str(), "") != NULL );
CPPUNIT_ASSERT( ::strstr(lines[line++].c_str(), "------------------") != NULL );
CPPUNIT_ASSERT( ::strstr(lines[line++].c_str(), "End of simulation.") != NULL );
CPPUNIT_ASSERT( ::strstr(lines[line++].c_str(), "------------------") != NULL );
CPPUNIT_ASSERT( ::strstr(lines[line++].c_str(), "") != NULL );
CPPUNIT_ASSERT( ::strstr(lines[line++].c_str(), "------------------------------------") != NULL );
CPPUNIT_ASSERT( ::strstr(lines[line++].c_str(), "Reading input data for simulation 2.") != NULL );
CPPUNIT_ASSERT( ::strstr(lines[line++].c_str(), "------------------------------------") != NULL );
CPPUNIT_ASSERT( ::strstr(lines[line++].c_str(), "") != NULL );
CPPUNIT_ASSERT( ::strstr(lines[line++].c_str(), "----------------") != NULL );
CPPUNIT_ASSERT( ::strstr(lines[line++].c_str(), "End of Run after ") != NULL );
CPPUNIT_ASSERT( ::strstr(lines[line++].c_str(), "----------------") != NULL );
CPPUNIT_ASSERT( ::strstr(lines[line++].c_str(), "") != NULL );
CPPUNIT_ASSERT( ::strstr(lines[line++].c_str(), "") != NULL );
CPPUNIT_ASSERT( ::strstr(lines[line++].c_str(), "") != NULL );
CPPUNIT_ASSERT( ::strstr(lines[line++].c_str(), "") != NULL );
if (::FileExists(OUTPUT_FILENAME))
{
::DeleteFile(OUTPUT_FILENAME);
}
}
void TestIPhreeqc::TestOutputStringOnOff(void)
{
IPhreeqc obj;
CPPUNIT_ASSERT_EQUAL( false, obj.GetOutputStringOn() );
obj.SetOutputStringOn(true);
CPPUNIT_ASSERT_EQUAL( true, obj.GetOutputStringOn() );
obj.SetOutputStringOn(false);
CPPUNIT_ASSERT_EQUAL( false, obj.GetOutputStringOn() );
}
void TestIPhreeqc::TestGetOutputString(void)
{
char OUTPUT_FILENAME[80];
sprintf(OUTPUT_FILENAME, "output.%06d.out", ::rand());
if (::FileExists(OUTPUT_FILENAME))
{
::DeleteFile(OUTPUT_FILENAME);
}
CPPUNIT_ASSERT_EQUAL( false, ::FileExists(OUTPUT_FILENAME) );
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(true);
obj.SetOutputStringOn(true);
obj.SetErrorFileOn(false);
obj.SetLogFileOn(false);
obj.SetSelectedOutputFileOn(false);
obj.SetDumpStringOn(false);
obj.SetDumpFileOn(false);
obj.SetOutputFileName(OUTPUT_FILENAME);
CPPUNIT_ASSERT_EQUAL( 0, obj.RunAccumulated() );
CPPUNIT_ASSERT_EQUAL( true, ::FileExists(OUTPUT_FILENAME) );
{
std::ifstream ifs(OUTPUT_FILENAME);
std::string fline((std::istreambuf_iterator<char>(ifs)), std::istreambuf_iterator<char>());
std::string sline(obj.GetOutputString());
CPPUNIT_ASSERT( sline.size() > 0 );
CPPUNIT_ASSERT_EQUAL( fline, sline );
}
if (::FileExists(OUTPUT_FILENAME))
{
::DeleteFile(OUTPUT_FILENAME);
}
}
void TestIPhreeqc::TestGetOutputStringLineCount(void)
{
IPhreeqc obj;
CPPUNIT_ASSERT_EQUAL( 0, obj.GetOutputStringLineCount() );
CPPUNIT_ASSERT_EQUAL( 0, obj.LoadDatabase("phreeqc.dat"));
CPPUNIT_ASSERT_EQUAL( 0, obj.GetOutputStringLineCount() );
// 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.SetOutputStringOn(false);
obj.SetOutputFileOn(false);
obj.SetErrorFileOn(false);
obj.SetLogFileOn(false);
obj.SetSelectedOutputFileOn(false);
obj.SetDumpStringOn(false);
obj.SetDumpFileOn(false);
CPPUNIT_ASSERT_EQUAL( 0, obj.RunAccumulated() );
CPPUNIT_ASSERT_EQUAL( 0, obj.GetOutputStringLineCount() );
// 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) );
obj.SetOutputStringOn(true);
CPPUNIT_ASSERT_EQUAL( 0, obj.RunAccumulated() );
CPPUNIT_ASSERT_EQUAL( 98, obj.GetOutputStringLineCount() );
// 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) );
obj.SetOutputStringOn(false);
CPPUNIT_ASSERT_EQUAL( 0, obj.RunAccumulated() );
CPPUNIT_ASSERT_EQUAL( 0, obj.GetOutputStringLineCount() );
}
void TestIPhreeqc::TestGetOutputStringLine(void)
{
IPhreeqc obj;
CPPUNIT_ASSERT_EQUAL( 0, obj.GetOutputStringLineCount() );
CPPUNIT_ASSERT_EQUAL( 0, obj.LoadDatabase("phreeqc.dat"));
CPPUNIT_ASSERT_EQUAL( 0, obj.GetOutputStringLineCount() );
// 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.SetOutputStringOn(false);
obj.SetOutputFileOn(false);
obj.SetErrorFileOn(false);
obj.SetLogFileOn(false);
obj.SetSelectedOutputFileOn(false);
obj.SetDumpStringOn(false);
obj.SetDumpFileOn(false);
CPPUNIT_ASSERT_EQUAL( 0, obj.RunAccumulated() );
CPPUNIT_ASSERT_EQUAL( 0, obj.GetOutputStringLineCount() );
int line = 0;
CPPUNIT_ASSERT_EQUAL( std::string(""), std::string(obj.GetOutputStringLine(line++)) );
CPPUNIT_ASSERT_EQUAL( std::string(""), std::string(obj.GetOutputStringLine(line++)) );
CPPUNIT_ASSERT_EQUAL( std::string(""), std::string(obj.GetOutputStringLine(line++)) );
CPPUNIT_ASSERT_EQUAL( std::string(""), std::string(obj.GetOutputStringLine(line++)) );
// negative lines should be empty
CPPUNIT_ASSERT_EQUAL( std::string(""), std::string(obj.GetOutputStringLine(-1)) );
CPPUNIT_ASSERT_EQUAL( std::string(""), std::string(obj.GetOutputStringLine(-2)) );
CPPUNIT_ASSERT_EQUAL( std::string(""), std::string(obj.GetOutputStringLine(-3)) );
CPPUNIT_ASSERT_EQUAL( std::string(""), std::string(obj.GetOutputStringLine(-4)) );
// 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) );
obj.SetOutputStringOn(true);
CPPUNIT_ASSERT_EQUAL( 0, obj.RunAccumulated() );
CPPUNIT_ASSERT_EQUAL( 98, obj.GetOutputStringLineCount() );
CPPUNIT_ASSERT_EQUAL( std::string("------------------------------------"), std::string(obj.GetOutputStringLine(0)) );
CPPUNIT_ASSERT_EQUAL( std::string("Reading input data for simulation 1."), std::string(obj.GetOutputStringLine(1)) );
CPPUNIT_ASSERT_EQUAL( std::string("------------------------------------"), std::string(obj.GetOutputStringLine(2)) );
CPPUNIT_ASSERT_EQUAL( std::string("-----------------------------Solution composition------------------------------"), std::string(obj.GetOutputStringLine(16)) );
CPPUNIT_ASSERT_EQUAL( std::string("----------------------------Description of solution----------------------------"), std::string(obj.GetOutputStringLine(24)) );
CPPUNIT_ASSERT_EQUAL( std::string("----------------------------Distribution of species----------------------------"), std::string(obj.GetOutputStringLine(40)) );
CPPUNIT_ASSERT_EQUAL( std::string("------------------------------Saturation indices-------------------------------"), std::string(obj.GetOutputStringLine(73)) );
CPPUNIT_ASSERT_EQUAL( std::string("End of Run"), std::string(obj.GetOutputStringLine(95)).substr(0, 10) );
CPPUNIT_ASSERT_EQUAL( std::string(""), std::string(obj.GetOutputStringLine(98)) );
// 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) );
obj.SetOutputStringOn(false);
CPPUNIT_ASSERT_EQUAL( 0, obj.RunAccumulated() );
CPPUNIT_ASSERT_EQUAL( 0, obj.GetOutputStringLineCount() );
line = 0;
CPPUNIT_ASSERT_EQUAL( std::string(""), std::string(obj.GetOutputStringLine(line++)) );
CPPUNIT_ASSERT_EQUAL( std::string(""), std::string(obj.GetOutputStringLine(line++)) );
CPPUNIT_ASSERT_EQUAL( std::string(""), std::string(obj.GetOutputStringLine(line++)) );
CPPUNIT_ASSERT_EQUAL( std::string(""), std::string(obj.GetOutputStringLine(line++)) );
// negative lines should be empty
CPPUNIT_ASSERT_EQUAL( std::string(""), std::string(obj.GetOutputStringLine(-1)) );
CPPUNIT_ASSERT_EQUAL( std::string(""), std::string(obj.GetOutputStringLine(-2)) );
CPPUNIT_ASSERT_EQUAL( std::string(""), std::string(obj.GetOutputStringLine(-3)) );
CPPUNIT_ASSERT_EQUAL( std::string(""), std::string(obj.GetOutputStringLine(-4)) );
}
void TestIPhreeqc::TestSetLogFileName(void)
{
char LOG_FILENAME[80];
sprintf(LOG_FILENAME, "log.%06d.out", ::rand());
if (::FileExists(LOG_FILENAME))
{
::DeleteFile(LOG_FILENAME);
}
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) );
// add knobs
CPPUNIT_ASSERT_EQUAL( VR_OK, obj.AccumulateLine("KNOBS") );
CPPUNIT_ASSERT_EQUAL( VR_OK, obj.AccumulateLine("\t-logfile TRUE") );
// run
obj.SetLogFileOn(true);
obj.SetErrorFileOn(false);
obj.SetOutputFileOn(false);
obj.SetSelectedOutputFileOn(false);
obj.SetDumpStringOn(false);
obj.SetDumpFileOn(false);
obj.SetLogFileName(LOG_FILENAME);
CPPUNIT_ASSERT_EQUAL( 0, obj.RunAccumulated() );
CPPUNIT_ASSERT_EQUAL( true, ::FileExists(LOG_FILENAME) );
std::string lines[33];
std::ifstream ifs(LOG_FILENAME);
size_t i = 0;
while (i < sizeof(lines)/sizeof(lines[0]) && std::getline(ifs, lines[i]))
{
++i;
}
CPPUNIT_ASSERT_EQUAL( (size_t)25, i );
int line = 0;
CPPUNIT_ASSERT_EQUAL( std::string("-------------------------------------------"), lines[line++] );
CPPUNIT_ASSERT_EQUAL( std::string("Beginning of initial solution calculations."), lines[line++] );
CPPUNIT_ASSERT_EQUAL( std::string("-------------------------------------------"), lines[line++] );
CPPUNIT_ASSERT_EQUAL( std::string(""), lines[line++] );
CPPUNIT_ASSERT_EQUAL( std::string("Initial solution 1. "), lines[line++] );
CPPUNIT_ASSERT_EQUAL( std::string(""), lines[line++] );
CPPUNIT_ASSERT_EQUAL( std::string("Iterations in revise_guesses: 2"), lines[line++] );
CPPUNIT_ASSERT_EQUAL( std::string(""), lines[line++] );
CPPUNIT_ASSERT_EQUAL( std::string("Number of infeasible solutions: 0"), lines[line++] );
CPPUNIT_ASSERT_EQUAL( std::string("Number of basis changes: 0"), lines[line++] );
CPPUNIT_ASSERT_EQUAL( std::string(""), lines[line++] );
CPPUNIT_ASSERT_EQUAL( std::string("Number of iterations: 6"), lines[line++] );
CPPUNIT_ASSERT_EQUAL( std::string(""), lines[line++] );
CPPUNIT_ASSERT_EQUAL( std::string("------------------"), lines[line++] );
CPPUNIT_ASSERT_EQUAL( std::string("End of simulation."), lines[line++] );
CPPUNIT_ASSERT_EQUAL( std::string("------------------"), lines[line++] );
CPPUNIT_ASSERT_EQUAL( std::string(""), lines[line++] );
CPPUNIT_ASSERT_EQUAL( std::string("------------------------------------"), lines[line++] );
CPPUNIT_ASSERT_EQUAL( std::string("Reading input data for simulation 2."), lines[line++] );
CPPUNIT_ASSERT_EQUAL( std::string("------------------------------------"), lines[line++] );
CPPUNIT_ASSERT_EQUAL( std::string(""), lines[line++] );
line++;
CPPUNIT_ASSERT_EQUAL( std::string("End of Run"), lines[line++].substr(0, 10) );
line++;
CPPUNIT_ASSERT_EQUAL( std::string(""), lines[line++] );
if (::FileExists(LOG_FILENAME))
{
::DeleteFile(LOG_FILENAME);
}
}
void TestIPhreeqc::TestLogStringOnOff(void)
{
IPhreeqc obj;
CPPUNIT_ASSERT_EQUAL( false, obj.GetLogStringOn() );
obj.SetLogStringOn(true);
CPPUNIT_ASSERT_EQUAL( true, obj.GetLogStringOn() );
obj.SetLogStringOn(false);
CPPUNIT_ASSERT_EQUAL( false, obj.GetLogStringOn() );
}
void TestIPhreeqc::TestGetLogString(void)
{
char LOG_FILENAME[80];
sprintf(LOG_FILENAME, "log.%06d.out", ::rand());
if (::FileExists(LOG_FILENAME))
{
::DeleteFile(LOG_FILENAME);
}
CPPUNIT_ASSERT_EQUAL( false, ::FileExists(LOG_FILENAME) );
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) );
// add knobs
CPPUNIT_ASSERT_EQUAL( VR_OK, obj.AccumulateLine("KNOBS") );
CPPUNIT_ASSERT_EQUAL( VR_OK, obj.AccumulateLine("\t-logfile TRUE") );
// run
obj.SetLogFileOn(true);
obj.SetLogStringOn(true);
obj.SetDumpFileOn(false);
obj.SetDumpStringOn(false);
obj.SetErrorFileOn(false);
obj.SetOutputFileOn(false);
obj.SetOutputStringOn(false);
obj.SetSelectedOutputFileOn(false);
obj.SetLogFileName(LOG_FILENAME);
CPPUNIT_ASSERT_EQUAL( 0, obj.RunAccumulated() );
CPPUNIT_ASSERT_EQUAL( true, ::FileExists(LOG_FILENAME) );
{
std::ifstream ifs(LOG_FILENAME);
std::string fline((std::istreambuf_iterator<char>(ifs)), std::istreambuf_iterator<char>());
std::string sline(obj.GetLogString());
CPPUNIT_ASSERT( sline.size() > 0 );
CPPUNIT_ASSERT_EQUAL( fline, sline );
}
if (::FileExists(LOG_FILENAME))
{
::DeleteFile(LOG_FILENAME);
}
}
void TestIPhreeqc::TestGetLogStringLineCount(void)
{
IPhreeqc obj;
CPPUNIT_ASSERT_EQUAL( 0, obj.GetLogStringLineCount() );
CPPUNIT_ASSERT_EQUAL( 0, obj.LoadDatabase("phreeqc.dat"));
CPPUNIT_ASSERT_EQUAL( 0, obj.GetLogStringLineCount() );
// 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) );
// add knobs
CPPUNIT_ASSERT_EQUAL( VR_OK, obj.AccumulateLine("KNOBS") );
CPPUNIT_ASSERT_EQUAL( VR_OK, obj.AccumulateLine("\t-logfile TRUE") );
// run
obj.SetLogStringOn(false);
obj.SetLogFileOn(false);
obj.SetErrorFileOn(false);
obj.SetOutputFileOn(false);
obj.SetSelectedOutputFileOn(false);
obj.SetDumpStringOn(false);
obj.SetDumpFileOn(false);
CPPUNIT_ASSERT_EQUAL( 0, obj.RunAccumulated() );
CPPUNIT_ASSERT_EQUAL( 0, obj.GetLogStringLineCount() );
// 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) );
// add knobs
CPPUNIT_ASSERT_EQUAL( VR_OK, obj.AccumulateLine("KNOBS") );
CPPUNIT_ASSERT_EQUAL( VR_OK, obj.AccumulateLine("\t-logfile TRUE") );
obj.SetLogStringOn(true);
CPPUNIT_ASSERT_EQUAL( 0, obj.RunAccumulated() );
CPPUNIT_ASSERT_EQUAL( 29, obj.GetLogStringLineCount() );
// 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) );
// add knobs
CPPUNIT_ASSERT_EQUAL( VR_OK, obj.AccumulateLine("KNOBS") );
CPPUNIT_ASSERT_EQUAL( VR_OK, obj.AccumulateLine("\t-logfile TRUE") );
obj.SetLogStringOn(false);
CPPUNIT_ASSERT_EQUAL( 0, obj.RunAccumulated() );
CPPUNIT_ASSERT_EQUAL( 0, obj.GetLogStringLineCount() );
}
void TestIPhreeqc::TestGetLogStringLine(void)
{
IPhreeqc obj;
CPPUNIT_ASSERT_EQUAL( 0, obj.GetLogStringLineCount() );
CPPUNIT_ASSERT_EQUAL( 0, obj.LoadDatabase("phreeqc.dat"));
CPPUNIT_ASSERT_EQUAL( 0, obj.GetLogStringLineCount() );
// 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) );
// add knobs
CPPUNIT_ASSERT_EQUAL( VR_OK, obj.AccumulateLine("KNOBS") );
CPPUNIT_ASSERT_EQUAL( VR_OK, obj.AccumulateLine("\t-logfile TRUE") );
// run
obj.SetOutputStringOn(false);
obj.SetOutputFileOn(false);
obj.SetErrorFileOn(false);
obj.SetLogFileOn(false);
obj.SetSelectedOutputFileOn(false);
obj.SetDumpStringOn(false);
obj.SetDumpFileOn(false);
CPPUNIT_ASSERT_EQUAL( 0, obj.RunAccumulated() );
CPPUNIT_ASSERT_EQUAL( 0, obj.GetLogStringLineCount() );
int line = 0;
CPPUNIT_ASSERT_EQUAL( std::string(""), std::string(obj.GetLogStringLine(line++)) );
CPPUNIT_ASSERT_EQUAL( std::string(""), std::string(obj.GetLogStringLine(line++)) );
CPPUNIT_ASSERT_EQUAL( std::string(""), std::string(obj.GetLogStringLine(line++)) );
CPPUNIT_ASSERT_EQUAL( std::string(""), std::string(obj.GetLogStringLine(line++)) );
// negative lines should be empty
CPPUNIT_ASSERT_EQUAL( std::string(""), std::string(obj.GetLogStringLine(-1)) );
CPPUNIT_ASSERT_EQUAL( std::string(""), std::string(obj.GetLogStringLine(-2)) );
CPPUNIT_ASSERT_EQUAL( std::string(""), std::string(obj.GetLogStringLine(-3)) );
CPPUNIT_ASSERT_EQUAL( std::string(""), std::string(obj.GetLogStringLine(-4)) );
// 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) );
// add knobs
CPPUNIT_ASSERT_EQUAL( VR_OK, obj.AccumulateLine("KNOBS") );
CPPUNIT_ASSERT_EQUAL( VR_OK, obj.AccumulateLine("\t-logfile TRUE") );
obj.SetLogStringOn(true);
CPPUNIT_ASSERT_EQUAL( 0, obj.RunAccumulated() );
CPPUNIT_ASSERT_EQUAL( 29, obj.GetLogStringLineCount() );
line = 0;
CPPUNIT_ASSERT_EQUAL( std::string("------------------------------------"), std::string(obj.GetLogStringLine(line++)) );
CPPUNIT_ASSERT_EQUAL( std::string("Reading input data for simulation 1."), std::string(obj.GetLogStringLine(line++)) );
CPPUNIT_ASSERT_EQUAL( std::string("------------------------------------"), std::string(obj.GetLogStringLine(line++)) );
CPPUNIT_ASSERT_EQUAL( std::string(""), std::string(obj.GetLogStringLine(line++)) );
CPPUNIT_ASSERT_EQUAL( std::string("-------------------------------------------"), std::string(obj.GetLogStringLine(line++)) );
CPPUNIT_ASSERT_EQUAL( std::string("Beginning of initial solution calculations."), std::string(obj.GetLogStringLine(line++)) );
CPPUNIT_ASSERT_EQUAL( std::string("-------------------------------------------"), std::string(obj.GetLogStringLine(line++)) );
CPPUNIT_ASSERT_EQUAL( std::string(""), std::string(obj.GetLogStringLine(line++)) );
CPPUNIT_ASSERT_EQUAL( std::string("Initial solution 1. "), std::string(obj.GetLogStringLine(line++)) );
CPPUNIT_ASSERT_EQUAL( std::string(""), std::string(obj.GetLogStringLine(line++)) );
CPPUNIT_ASSERT_EQUAL( std::string("Iterations in revise_guesses: 2"), std::string(obj.GetLogStringLine(line++)) );
CPPUNIT_ASSERT_EQUAL( std::string(""), std::string(obj.GetLogStringLine(line++)) );
CPPUNIT_ASSERT_EQUAL( std::string("Number of infeasible solutions: 0"), std::string(obj.GetLogStringLine(line++)) );
CPPUNIT_ASSERT_EQUAL( std::string("Number of basis changes: 0"), std::string(obj.GetLogStringLine(line++)) );
CPPUNIT_ASSERT_EQUAL( std::string(""), std::string(obj.GetLogStringLine(line++)) );
CPPUNIT_ASSERT_EQUAL( std::string("Number of iterations: 6"), std::string(obj.GetLogStringLine(line++)) );
CPPUNIT_ASSERT_EQUAL( std::string(""), std::string(obj.GetLogStringLine(line++)) );
CPPUNIT_ASSERT_EQUAL( std::string("------------------"), std::string(obj.GetLogStringLine(line++)) );
CPPUNIT_ASSERT_EQUAL( std::string("End of simulation."), std::string(obj.GetLogStringLine(line++)) );
CPPUNIT_ASSERT_EQUAL( std::string("------------------"), std::string(obj.GetLogStringLine(line++)) );
CPPUNIT_ASSERT_EQUAL( std::string(""), std::string(obj.GetLogStringLine(line++)) );
CPPUNIT_ASSERT_EQUAL( std::string("------------------------------------"), std::string(obj.GetLogStringLine(line++)) );
CPPUNIT_ASSERT_EQUAL( std::string("Reading input data for simulation 2."), std::string(obj.GetLogStringLine(line++)) );
CPPUNIT_ASSERT_EQUAL( std::string("------------------------------------"), std::string(obj.GetLogStringLine(line++)) );
CPPUNIT_ASSERT_EQUAL( std::string(""), std::string(obj.GetLogStringLine(line++)) );
CPPUNIT_ASSERT_EQUAL( std::string("----------"), std::string(obj.GetLogStringLine(line++)).substr(0, 10) );
CPPUNIT_ASSERT_EQUAL( std::string("End of Run"), std::string(obj.GetLogStringLine(line++)).substr(0, 10) );
CPPUNIT_ASSERT_EQUAL( std::string("----------"), std::string(obj.GetLogStringLine(line++)).substr(0, 10) );
CPPUNIT_ASSERT_EQUAL( std::string(""), std::string(obj.GetLogStringLine(line++)) );
// 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) );
// add knobs
CPPUNIT_ASSERT_EQUAL( VR_OK, obj.AccumulateLine("KNOBS") );
CPPUNIT_ASSERT_EQUAL( VR_OK, obj.AccumulateLine("\t-logfile TRUE") );
obj.SetLogStringOn(false);
CPPUNIT_ASSERT_EQUAL( 0, obj.RunAccumulated() );
CPPUNIT_ASSERT_EQUAL( 0, obj.GetLogStringLineCount() );
line = 0;
CPPUNIT_ASSERT_EQUAL( std::string(""), std::string(obj.GetLogStringLine(line++)) );
CPPUNIT_ASSERT_EQUAL( std::string(""), std::string(obj.GetLogStringLine(line++)) );
CPPUNIT_ASSERT_EQUAL( std::string(""), std::string(obj.GetLogStringLine(line++)) );
CPPUNIT_ASSERT_EQUAL( std::string(""), std::string(obj.GetLogStringLine(line++)) );
// negative lines should be empty
CPPUNIT_ASSERT_EQUAL( std::string(""), std::string(obj.GetLogStringLine(-1)) );
CPPUNIT_ASSERT_EQUAL( std::string(""), std::string(obj.GetLogStringLine(-2)) );
CPPUNIT_ASSERT_EQUAL( std::string(""), std::string(obj.GetLogStringLine(-3)) );
CPPUNIT_ASSERT_EQUAL( std::string(""), std::string(obj.GetLogStringLine(-4)) );
}
void TestIPhreeqc::TestSetErrorFileName(void)
{
char ERR_FILENAME[80];
sprintf(ERR_FILENAME, "error.%06d.out", ::rand());
if (::FileExists(ERR_FILENAME))
{
::DeleteFile(ERR_FILENAME);
}
IPhreeqc obj;
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") );
// run
obj.SetErrorFileOn(true);
obj.SetLogFileOn(false);
obj.SetOutputFileOn(false);
obj.SetSelectedOutputFileOn(false);
obj.SetDumpStringOn(false);
obj.SetDumpFileOn(false);
obj.SetErrorFileName(ERR_FILENAME);
CPPUNIT_ASSERT_EQUAL( 1, obj.RunAccumulated() );
CPPUNIT_ASSERT_EQUAL( true, ::FileExists(ERR_FILENAME) );
std::string lines[100];
{
std::ifstream ifs(ERR_FILENAME);
size_t i = 0;
while (i < sizeof(lines)/sizeof(lines[0]) && std::getline(ifs, lines[i]))
{
++i;
}
CPPUNIT_ASSERT_EQUAL( (size_t)84, i );
}
CPPUNIT_ASSERT_EQUAL( std::string("WARNING: Maximum iterations exceeded, 100"), lines[0] );
CPPUNIT_ASSERT_EQUAL( std::string("WARNING: Numerical method failed with this set of convergence parameters."), lines[2] );
CPPUNIT_ASSERT_EQUAL( std::string("ERROR: Numerical method failed on all combinations of convergence parameters"), lines[82] );
CPPUNIT_ASSERT_EQUAL( std::string("Stopping."), lines[83] );
if (::FileExists(ERR_FILENAME))
{
::DeleteFile(ERR_FILENAME);
}
}
void TestIPhreeqc::TestErrorStringOnOff(void)
{
IPhreeqc obj;
CPPUNIT_ASSERT_EQUAL( true, obj.GetErrorStringOn() );
obj.SetErrorStringOn(false);
CPPUNIT_ASSERT_EQUAL( false, obj.GetErrorStringOn() );
obj.SetErrorStringOn(true);
CPPUNIT_ASSERT_EQUAL( true, obj.GetErrorStringOn() );
obj.SetErrorStringOn(false);
CPPUNIT_ASSERT_EQUAL( false, obj.GetErrorStringOn() );
}
void TestIPhreeqc::TestGetErrorString(void)
{
char ERR_FILENAME[80];
sprintf(ERR_FILENAME, "error.%06d.out", ::rand());
if (::FileExists(ERR_FILENAME))
{
::DeleteFile(ERR_FILENAME);
}
CPPUNIT_ASSERT_EQUAL( false, ::FileExists(ERR_FILENAME) );
IPhreeqc obj;
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") );
// run
obj.SetErrorFileOn(true);
obj.SetErrorStringOn(true);
obj.SetDumpFileOn(false);
obj.SetDumpStringOn(false);
obj.SetLogFileOn(false);
obj.SetOutputFileOn(false);
obj.SetOutputStringOn(false);
obj.SetSelectedOutputFileOn(false);
obj.SetErrorFileName(ERR_FILENAME);
CPPUNIT_ASSERT_EQUAL( std::string(ERR_FILENAME), std::string(obj.GetErrorFileName()) );
CPPUNIT_ASSERT_EQUAL( 1, obj.RunAccumulated() );
CPPUNIT_ASSERT_EQUAL( std::string(ERR_FILENAME), std::string(obj.GetErrorFileName()) );
CPPUNIT_ASSERT_EQUAL( true, ::FileExists(ERR_FILENAME) );
{
std::string fline("ERROR: Numerical method failed on all combinations of convergence parameters\n");
std::string sline(obj.GetErrorString());
CPPUNIT_ASSERT( sline.size() > 0 );
CPPUNIT_ASSERT_EQUAL( fline, sline );
}
if (::FileExists(ERR_FILENAME))
{
::DeleteFile(ERR_FILENAME);
}
}
void TestIPhreeqc::TestGetErrorStringLineCount(void)
{
IPhreeqc obj;
CPPUNIT_ASSERT_EQUAL( 0, obj.GetErrorStringLineCount() );
CPPUNIT_ASSERT_EQUAL( 0, obj.LoadDatabase("phreeqc.dat") );
CPPUNIT_ASSERT_EQUAL( 0, obj.GetErrorStringLineCount() );
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") );
CPPUNIT_ASSERT_EQUAL( true, obj.GetErrorStringOn() );
CPPUNIT_ASSERT_EQUAL( 1, obj.RunAccumulated() );
CPPUNIT_ASSERT_EQUAL( 1, obj.GetErrorStringLineCount() );
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.SetErrorStringOn(true);
CPPUNIT_ASSERT_EQUAL( 1, obj.RunAccumulated() );
CPPUNIT_ASSERT_EQUAL( 1, obj.GetErrorStringLineCount() );
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.SetErrorStringOn(false);
CPPUNIT_ASSERT_EQUAL( 1, obj.RunAccumulated() );
CPPUNIT_ASSERT_EQUAL( 0, obj.GetErrorStringLineCount() );
}
void TestIPhreeqc::TestSetSelectedOutputFileName(void)
{
char SELOUT_FILENAME[80];
sprintf(SELOUT_FILENAME, "selected_output.%06d.out", ::rand());
if (::FileExists(SELOUT_FILENAME))
{
::DeleteFile(SELOUT_FILENAME);
}
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));
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.SetSelectedOutputFileOn(1);
obj.SetSelectedOutputFileName(SELOUT_FILENAME);
CPPUNIT_ASSERT_EQUAL( 0, obj.RunAccumulated() );
CPPUNIT_ASSERT_EQUAL( true, ::FileExists(SELOUT_FILENAME) );
/*
EXPECTED selected.out:
sim state soln dist_x time step pH pe C Ca Na m_CO3-2 m_CaOH+ m_NaCO3- la_CO3-2 la_CaOH+ la_NaCO3- Calcite d_Calcite si_CO2(g) si_Siderite pressure total mol volume g_CO2(g) g_N2(g) k_Albite dk_Albite k_Pyrite dk_Pyrite s_CaSO4 s_SrSO4 1.name 1.type 1.moles 2.name 2.type 2.moles 3.name 3.type 3.moles 4.name 4.type 4.moles 5.name 5.type 5.moles 6.name 6.type 6.moles
1 i_soln 1 -99 -99 -99 7 4 1.0000e-003 1.0000e-003 1.0000e-003 4.2975e-007 1.1819e-009 1.1881e-009 -6.4686e+000 -8.9530e+000 -8.9507e+000 0.0000e+000 0.0000e+000 -2.2870 -999.9990 0.0000e+000 0.0000e+000 0.0000e+000 0.0000e+000 0.0000e+000 0.0000e+000 0.0000e+000 0.0000e+000 0.0000e+000 0.0000e+000 0.0000e+000 Ca+2 aq 9.9178e-004 CaHCO3+ aq 7.5980e-006 CaCO3 aq 6.2155e-007 CaOH+ aq 1.1819e-009
1 react 1 -99 0 1 7.86135 10.18 1.1556e-003 1.1556e-003 1.0000e-003 4.2718e-006 9.7385e-009 1.1620e-008 -5.4781e+000 -8.0388e+000 -7.9621e+000 9.8444e-003 -1.5555e-004 -3.0192 -999.9990 0.0000e+000 0.0000e+000 0.0000e+000 0.0000e+000 0.0000e+000 0.0000e+000 0.0000e+000 0.0000e+000 0.0000e+000 0.0000e+000 0.0000e+000 calcite equi 9.8444e-003 Ca+2 aq 1.1371e-003 CaHCO3+ aq 1.1598e-005 CaCO3 aq 6.8668e-006 CaOH+ aq 9.7385e-009
*/
if (::FileExists(SELOUT_FILENAME))
{
::DeleteFile(SELOUT_FILENAME);
}
}
void TestIPhreeqc::TestSelectedOutputStringOnOff(void)
{
IPhreeqc obj;
CPPUNIT_ASSERT_EQUAL( false, obj.GetSelectedOutputFileOn());
obj.SetSelectedOutputFileOn(true);
CPPUNIT_ASSERT_EQUAL( true, obj.GetSelectedOutputFileOn());
obj.SetSelectedOutputFileOn(false);
CPPUNIT_ASSERT_EQUAL( false, obj.GetSelectedOutputFileOn());
}
void TestIPhreeqc::TestGetSelectedOutputString(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));
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.SetSelectedOutputStringOn(true);
CPPUNIT_ASSERT_EQUAL( 0, obj.RunAccumulated() );
std::string sline( obj.GetSelectedOutputString() );
CPPUNIT_ASSERT( ::strstr(sline.c_str(), "sim\t") != NULL );
CPPUNIT_ASSERT( ::strstr(sline.c_str(), "state\t") != NULL );
CPPUNIT_ASSERT( ::strstr(sline.c_str(), "soln\t") != NULL );
CPPUNIT_ASSERT( ::strstr(sline.c_str(), "dist_x\t") != NULL );
CPPUNIT_ASSERT( ::strstr(sline.c_str(), "time\t") != NULL );
CPPUNIT_ASSERT( ::strstr(sline.c_str(), "step\t") != NULL );
CPPUNIT_ASSERT( ::strstr(sline.c_str(), "pH\t") != NULL );
CPPUNIT_ASSERT( ::strstr(sline.c_str(), "pe\t") != NULL );
CPPUNIT_ASSERT( ::strstr(sline.c_str(), "C\t") != NULL );
CPPUNIT_ASSERT( ::strstr(sline.c_str(), "Ca\t") != NULL );
CPPUNIT_ASSERT( ::strstr(sline.c_str(), "Na\t") != NULL );
CPPUNIT_ASSERT( ::strstr(sline.c_str(), "m_CO3-2\t") != NULL );
CPPUNIT_ASSERT( ::strstr(sline.c_str(), "m_CaOH+\t") != NULL );
CPPUNIT_ASSERT( ::strstr(sline.c_str(), "m_NaCO3-\t") != NULL );
CPPUNIT_ASSERT( ::strstr(sline.c_str(), "la_CO3-2\t") != NULL );
CPPUNIT_ASSERT( ::strstr(sline.c_str(), "la_CaOH+\t") != NULL );
CPPUNIT_ASSERT( ::strstr(sline.c_str(), "la_NaCO3-\t") != NULL );
CPPUNIT_ASSERT( ::strstr(sline.c_str(), "Calcite\t") != NULL );
CPPUNIT_ASSERT( ::strstr(sline.c_str(), "d_Calcite\t") != NULL );
CPPUNIT_ASSERT( ::strstr(sline.c_str(), "si_CO2(g)\t") != NULL );
CPPUNIT_ASSERT( ::strstr(sline.c_str(), "si_Siderite\t") != NULL );
CPPUNIT_ASSERT( ::strstr(sline.c_str(), "pressure\t") != NULL );
CPPUNIT_ASSERT( ::strstr(sline.c_str(), "total mol\t") != NULL );
CPPUNIT_ASSERT( ::strstr(sline.c_str(), "volume\t") != NULL );
CPPUNIT_ASSERT( ::strstr(sline.c_str(), "g_CO2(g)\t") != NULL );
CPPUNIT_ASSERT( ::strstr(sline.c_str(), "g_N2(g)\t") != NULL );
CPPUNIT_ASSERT( ::strstr(sline.c_str(), "k_Albite\t") != NULL );
CPPUNIT_ASSERT( ::strstr(sline.c_str(), "dk_Albite\t") != NULL );
CPPUNIT_ASSERT( ::strstr(sline.c_str(), "k_Pyrite\t") != NULL );
CPPUNIT_ASSERT( ::strstr(sline.c_str(), "dk_Pyrite\t") != NULL );
CPPUNIT_ASSERT( ::strstr(sline.c_str(), "s_CaSO4\t") != NULL );
CPPUNIT_ASSERT( ::strstr(sline.c_str(), "s_SrSO4\t") != NULL );
CPPUNIT_ASSERT( ::strstr(sline.c_str(), "1.name\t") != NULL );
CPPUNIT_ASSERT( ::strstr(sline.c_str(), "1.type\t") != NULL );
CPPUNIT_ASSERT( ::strstr(sline.c_str(), "1.moles\t") != NULL );
CPPUNIT_ASSERT( ::strstr(sline.c_str(), "2.name\t") != NULL );
CPPUNIT_ASSERT( ::strstr(sline.c_str(), "2.type\t") != NULL );
CPPUNIT_ASSERT( ::strstr(sline.c_str(), "2.moles\t") != NULL );
CPPUNIT_ASSERT( ::strstr(sline.c_str(), "3.name\t") != NULL );
CPPUNIT_ASSERT( ::strstr(sline.c_str(), "3.type\t") != NULL );
CPPUNIT_ASSERT( ::strstr(sline.c_str(), "3.moles\t") != NULL );
CPPUNIT_ASSERT( ::strstr(sline.c_str(), "4.name\t") != NULL );
CPPUNIT_ASSERT( ::strstr(sline.c_str(), "4.type\t") != NULL );
CPPUNIT_ASSERT( ::strstr(sline.c_str(), "4.moles\t") != NULL );
CPPUNIT_ASSERT( ::strstr(sline.c_str(), "5.name\t") != NULL );
CPPUNIT_ASSERT( ::strstr(sline.c_str(), "5.type\t") != NULL );
CPPUNIT_ASSERT( ::strstr(sline.c_str(), "5.moles\t") != NULL );
CPPUNIT_ASSERT( ::strstr(sline.c_str(), "6.name\t") != NULL );
CPPUNIT_ASSERT( ::strstr(sline.c_str(), "6.type\t") != NULL );
CPPUNIT_ASSERT( ::strstr(sline.c_str(), "6.moles\t") != NULL );
CPPUNIT_ASSERT( ::strstr(sline.c_str(), "\n") != NULL );
CPPUNIT_ASSERT( ::strstr(sline.c_str(), "i_soln\t") != NULL );
CPPUNIT_ASSERT( ::strstr(sline.c_str(), "react\t") != NULL );
CPPUNIT_ASSERT( ::strstr(sline.c_str(), "Ca+2\t") != NULL );
CPPUNIT_ASSERT( ::strstr(sline.c_str(), "aq\t") != NULL );
CPPUNIT_ASSERT( ::strstr(sline.c_str(), "CaHCO3+\t") != NULL );
CPPUNIT_ASSERT( ::strstr(sline.c_str(), "CaCO3\t") != NULL );
CPPUNIT_ASSERT( ::strstr(sline.c_str(), "CaOH+\t") != NULL );
CPPUNIT_ASSERT( ::strstr(sline.c_str(), "Calcite\t") != NULL );
CPPUNIT_ASSERT( ::strstr(sline.c_str(), "equi\t") != NULL );
}
void TestIPhreeqc::TestGetSelectedOutputStringLineCount(void)
{
IPhreeqc obj;
CPPUNIT_ASSERT_EQUAL( false, obj.GetSelectedOutputFileOn() );
CPPUNIT_ASSERT_EQUAL( 0, obj.LoadDatabase("llnl.dat") );
CPPUNIT_ASSERT_EQUAL( false, obj.GetSelectedOutputFileOn() );
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) );
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( false, obj.GetSelectedOutputStringOn() != 0 );
obj.SetSelectedOutputStringOn(true);
CPPUNIT_ASSERT_EQUAL( 0, obj.RunAccumulated() );
CPPUNIT_ASSERT_EQUAL( 3, obj.GetSelectedOutputStringLineCount() );
}
void TestIPhreeqc::TestGetSelectedOutputStringLine(void)
{
IPhreeqc obj;
CPPUNIT_ASSERT_EQUAL( false, obj.GetSelectedOutputFileOn() );
CPPUNIT_ASSERT_EQUAL( 0, obj.LoadDatabase("llnl.dat") );
CPPUNIT_ASSERT_EQUAL( false, obj.GetSelectedOutputFileOn() );
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) );
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( false, obj.GetSelectedOutputStringOn() );
CPPUNIT_ASSERT_EQUAL( 0, obj.RunAccumulated() );
CPPUNIT_ASSERT_EQUAL( 0, obj.GetSelectedOutputStringLineCount() );
int line = 0;
CPPUNIT_ASSERT_EQUAL( std::string(""), std::string(obj.GetSelectedOutputStringLine(line++)) );
CPPUNIT_ASSERT_EQUAL( std::string(""), std::string(obj.GetSelectedOutputStringLine(line++)) );
CPPUNIT_ASSERT_EQUAL( std::string(""), std::string(obj.GetSelectedOutputStringLine(line++)) );
// negative lines should be empty
CPPUNIT_ASSERT_EQUAL( std::string(""), std::string(obj.GetSelectedOutputStringLine(-1)) );
CPPUNIT_ASSERT_EQUAL( std::string(""), std::string(obj.GetSelectedOutputStringLine(-2)) );
CPPUNIT_ASSERT_EQUAL( std::string(""), std::string(obj.GetSelectedOutputStringLine(-3)) );
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) );
CPPUNIT_ASSERT_EQUAL( false, obj.GetSelectedOutputStringOn() != 0 );
obj.SetSelectedOutputStringOn(true);
CPPUNIT_ASSERT_EQUAL( 0, obj.RunAccumulated() );
CPPUNIT_ASSERT_EQUAL( 3, obj.GetSelectedOutputStringLineCount() );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(0), "sim\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(0), "state\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(0), "soln\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(0), "dist_x\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(0), "time\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(0), "step\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(0), "pH\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(0), "pe\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(0), "C\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(0), "Ca\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(0), "Na\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(0), "m_CO3-2\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(0), "m_CaOH+\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(0), "m_NaCO3-\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(0), "la_CO3-2\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(0), "la_CaOH+\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(0), "la_NaCO3-\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(0), "Calcite\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(0), "d_Calcite\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(0), "si_CO2(g)\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(0), "si_Siderite\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(0), "pressure\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(0), "total mol\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(0), "volume\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(0), "g_CO2(g)\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(0), "g_N2(g)\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(0), "k_Albite\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(0), "dk_Albite\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(0), "k_Pyrite\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(0), "dk_Pyrite\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(0), "s_CaSO4\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(0), "s_SrSO4\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(0), "1.name\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(0), "1.type\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(0), "1.moles\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(0), "2.name\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(0), "2.type\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(0), "2.moles\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(0), "3.name\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(0), "3.type\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(0), "3.moles\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(0), "4.name\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(0), "4.type\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(0), "4.moles\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(0), "5.name\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(0), "5.type\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(0), "5.moles\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(0), "6.name\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(0), "6.type\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(0), "6.moles\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(1), "i_soln\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(1), "Ca+2\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(1), "aq\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(1), "CaHCO3+\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(1), "CaCO3\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(1), "CaOH+\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(2), "react\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(2), "Calcite\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(2), "equi\t") != NULL );
// after obj.GetSelectedOutputStringLineCount() should be empty
CPPUNIT_ASSERT_EQUAL( std::string(""), std::string(obj.GetSelectedOutputStringLine(obj.GetSelectedOutputStringLineCount())) );
CPPUNIT_ASSERT_EQUAL( std::string(""), std::string(obj.GetSelectedOutputStringLine(obj.GetSelectedOutputStringLineCount() + 1)) );
CPPUNIT_ASSERT_EQUAL( std::string(""), std::string(obj.GetSelectedOutputStringLine(obj.GetSelectedOutputStringLineCount() + 2)) );
// negative lines should be empty
CPPUNIT_ASSERT_EQUAL( std::string(""), std::string(obj.GetSelectedOutputStringLine(-1)) );
CPPUNIT_ASSERT_EQUAL( std::string(""), std::string(obj.GetSelectedOutputStringLine(-2)) );
CPPUNIT_ASSERT_EQUAL( std::string(""), std::string(obj.GetSelectedOutputStringLine(-3)) );
}
void TestIPhreeqc::TestGetSelectedOutputStringLineNotEnoughHeadings(void)
{
IPhreeqc obj;
CPPUNIT_ASSERT_EQUAL( false, obj.GetSelectedOutputFileOn() );
CPPUNIT_ASSERT_EQUAL( 0, obj.LoadDatabase("llnl.dat") );
CPPUNIT_ASSERT_EQUAL( false, obj.GetSelectedOutputFileOn() );
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_NEH(obj) );
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( false, obj.GetSelectedOutputStringOn() != 0 );
obj.SetSelectedOutputStringOn(true);
CPPUNIT_ASSERT_EQUAL( 0, obj.RunAccumulated() );
CPPUNIT_ASSERT_EQUAL( 3, obj.GetSelectedOutputStringLineCount() );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(0), "sim\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(0), "state\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(0), "soln\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(0), "dist_x\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(0), "time\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(0), "step\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(0), "pH\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(0), "pe\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(0), "C\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(0), "Ca\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(0), "Na\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(0), "m_CO3-2\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(0), "m_CaOH+\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(0), "m_NaCO3-\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(0), "la_CO3-2\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(0), "la_CaOH+\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(0), "la_NaCO3-\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(0), "Calcite\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(0), "d_Calcite\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(0), "si_CO2(g)\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(0), "si_Siderite\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(0), "pressure\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(0), "total mol\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(0), "volume\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(0), "g_CO2(g)\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(0), "g_N2(g)\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(0), "k_Albite\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(0), "dk_Albite\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(0), "k_Pyrite\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(0), "dk_Pyrite\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(0), "s_CaSO4\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(0), "s_SrSO4\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(0), "head0\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(0), "head1\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(0), "head2\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(1), "i_soln\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(1), "have0\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(1), "have1\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(1), "have2\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(1), "missing0\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(1), "missing2\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(1), "missing2\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(2), "react\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(2), "have0\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(2), "have1\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(2), "have2\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(2), "missing0\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(2), "missing2\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(2), "missing2\t") != NULL );
// after obj.GetSelectedOutputStringLineCount() should be empty
CPPUNIT_ASSERT_EQUAL( std::string(""), std::string(obj.GetSelectedOutputStringLine(obj.GetSelectedOutputStringLineCount())) );
CPPUNIT_ASSERT_EQUAL( std::string(""), std::string(obj.GetSelectedOutputStringLine(obj.GetSelectedOutputStringLineCount() + 1)) );
CPPUNIT_ASSERT_EQUAL( std::string(""), std::string(obj.GetSelectedOutputStringLine(obj.GetSelectedOutputStringLineCount() + 2)) );
// negative lines should be empty
CPPUNIT_ASSERT_EQUAL( std::string(""), std::string(obj.GetSelectedOutputStringLine(-1)) );
CPPUNIT_ASSERT_EQUAL( std::string(""), std::string(obj.GetSelectedOutputStringLine(-2)) );
CPPUNIT_ASSERT_EQUAL( std::string(""), std::string(obj.GetSelectedOutputStringLine(-3)) );
}
void TestIPhreeqc::TestLongUser_Punch(void)
{
// stream tests
std::ostringstream oss;
PHRQ_io::fpunchf_helper(&oss, "%2046.2046s", "TEST");
CPPUNIT_ASSERT_EQUAL((size_t)2046, oss.str().size());
std::string s0(oss.str());
CPPUNIT_ASSERT_EQUAL(std::string("TEST"), trim(s0));
oss.clear(); oss.seekp(0);
PHRQ_io::fpunchf_helper(&oss, "%2047.2047s", "TEST");
CPPUNIT_ASSERT_EQUAL((size_t)2047, oss.str().size());
std::string s1(oss.str());
CPPUNIT_ASSERT_EQUAL(std::string("TEST"), trim(s1));
oss.clear(); oss.seekp(0);
PHRQ_io::fpunchf_helper(&oss, "%2048.2048s", "TEST");
CPPUNIT_ASSERT_EQUAL((size_t)2048, oss.str().size());
std::string s2(oss.str());
CPPUNIT_ASSERT_EQUAL(std::string("TEST"), trim(s2));
oss.clear(); oss.seekp(0);
PHRQ_io::fpunchf_helper(&oss, "%2049.2049s", "TEST");
CPPUNIT_ASSERT_EQUAL((size_t)2049, oss.str().size());
std::string s3(oss.str());
CPPUNIT_ASSERT_EQUAL(std::string("TEST"), trim(s3));
oss.clear(); oss.seekp(0);
PHRQ_io::fpunchf_helper(&oss, "%2050.2050s", "TEST");
CPPUNIT_ASSERT_EQUAL((size_t)2050, oss.str().size());
std::string s4(oss.str());
CPPUNIT_ASSERT_EQUAL(std::string("TEST"), trim(s4));
// string tests
std::string str;
PHRQ_io::fpunchf_helper(&str, "%2046.2046s", "TEST");
CPPUNIT_ASSERT_EQUAL((size_t)2046, str.size());
CPPUNIT_ASSERT_EQUAL(std::string("TEST"), trim(str));
str.clear();
PHRQ_io::fpunchf_helper(&str, "%2047.2047s", "TEST");
CPPUNIT_ASSERT_EQUAL((size_t)2047, str.size());
CPPUNIT_ASSERT_EQUAL(std::string("TEST"), trim(str));
str.clear();
PHRQ_io::fpunchf_helper(&str, "%2048.2048s", "TEST");
CPPUNIT_ASSERT_EQUAL((size_t)2048, str.size());
CPPUNIT_ASSERT_EQUAL(std::string("TEST"), trim(str));
str.clear();
PHRQ_io::fpunchf_helper(&str, "%2049.2049s", "TEST");
CPPUNIT_ASSERT_EQUAL((size_t)2049, str.size());
CPPUNIT_ASSERT_EQUAL(std::string("TEST"), trim(str));
str.clear();
PHRQ_io::fpunchf_helper(&str, "%2050.2050s", "TEST");
CPPUNIT_ASSERT_EQUAL((size_t)2050, str.size());
CPPUNIT_ASSERT_EQUAL(std::string("TEST"), trim(str));
const char input[] =
"PRINT\n"
" -selected_output t\n"
"SOLUTION\n"
"SELECTED_OUTPUT\n"
" -reset false\n"
"USER_PUNCH\n"
"1 REM 255 CHARACTER STRING\n"
"10 temp$ = \"XXXXX123456789012345678901234567890123456789012345678901234567890123456789012345678901234567890123456789012345678901234567890123456789012345678901234567890123456789012345678901234567890123456789012345678901234567890123456789012345678901234567890123456789012345\"\n"
"20 PUNCH temp$\n";
IPhreeqc obj;
obj.SetSelectedOutputFileOn(true);
CPPUNIT_ASSERT_EQUAL(0, obj.LoadDatabase("phreeqc.dat"));
CPPUNIT_ASSERT_EQUAL(0, obj.RunString(input));
}
void TestIPhreeqc::TestBasicSURF(void)
{
IPhreeqc obj;
CPPUNIT_ASSERT_EQUAL( 0, obj.LoadDatabase("phreeqc.dat"));
CPPUNIT_ASSERT_EQUAL( VR_OK, obj.AccumulateLine("SURFACE_MASTER_SPECIES") );
CPPUNIT_ASSERT_EQUAL( VR_OK, obj.AccumulateLine(" Surfa Surfa") );
CPPUNIT_ASSERT_EQUAL( VR_OK, obj.AccumulateLine(" Surfb Surfb") );
CPPUNIT_ASSERT_EQUAL( VR_OK, obj.AccumulateLine("SURFACE_SPECIES") );
CPPUNIT_ASSERT_EQUAL( VR_OK, obj.AccumulateLine(" Surfa = Surfa") );
CPPUNIT_ASSERT_EQUAL( VR_OK, obj.AccumulateLine(" log_k 0") );
CPPUNIT_ASSERT_EQUAL( VR_OK, obj.AccumulateLine(" Surfb = Surfb") );
CPPUNIT_ASSERT_EQUAL( VR_OK, obj.AccumulateLine(" log_k 0") );
CPPUNIT_ASSERT_EQUAL( VR_OK, obj.AccumulateLine(" Surfa + Zn+2 = SurfaZn+2") );
CPPUNIT_ASSERT_EQUAL( VR_OK, obj.AccumulateLine(" log_k 5.") );
CPPUNIT_ASSERT_EQUAL( VR_OK, obj.AccumulateLine(" Surfb + Zn+2 = SurfbZn+2") );
CPPUNIT_ASSERT_EQUAL( VR_OK, obj.AccumulateLine(" log_k 6.") );
CPPUNIT_ASSERT_EQUAL( VR_OK, obj.AccumulateLine(" Surfa + Cu+2 = SurfaCu+2") );
CPPUNIT_ASSERT_EQUAL( VR_OK, obj.AccumulateLine(" log_k 4.5") );
CPPUNIT_ASSERT_EQUAL( VR_OK, obj.AccumulateLine(" Surfb + Cu+2 = SurfbCu+2") );
CPPUNIT_ASSERT_EQUAL( VR_OK, obj.AccumulateLine(" log_k 6.5") );
CPPUNIT_ASSERT_EQUAL( VR_OK, obj.AccumulateLine("SOLUTION 1") );
CPPUNIT_ASSERT_EQUAL( VR_OK, obj.AccumulateLine(" pH 8") );
CPPUNIT_ASSERT_EQUAL( VR_OK, obj.AccumulateLine(" units mol/kgw") );
CPPUNIT_ASSERT_EQUAL( VR_OK, obj.AccumulateLine(" Fe(3) 1e-2") );
CPPUNIT_ASSERT_EQUAL( VR_OK, obj.AccumulateLine(" Zn 1e-4") );
CPPUNIT_ASSERT_EQUAL( VR_OK, obj.AccumulateLine(" Cu 1e-5") );
CPPUNIT_ASSERT_EQUAL( VR_OK, obj.AccumulateLine(" Na 1e-1") );
CPPUNIT_ASSERT_EQUAL( VR_OK, obj.AccumulateLine(" Cl 1e-1") );
CPPUNIT_ASSERT_EQUAL( VR_OK, obj.AccumulateLine("EQUILIBRIUM_PHASES 1") );
CPPUNIT_ASSERT_EQUAL( VR_OK, obj.AccumulateLine(" Fe(OH)3(a) 0 0") );
CPPUNIT_ASSERT_EQUAL( VR_OK, obj.AccumulateLine("SELECTED_OUTPUT") );
CPPUNIT_ASSERT_EQUAL( VR_OK, obj.AccumulateLine("USER_PUNCH") );
CPPUNIT_ASSERT_EQUAL( VR_OK, obj.AccumulateLine(" -headings Hfo-Zn Surfa-Zn Surfb-Zn Surfa-Cu Surfb-Cu") );
CPPUNIT_ASSERT_EQUAL( VR_OK, obj.AccumulateLine("-start") );
CPPUNIT_ASSERT_EQUAL( VR_OK, obj.AccumulateLine("10 PUNCH SURF(\"Zn\",\"Hfo\")") );
CPPUNIT_ASSERT_EQUAL( VR_OK, obj.AccumulateLine("20 PUNCH SURF(\"Zn\",\"Surfa\")") );
CPPUNIT_ASSERT_EQUAL( VR_OK, obj.AccumulateLine("30 PUNCH SURF(\"Zn\",\"Surfb\")") );
CPPUNIT_ASSERT_EQUAL( VR_OK, obj.AccumulateLine("40 PUNCH SURF(\"Cu\",\"Surfa\")") );
CPPUNIT_ASSERT_EQUAL( VR_OK, obj.AccumulateLine("50 PUNCH SURF(\"Cu\",\"Surfb\")") );
CPPUNIT_ASSERT_EQUAL( VR_OK, obj.AccumulateLine("-end") );
CPPUNIT_ASSERT_EQUAL( VR_OK, obj.AccumulateLine("SURFACE 1") );
CPPUNIT_ASSERT_EQUAL( VR_OK, obj.AccumulateLine(" Hfo_sOH Fe(OH)3(a) equilibrium_phase 0.005 53300") );
CPPUNIT_ASSERT_EQUAL( VR_OK, obj.AccumulateLine(" Hfo_wOH Fe(OH)3(a) equilibrium_phase 0.2") );
CPPUNIT_ASSERT_EQUAL( VR_OK, obj.AccumulateLine(" Surfa 0.2 100. 2") );
CPPUNIT_ASSERT_EQUAL( VR_OK, obj.AccumulateLine(" Surfb 0.1 100. 1") );
CPPUNIT_ASSERT_EQUAL( VR_OK, obj.AccumulateLine("END") );
obj.SetOutputStringOn(true);
obj.SetOutputFileOn(false);
obj.SetErrorFileOn(false);
obj.SetLogFileOn(false);
obj.SetSelectedOutputFileOn(false);
obj.SetDumpStringOn(false);
obj.SetDumpFileOn(false);
CPPUNIT_ASSERT_EQUAL( 0, obj.RunAccumulated() );
CPPUNIT_ASSERT_EQUAL(13, obj.GetSelectedOutputColumnCount());
CPPUNIT_ASSERT_EQUAL(3, obj.GetSelectedOutputRowCount());
CVar v;
const int offset = 8;
CPPUNIT_ASSERT_EQUAL(VR_OK, obj.GetSelectedOutputValue(0, offset + 0, &v));
CPPUNIT_ASSERT_EQUAL(TT_STRING, v.type);
CPPUNIT_ASSERT_EQUAL(std::string("Hfo-Zn"), std::string(v.sVal));
CPPUNIT_ASSERT_EQUAL(VR_OK, obj.GetSelectedOutputValue(0, offset + 1, &v));
CPPUNIT_ASSERT_EQUAL(TT_STRING, v.type);
CPPUNIT_ASSERT_EQUAL(std::string("Surfa-Zn"), std::string(v.sVal));
CPPUNIT_ASSERT_EQUAL(VR_OK, obj.GetSelectedOutputValue(0, offset + 2, &v));
CPPUNIT_ASSERT_EQUAL(TT_STRING, v.type);
CPPUNIT_ASSERT_EQUAL(std::string("Surfb-Zn"), std::string(v.sVal));
CPPUNIT_ASSERT_EQUAL(VR_OK, obj.GetSelectedOutputValue(0, offset + 3, &v));
CPPUNIT_ASSERT_EQUAL(TT_STRING, v.type);
CPPUNIT_ASSERT_EQUAL(std::string("Surfa-Cu"), std::string(v.sVal));
CPPUNIT_ASSERT_EQUAL(VR_OK, obj.GetSelectedOutputValue(0, offset + 4, &v));
CPPUNIT_ASSERT_EQUAL(TT_STRING, v.type);
CPPUNIT_ASSERT_EQUAL(std::string("Surfb-Cu"), std::string(v.sVal));
CPPUNIT_ASSERT_EQUAL(VR_OK, obj.GetSelectedOutputValue(1, offset + 0, &v));
CPPUNIT_ASSERT_EQUAL(TT_DOUBLE, v.type);
CPPUNIT_ASSERT_DOUBLES_EQUAL( 0.0, v.dVal, ::pow(10., -FLT_DIG) );
CPPUNIT_ASSERT_EQUAL(VR_OK, obj.GetSelectedOutputValue(1, offset + 1, &v));
CPPUNIT_ASSERT_EQUAL(TT_DOUBLE, v.type);
CPPUNIT_ASSERT_DOUBLES_EQUAL( 0.0, v.dVal, ::pow(10., -FLT_DIG) );
CPPUNIT_ASSERT_EQUAL(VR_OK, obj.GetSelectedOutputValue(1, offset + 2, &v));
CPPUNIT_ASSERT_EQUAL(TT_DOUBLE, v.type);
CPPUNIT_ASSERT_DOUBLES_EQUAL( 0.0, v.dVal, ::pow(10., -FLT_DIG) );
CPPUNIT_ASSERT_EQUAL(VR_OK, obj.GetSelectedOutputValue(1, offset + 3, &v));
CPPUNIT_ASSERT_EQUAL(TT_DOUBLE, v.type);
CPPUNIT_ASSERT_DOUBLES_EQUAL( 0.0, v.dVal, ::pow(10., -FLT_DIG) );
CPPUNIT_ASSERT_EQUAL(VR_OK, obj.GetSelectedOutputValue(1, offset + 4, &v));
CPPUNIT_ASSERT_EQUAL(TT_DOUBLE, v.type);
CPPUNIT_ASSERT_DOUBLES_EQUAL( 0.0, v.dVal, ::pow(10., -FLT_DIG) );
CPPUNIT_ASSERT_EQUAL(VR_OK, obj.GetSelectedOutputValue(2, offset + 0, &v));
CPPUNIT_ASSERT_EQUAL(TT_DOUBLE, v.type);
CPPUNIT_ASSERT_DOUBLES_EQUAL( 6.3861e-005, v.dVal, ::pow(10., -FLT_DIG) );
CPPUNIT_ASSERT_EQUAL(VR_OK, obj.GetSelectedOutputValue(2, offset + 1, &v));
CPPUNIT_ASSERT_EQUAL(TT_DOUBLE, v.type);
CPPUNIT_ASSERT_DOUBLES_EQUAL( 1.7868e-005, v.dVal, ::pow(10., -FLT_DIG) );
CPPUNIT_ASSERT_EQUAL(VR_OK, obj.GetSelectedOutputValue(2, offset + 2, &v));
CPPUNIT_ASSERT_EQUAL(TT_DOUBLE, v.type);
CPPUNIT_ASSERT_DOUBLES_EQUAL( 1.8248e-005, v.dVal, ::pow(10., -FLT_DIG) );
CPPUNIT_ASSERT_EQUAL(VR_OK, obj.GetSelectedOutputValue(2, offset + 3, &v));
CPPUNIT_ASSERT_EQUAL(TT_DOUBLE, v.type);
CPPUNIT_ASSERT_DOUBLES_EQUAL( 4.6216e-009, v.dVal, ::pow(10., -FLT_DIG) );
CPPUNIT_ASSERT_EQUAL(VR_OK, obj.GetSelectedOutputValue(2, offset + 4, &v));
CPPUNIT_ASSERT_EQUAL(TT_DOUBLE, v.type);
CPPUNIT_ASSERT_DOUBLES_EQUAL( 4.7201e-008, v.dVal, ::pow(10., -FLT_DIG) );
}
#include <time.h>
void TestIPhreeqc::TestCErrorReporter(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(0);
obj.SetErrorFileOn(0);
obj.SetLogFileOn(0);
obj.SetSelectedOutputFileOn(0);
obj.SetDumpFileOn(0);
CPPUNIT_ASSERT_EQUAL(0, obj.RunAccumulated());
//clock_t t0 = clock();
int nrows = obj.GetSelectedOutputRowCount();
int ncols = obj.GetSelectedOutputColumnCount();
CVar var;
for (int c = 0; c < 4000; ++c)
{
for (int row = 0; row < nrows; ++row)
{
for (int col = 0; col < ncols; ++col)
{
CPPUNIT_ASSERT_EQUAL(VR_OK, obj.GetSelectedOutputValue(row, col, &var));
}
}
}
//clock_t t = clock();
//printf("\ntime = %g\n", double(t - t0));
}
void TestIPhreeqc::TestDelete(void)
{
const char input[] =
"SOLUTION 1 # definition of intial condition 1\n"
"COPY cell 1 7405 # copy cell 1 to placeholder cell with index larger than the number of cells in the model domain\n"
"END\n"
"DELETE # delete initial condition 1 to allow for a redefinition of all reactions\n"
"-cell 1\n"
"END\n"
"# define other initial conditions and copy to another placeholder cell\n"
"\n"
"COPY cell 7405 1 # copy back from placeholder cell to domain cell 1\n"
"END\n"
"MIX 1 # mix according to initial moisture content\n"
" 1 0.25\n"
"END\n"
"RUN_CELLS\n"
"-cells 1\n"
"-start_time 0\n"
"-time_step 0\n"
"DELETE # remove mix reaction in subsequent runs\n"
"-mix 1\n"
"END\n"
"RUN_CELLS\n"
"-cells 1\n";
IPhreeqc obj;
char OUTPUT_FILE[80];
sprintf(OUTPUT_FILE, "phreeqc.%lu.out", (unsigned long)obj.Index);
if (::FileExists(OUTPUT_FILE))
{
CPPUNIT_ASSERT(::DeleteFile(OUTPUT_FILE));
}
CPPUNIT_ASSERT_EQUAL(false, ::FileExists(OUTPUT_FILE));
CPPUNIT_ASSERT_EQUAL(0, obj.LoadDatabase("phreeqc.dat"));
obj.SetOutputFileOn(0);
obj.SetErrorFileOn(0);
obj.SetLogFileOn(0);
obj.SetSelectedOutputFileOn(0);
obj.SetDumpFileOn(0);
CPPUNIT_ASSERT_EQUAL(false, ::FileExists(OUTPUT_FILE));
CPPUNIT_ASSERT_EQUAL(0, obj.RunString(input));
CPPUNIT_ASSERT_EQUAL(false, ::FileExists(OUTPUT_FILE));
if (::FileExists(OUTPUT_FILE))
{
CPPUNIT_ASSERT(::DeleteFile(OUTPUT_FILE));
}
}
void TestIPhreeqc::TestRunFileMultiPunchOn(void)
{
FileTest set1("multi_punch_1.sel");
CPPUNIT_ASSERT( set1.RemoveExisting() );
FileTest set2("multi_punch_2.sel");
CPPUNIT_ASSERT( set2.RemoveExisting() );
FileTest set3("multi_punch_3.sel");
CPPUNIT_ASSERT( set3.RemoveExisting() );
IPhreeqc obj;
CPPUNIT_ASSERT_EQUAL(0, obj.LoadDatabase("../database/phreeqc.dat"));
obj.SetSelectedOutputFileOn(true);
CPPUNIT_ASSERT_EQUAL(0, obj.RunFile("multi_punch"));
CPPUNIT_ASSERT( set1.VerifyExists() );
CPPUNIT_ASSERT( set2.VerifyExists() );
CPPUNIT_ASSERT( set3.VerifyExists() );
}
void TestIPhreeqc::TestRunFileMultiPunchOff(void)
{
FileTest set1("multi_punch_1.sel");
CPPUNIT_ASSERT( set1.RemoveExisting() );
FileTest set2("multi_punch_2.sel");
CPPUNIT_ASSERT( set2.RemoveExisting() );
FileTest set3("multi_punch_3.sel");
CPPUNIT_ASSERT( set3.RemoveExisting() );
IPhreeqc obj;
CPPUNIT_ASSERT_EQUAL(0, obj.LoadDatabase("../database/phreeqc.dat"));
obj.SetOutputFileOn(false);
obj.SetErrorFileOn(false);
obj.SetLogFileOn(false);
obj.SetSelectedOutputFileOn(false);
obj.SetDumpFileOn(false);
CPPUNIT_ASSERT_EQUAL(0, obj.RunFile("multi_punch"));
CPPUNIT_ASSERT( set1.VerifyMissing() );
CPPUNIT_ASSERT( set2.VerifyMissing() );
CPPUNIT_ASSERT( set3.VerifyMissing() );
}
void TestIPhreeqc::TestRunFileMultiPunchSet(void)
{
FileTest called("XXX.sel");
CPPUNIT_ASSERT( called.RemoveExisting() );
FileTest set1("multi_punch_1.sel");
CPPUNIT_ASSERT( set1.RemoveExisting() );
FileTest set2("multi_punch_2.sel");
CPPUNIT_ASSERT( set2.RemoveExisting() );
FileTest set3("multi_punch_3.sel");
CPPUNIT_ASSERT( set3.RemoveExisting() );
IPhreeqc obj;
CPPUNIT_ASSERT_EQUAL(0, obj.LoadDatabase("../database/phreeqc.dat"));
obj.SetSelectedOutputFileOn(true);
obj.SetSelectedOutputFileName(called.GetName().c_str());
CPPUNIT_ASSERT_EQUAL(0, obj.RunFile("multi_punch"));
CPPUNIT_ASSERT( called.VerifyMissing() );
CPPUNIT_ASSERT( set1.VerifyExists() );
CPPUNIT_ASSERT( set2.VerifyExists() );
CPPUNIT_ASSERT( set3.VerifyExists() );
}
void TestIPhreeqc::TestRunFileMultiPunchNoSet(void)
{
IPhreeqc obj;
FileTest set("XXX.sel");
CPPUNIT_ASSERT( set.RemoveExisting() );
FileTest unset1(obj.sel_file_name(1));
CPPUNIT_ASSERT( unset1.RemoveExisting() );
FileTest unset2(obj.sel_file_name(2));
CPPUNIT_ASSERT( unset2.RemoveExisting() );
FileTest unset3(obj.sel_file_name(3));
CPPUNIT_ASSERT( unset3.RemoveExisting() );
CPPUNIT_ASSERT_EQUAL(0, obj.LoadDatabase("../database/phreeqc.dat"));
obj.SetSelectedOutputFileOn(true);
obj.SetSelectedOutputFileName(set.GetName().c_str());
CPPUNIT_ASSERT_EQUAL(0, obj.RunFile("multi_punch_no_set"));
CPPUNIT_ASSERT( set.VerifyExists() );
CPPUNIT_ASSERT( !unset1.VerifyExists() );
CPPUNIT_ASSERT( unset2.VerifyExists() );
CPPUNIT_ASSERT( unset3.VerifyExists() );
}
void TestIPhreeqc::TestMultiPunchSelectedOutputStringOn(void)
{
IPhreeqc obj;
CPPUNIT_ASSERT_EQUAL(0, obj.LoadDatabase("../database/phreeqc.dat"));
obj.SetSelectedOutputStringOn(true);
CPPUNIT_ASSERT_EQUAL(0, obj.RunFile("multi_punch"));
CPPUNIT_ASSERT_EQUAL(6, obj.GetSelectedOutputStringLineCount());
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(0), "sim\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(0), "state\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(0), "soln\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(0), "dist_x\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(0), "time\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(0), "step\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(0), "pH\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(0), "pe\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(0), "reaction\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(0), "temp\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(0), "Alk\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(0), "mu\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(0), "mass_H2O\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(0), "charge\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(0), "pct_err\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(0), "Na\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(0), "Ca\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(0), "m_Na+\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(0), "m_HCO3-\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(0), "la_Ca+2\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(0), "la_CO3-2\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(0), "CO2(g)\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(0), "d_CO2(g)\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(0), "dolomite\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(0), "d_dolomite\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(0), "si_Halite\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(0), "pressure\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(0), "total mol\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(0), "volume\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(0), "g_N2(g)\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(0), "k_Calcite\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(0), "dk_Calcite\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(0), "s_Anhydrite\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(0), "s_Barite\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(0), "V_TOTAL_C\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(1), " 8\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(2), " 10\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(3), " 11\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(4), " 12\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(5), " 14\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(1), "react\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(2), "react\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(3), "i_soln\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(4), "i_soln\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(5), "react\t") != NULL );
obj.SetCurrentSelectedOutputUserNumber(2);
CPPUNIT_ASSERT_EQUAL(9, obj.GetSelectedOutputStringLineCount());
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(0), "si_Halite\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(0), "si_Calcite\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(2), "Dummy1\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(2), "Dummy2\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(3), "Dummy1\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(3), "Dummy2\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(4), "Dummy1\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(4), "Dummy2\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(5), "Dummy1\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(5), "Dummy2\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(6), "Sum_resid\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(6), "Sum_Delta/U\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(6), "MaxFracErr\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(6), "Soln_2\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(6), "Soln_2_min\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(6), "Soln_2_max\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(6), "Soln_3\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(6), "Soln_3_min\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(6), "Soln_3_max\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(6), "Halite\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(6), "Halite_max\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(8), "Dummy1\t") != NULL );
CPPUNIT_ASSERT( ::strstr(obj.GetSelectedOutputStringLine(8), "Dummy2\t") != NULL );
}
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