#include "TestInterface.h" #if defined(_WIN32) || defined(__CYGWIN32__) #include #else int DeleteFile(const char* szPathName) { if (remove(szPathName) == 0) { return 1; } return 0; // failure } #endif #include "../include/IPhreeqc.h" #include "../src/CVar.hxx" #include "../src/phreeqcns.hxx" #include #include #include bool FileExists(const char *szPathName); VRESULT SOLUTION(double C, double Ca, double Na); VRESULT EQUILIBRIUM_PHASES(const char* phase, double si, double amount); VRESULT USER_PUNCH(const char* element, int max); void TestOnOff(const char* FILENAME, int output_on, int error_on, int log_on, int selected_output_on); TestInterface::TestInterface() { } TestInterface::~TestInterface() { } void TestInterface::TestLoadDatabase() { CPPUNIT_ASSERT_EQUAL(0, ::LoadDatabase("phreeqc.dat")); } void TestInterface::TestLoadDatabaseMissingFile() { CPPUNIT_ASSERT_EQUAL(false, ::FileExists("missing.file")); CPPUNIT_ASSERT_EQUAL(1, ::LoadDatabase("missing.file")); CPPUNIT_ASSERT_EQUAL(1, ::LoadDatabase("missing.file")); CPPUNIT_ASSERT_EQUAL(1, ::LoadDatabase("missing.file")); const char expected[] = "ERROR: LoadDatabase: Unable to open:\"missing.file\".\n" "Stopping.\n"; const char* err = ::GetLastErrorString(); CPPUNIT_ASSERT_EQUAL( std::string(expected), std::string(err) ); } void TestInterface::TestLoadDatabaseWithErrors() { for (int i = 0; i < 5; ++i) { CPPUNIT_ASSERT_EQUAL(6, ::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" "Stopping.\n"; const char* err = ::GetLastErrorString(); CPPUNIT_ASSERT_EQUAL( std::string(expected), std::string(err) ); } } void TestInterface::TestRun() { int files_on = 0; CPPUNIT_ASSERT_EQUAL(0, ::LoadDatabase("phreeqc.dat")); CPPUNIT_ASSERT_EQUAL(VR_OK, ::AccumulateLine("solution 12")); CPPUNIT_ASSERT_EQUAL(0, ::Run(files_on, files_on, files_on, files_on)); } void TestInterface::TestRunWithErrors() { const char dump_file[] = "error.inp"; // remove dump file if it exists // if (::FileExists(dump_file)) { CPPUNIT_ASSERT(::DeleteFile(dump_file)); } int files_on = 0; CPPUNIT_ASSERT_EQUAL(0, ::LoadDatabase("phreeqc.dat")); CPPUNIT_ASSERT_EQUAL(VR_OK, ::AccumulateLine("SOLUTION 1")); CPPUNIT_ASSERT_EQUAL(VR_OK, ::AccumulateLine(" pH 7")); CPPUNIT_ASSERT_EQUAL(VR_OK, ::AccumulateLine(" Na 1")); CPPUNIT_ASSERT_EQUAL(VR_OK, ::AccumulateLine("PHASES")); CPPUNIT_ASSERT_EQUAL(VR_OK, ::AccumulateLine(" Fix_H+")); CPPUNIT_ASSERT_EQUAL(VR_OK, ::AccumulateLine(" H+ = H+")); CPPUNIT_ASSERT_EQUAL(VR_OK, ::AccumulateLine(" log_k 0")); CPPUNIT_ASSERT_EQUAL(VR_OK, ::AccumulateLine("EQUILIBRIUM_PHASES")); CPPUNIT_ASSERT_EQUAL(VR_OK, ::AccumulateLine(" Fix_H+ -10 HCl 10")); CPPUNIT_ASSERT_EQUAL(VR_OK, ::AccumulateLine("END")); CPPUNIT_ASSERT_EQUAL(1, ::Run(files_on, files_on, files_on, files_on)); const char expected[] = "ERROR: Numerical method failed on all combinations of convergence parameters\n" "Stopping.\n"; const char* err = ::GetLastErrorString(); CPPUNIT_ASSERT_EQUAL( std::string(expected), std::string(err) ); CPPUNIT_ASSERT_EQUAL( true, ::FileExists(dump_file) ); CPPUNIT_ASSERT(::DeleteFile(dump_file)); } void TestInterface::TestRunFile() { const char dump_file[] = "error.inp"; // remove dump file if it exists // if (::FileExists(dump_file)) { CPPUNIT_ASSERT(::DeleteFile(dump_file)); } CPPUNIT_ASSERT_EQUAL(0, ::LoadDatabase("phreeqc.dat")); CPPUNIT_ASSERT_EQUAL(1, ::RunFile("conv_fail.in", 0, 0, 0, 0)); const char expected[] = "ERROR: Numerical method failed on all combinations of convergence parameters\n" "Stopping.\n"; const char* err = ::GetLastErrorString(); CPPUNIT_ASSERT_EQUAL( std::string(expected), std::string(err) ); CPPUNIT_ASSERT_EQUAL( true, ::FileExists(dump_file) ); CPPUNIT_ASSERT(::DeleteFile(dump_file)); } void TestInterface::TestGetSelectedOutputRowCount() { CPPUNIT_ASSERT_EQUAL(0, ::LoadDatabase("llnl.dat")); int max = 6; CPPUNIT_ASSERT_EQUAL(VR_OK, SOLUTION(1.0, 1.0, 1.0)); CPPUNIT_ASSERT_EQUAL(VR_OK, EQUILIBRIUM_PHASES("calcite", 0.0, 0.010)); CPPUNIT_ASSERT_EQUAL(VR_OK, USER_PUNCH("Ca", max)); CPPUNIT_ASSERT_EQUAL(0, ::Run(0, 0, 0, 1)); //// CPPUNIT_ASSERT_EQUAL(0, ::Run(1, 1, 1, 1)); CPPUNIT_ASSERT_EQUAL(3, ::GetSelectedOutputRowCount()); // rows + header } void TestInterface::TestGetSelectedOutputValue() { int col; CPPUNIT_ASSERT_EQUAL(0, ::LoadDatabase("llnl.dat")); int max = 6; CPPUNIT_ASSERT_EQUAL(VR_OK, SOLUTION(1.0, 1.0, 1.0)); CPPUNIT_ASSERT_EQUAL(VR_OK, EQUILIBRIUM_PHASES("calcite", 0.0, 0.010)); CPPUNIT_ASSERT_EQUAL(VR_OK, USER_PUNCH("Ca", max)); CPPUNIT_ASSERT_EQUAL(0, ::Run(0, 0, 0, 0)); /* 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, ::GetSelectedOutputValue(-1, 0, &v)); CPPUNIT_ASSERT_EQUAL(TT_ERROR, v.type); CPPUNIT_ASSERT_EQUAL(VR_INVALIDROW, v.vresult); CPPUNIT_ASSERT_EQUAL(VR_INVALIDROW, ::GetSelectedOutputValue(::GetSelectedOutputRowCount(), 0, &v)); CPPUNIT_ASSERT_EQUAL(TT_ERROR, v.type); CPPUNIT_ASSERT_EQUAL(VR_INVALIDROW, v.vresult); CPPUNIT_ASSERT_EQUAL(VR_INVALIDCOL, ::GetSelectedOutputValue(0, -1, &v)); CPPUNIT_ASSERT_EQUAL(TT_ERROR, v.type); CPPUNIT_ASSERT_EQUAL(VR_INVALIDCOL, v.vresult); CPPUNIT_ASSERT_EQUAL(VR_INVALIDCOL, ::GetSelectedOutputValue(0, ::GetSelectedOutputColumnCount(), &v)); CPPUNIT_ASSERT_EQUAL(TT_ERROR, v.type); CPPUNIT_ASSERT_EQUAL(VR_INVALIDCOL, v.vresult); CPPUNIT_ASSERT( ::GetSelectedOutputValue(0, 0, &v) == VR_OK ); CPPUNIT_ASSERT( v.type == TT_STRING ); CPPUNIT_ASSERT_EQUAL( std::string("sim"), std::string(v.sVal)); CPPUNIT_ASSERT( ::GetSelectedOutputValue(0, 1, &v) == VR_OK ); CPPUNIT_ASSERT( v.type == TT_STRING ); CPPUNIT_ASSERT_EQUAL( std::string("state"), std::string(v.sVal)); CPPUNIT_ASSERT( ::GetSelectedOutputValue(0, 2, &v) == VR_OK ); CPPUNIT_ASSERT( v.type == TT_STRING ); CPPUNIT_ASSERT_EQUAL( std::string("soln"), std::string(v.sVal)); CPPUNIT_ASSERT( ::GetSelectedOutputValue(0, 3, &v) == VR_OK ); CPPUNIT_ASSERT( v.type == TT_STRING ); CPPUNIT_ASSERT_EQUAL( std::string("dist_x"), std::string(v.sVal)); CPPUNIT_ASSERT( ::GetSelectedOutputValue(0, 4, &v) == VR_OK ); CPPUNIT_ASSERT( v.type == TT_STRING ); CPPUNIT_ASSERT_EQUAL( std::string("time"), std::string(v.sVal)); CPPUNIT_ASSERT( ::GetSelectedOutputValue(0, 5, &v) == VR_OK ); CPPUNIT_ASSERT( v.type == TT_STRING ); CPPUNIT_ASSERT_EQUAL( std::string("step"), std::string(v.sVal)); CPPUNIT_ASSERT( ::GetSelectedOutputValue(0, 6, &v) == VR_OK ); CPPUNIT_ASSERT( v.type == TT_STRING ); CPPUNIT_ASSERT_EQUAL( std::string("pH"), std::string(v.sVal)); CPPUNIT_ASSERT( ::GetSelectedOutputValue(0, 7, &v) == VR_OK ); CPPUNIT_ASSERT( v.type == TT_STRING ); CPPUNIT_ASSERT_EQUAL( std::string("pe"), std::string(v.sVal)); col = 7; // -totals C Ca Na ++col; CPPUNIT_ASSERT( ::GetSelectedOutputValue(0, col, &v) == VR_OK ); CPPUNIT_ASSERT( v.type == TT_STRING ); CPPUNIT_ASSERT_EQUAL( std::string("C(mol/kgw)"), std::string(v.sVal)); ++col; CPPUNIT_ASSERT( ::GetSelectedOutputValue(0, col, &v) == VR_OK ); CPPUNIT_ASSERT( v.type == TT_STRING ); CPPUNIT_ASSERT_EQUAL( std::string("Ca(mol/kgw)"), std::string(v.sVal)); ++col; CPPUNIT_ASSERT( ::GetSelectedOutputValue(0, col, &v) == VR_OK ); CPPUNIT_ASSERT( v.type == TT_STRING ); CPPUNIT_ASSERT_EQUAL( std::string("Na(mol/kgw)"), std::string(v.sVal)); // -molalities CO3-2 CaOH+ NaCO3- ++col; CPPUNIT_ASSERT( ::GetSelectedOutputValue(0, col, &v) == VR_OK ); CPPUNIT_ASSERT( v.type == TT_STRING ); CPPUNIT_ASSERT_EQUAL( std::string("m_CO3-2(mol/kgw)"), std::string(v.sVal)); ++col; CPPUNIT_ASSERT( ::GetSelectedOutputValue(0, col, &v) == VR_OK ); CPPUNIT_ASSERT( v.type == TT_STRING ); CPPUNIT_ASSERT_EQUAL( std::string("m_CaOH+(mol/kgw)"), std::string(v.sVal)); ++col; CPPUNIT_ASSERT( ::GetSelectedOutputValue(0, col, &v) == VR_OK ); CPPUNIT_ASSERT( v.type == TT_STRING ); CPPUNIT_ASSERT_EQUAL( std::string("m_NaCO3-(mol/kgw)"), std::string(v.sVal)); // -activities CO3-2 CaOH+ NaCO3- ++col; CPPUNIT_ASSERT( ::GetSelectedOutputValue(0, col, &v) == VR_OK ); CPPUNIT_ASSERT( v.type == TT_STRING ); CPPUNIT_ASSERT_EQUAL( std::string("la_CO3-2"), std::string(v.sVal)); ++col; CPPUNIT_ASSERT( ::GetSelectedOutputValue(0, col, &v) == VR_OK ); CPPUNIT_ASSERT( v.type == TT_STRING ); CPPUNIT_ASSERT_EQUAL( std::string("la_CaOH+"), std::string(v.sVal)); ++col; CPPUNIT_ASSERT( ::GetSelectedOutputValue(0, col, &v) == VR_OK ); CPPUNIT_ASSERT( v.type == TT_STRING ); CPPUNIT_ASSERT_EQUAL( std::string("la_NaCO3-"), std::string(v.sVal)); // -equilibrium_phases Calcite ++col; CPPUNIT_ASSERT( ::GetSelectedOutputValue(0, col, &v) == VR_OK ); CPPUNIT_ASSERT( v.type == TT_STRING ); CPPUNIT_ASSERT_EQUAL( std::string("Calcite"), std::string(v.sVal)); ++col; CPPUNIT_ASSERT( ::GetSelectedOutputValue(0, col, &v) == VR_OK ); CPPUNIT_ASSERT( v.type == TT_STRING ); CPPUNIT_ASSERT_EQUAL( std::string("d_Calcite"), std::string(v.sVal)); // -saturation_indices CO2(g) Siderite ++col; CPPUNIT_ASSERT( ::GetSelectedOutputValue(0, col, &v) == VR_OK ); CPPUNIT_ASSERT( v.type == TT_STRING ); CPPUNIT_ASSERT_EQUAL( std::string("si_CO2(g)"), std::string(v.sVal)); ++col; CPPUNIT_ASSERT( ::GetSelectedOutputValue(0, col, &v) == VR_OK ); CPPUNIT_ASSERT( v.type == TT_STRING ); 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( ::GetSelectedOutputValue(0, col, &v) == VR_OK ); CPPUNIT_ASSERT( v.type == TT_STRING ); CPPUNIT_ASSERT_EQUAL( std::string("pressure"), std::string(v.sVal)); ++col; CPPUNIT_ASSERT( ::GetSelectedOutputValue(0, col, &v) == VR_OK ); CPPUNIT_ASSERT( v.type == TT_STRING ); CPPUNIT_ASSERT_EQUAL( std::string("total mol"), std::string(v.sVal)); ++col; CPPUNIT_ASSERT( ::GetSelectedOutputValue(0, col, &v) == VR_OK ); CPPUNIT_ASSERT( v.type == TT_STRING ); CPPUNIT_ASSERT_EQUAL( std::string("volume"), std::string(v.sVal)); ++col; CPPUNIT_ASSERT( ::GetSelectedOutputValue(0, col, &v) == VR_OK ); CPPUNIT_ASSERT( v.type == TT_STRING ); CPPUNIT_ASSERT_EQUAL( std::string("g_CO2(g)"), std::string(v.sVal)); ++col; CPPUNIT_ASSERT( ::GetSelectedOutputValue(0, col, &v) == VR_OK ); CPPUNIT_ASSERT( v.type == TT_STRING ); 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( ::GetSelectedOutputValue(0, col, &v) == VR_OK ); CPPUNIT_ASSERT( v.type == TT_STRING ); CPPUNIT_ASSERT_EQUAL( std::string("k_Albite"), std::string(v.sVal)); ++col; CPPUNIT_ASSERT( ::GetSelectedOutputValue(0, col, &v) == VR_OK ); CPPUNIT_ASSERT( v.type == TT_STRING ); CPPUNIT_ASSERT_EQUAL( std::string("dk_Albite"), std::string(v.sVal)); ++col; CPPUNIT_ASSERT( ::GetSelectedOutputValue(0, col, &v) == VR_OK ); CPPUNIT_ASSERT( v.type == TT_STRING ); CPPUNIT_ASSERT_EQUAL( std::string("k_Pyrite"), std::string(v.sVal)); ++col; CPPUNIT_ASSERT( ::GetSelectedOutputValue(0, col, &v) == VR_OK ); CPPUNIT_ASSERT( v.type == TT_STRING ); CPPUNIT_ASSERT_EQUAL( std::string("dk_Pyrite"), std::string(v.sVal)); // -solid_solutions CaSO4 SrSO4 // s_CaSO4 s_SrSO4 ++col; CPPUNIT_ASSERT( ::GetSelectedOutputValue(0, col, &v) == VR_OK ); CPPUNIT_ASSERT( v.type == TT_STRING ); CPPUNIT_ASSERT_EQUAL( std::string("s_CaSO4"), std::string(v.sVal)); ++col; CPPUNIT_ASSERT( ::GetSelectedOutputValue(0, col, &v) == VR_OK ); CPPUNIT_ASSERT( v.type == TT_STRING ); 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( ::GetSelectedOutputValue(0, col + 1 + (i*3) , &v) == VR_OK ); CPPUNIT_ASSERT( v.type == TT_STRING ); oss1 << i + 1 << ".name"; CPPUNIT_ASSERT_EQUAL( oss1.str(), std::string(v.sVal)); // 1.type // CPPUNIT_ASSERT( ::GetSelectedOutputValue(0, col + 2 + (i*3), &v) == VR_OK ); CPPUNIT_ASSERT( v.type == TT_STRING ); oss2 << i + 1 << ".type"; CPPUNIT_ASSERT_EQUAL( oss2.str(), std::string(v.sVal)); // 1.moles // CPPUNIT_ASSERT( ::GetSelectedOutputValue(0, col + 3 + (i*3), &v) == VR_OK ); CPPUNIT_ASSERT( v.type == TT_STRING ); oss3 << i + 1 << ".moles"; CPPUNIT_ASSERT_EQUAL( oss3.str(), std::string(v.sVal)); } // sim // col = 0; // i_soln CPPUNIT_ASSERT( ::GetSelectedOutputValue(1, col, &v) == VR_OK ); CPPUNIT_ASSERT( v.type == TT_LONG ); CPPUNIT_ASSERT_EQUAL( 1L, v.lVal ); // react CPPUNIT_ASSERT( ::GetSelectedOutputValue(2, col, &v) == VR_OK ); CPPUNIT_ASSERT( v.type == TT_LONG ); CPPUNIT_ASSERT_EQUAL( 1L, v.lVal ); // state // ++col; // i_soln CPPUNIT_ASSERT( ::GetSelectedOutputValue(1, col, &v) == VR_OK ); CPPUNIT_ASSERT( v.type == TT_STRING ); CPPUNIT_ASSERT_EQUAL( std::string("i_soln"), std::string(v.sVal) ); // react CPPUNIT_ASSERT( ::GetSelectedOutputValue(2, col, &v) == VR_OK ); CPPUNIT_ASSERT( v.type == TT_STRING ); CPPUNIT_ASSERT_EQUAL( std::string("react"), std::string(v.sVal) ); // soln // ++col; // i_soln CPPUNIT_ASSERT( ::GetSelectedOutputValue(1, col, &v) == VR_OK ); CPPUNIT_ASSERT( v.type == TT_LONG ); CPPUNIT_ASSERT_EQUAL( 1L, v.lVal ); // react CPPUNIT_ASSERT( ::GetSelectedOutputValue(2, col, &v) == VR_OK ); CPPUNIT_ASSERT( v.type == TT_LONG ); CPPUNIT_ASSERT_EQUAL( 1L, v.lVal ); // dist_x -- sometimes as double sometimes as long (depends on state) // ++col; // i_soln CPPUNIT_ASSERT( ::GetSelectedOutputValue(1, col, &v) == VR_OK ); CPPUNIT_ASSERT( v.type == TT_LONG ); CPPUNIT_ASSERT_EQUAL( -99L, v.lVal ); // react CPPUNIT_ASSERT( ::GetSelectedOutputValue(2, col, &v) == VR_OK ); CPPUNIT_ASSERT( v.type == TT_LONG ); CPPUNIT_ASSERT_EQUAL( -99L, v.lVal ); // time -- sometimes as double sometimes as long (depends on state) // ++col; // i_soln CPPUNIT_ASSERT( ::GetSelectedOutputValue(1, col, &v) == VR_OK ); CPPUNIT_ASSERT( v.type == TT_LONG ); CPPUNIT_ASSERT_EQUAL( -99L, v.lVal ); // react CPPUNIT_ASSERT( ::GetSelectedOutputValue(2, col, &v) == VR_OK ); CPPUNIT_ASSERT( v.type == TT_DOUBLE ); CPPUNIT_ASSERT_DOUBLES_EQUAL( 0.0, v.dVal, ::pow(10., -DBL_DIG) ); // step // ++col; // i_soln CPPUNIT_ASSERT( ::GetSelectedOutputValue(1, col, &v) == VR_OK ); CPPUNIT_ASSERT( v.type == TT_LONG ); CPPUNIT_ASSERT( v.lVal == -99 ); // react CPPUNIT_ASSERT( ::GetSelectedOutputValue(2, col, &v) == VR_OK ); CPPUNIT_ASSERT( v.type == TT_LONG ); CPPUNIT_ASSERT( v.lVal == 1 ); // pH // ++col; // i_soln CPPUNIT_ASSERT( ::GetSelectedOutputValue(1, col, &v) == VR_OK ); CPPUNIT_ASSERT( v.type == TT_DOUBLE ); CPPUNIT_ASSERT_DOUBLES_EQUAL( 7.0, v.dVal, ::pow(10., -DBL_DIG) ); // react CPPUNIT_ASSERT( ::GetSelectedOutputValue(2, col, &v) == VR_OK ); CPPUNIT_ASSERT( v.type == TT_DOUBLE ); CPPUNIT_ASSERT_DOUBLES_EQUAL( 7.861354, v.dVal, ::pow(10., -6) ); // pe // ++col; // i_soln CPPUNIT_ASSERT( ::GetSelectedOutputValue(1, col, &v) == VR_OK ); CPPUNIT_ASSERT( v.type == TT_DOUBLE ); CPPUNIT_ASSERT_DOUBLES_EQUAL( 4.0, v.dVal, ::pow(10., -DBL_DIG) ); // react CPPUNIT_ASSERT( ::GetSelectedOutputValue(2, col, &v) == VR_OK ); CPPUNIT_ASSERT( v.type == TT_DOUBLE ); CPPUNIT_ASSERT_DOUBLES_EQUAL( 10.4, v.dVal, ::pow(10., -1) ); // // -totals C Ca Na // // C(mol/kgw) // ++col; // i_soln CPPUNIT_ASSERT( ::GetSelectedOutputValue(1, col, &v) == VR_OK ); CPPUNIT_ASSERT( v.type == TT_DOUBLE ); CPPUNIT_ASSERT_DOUBLES_EQUAL( 1.0000e-003, v.dVal, ::pow(10., -DBL_DIG) ); // react CPPUNIT_ASSERT( ::GetSelectedOutputValue(2, col, &v) == VR_OK ); CPPUNIT_ASSERT( v.type == TT_DOUBLE ); CPPUNIT_ASSERT_DOUBLES_EQUAL( 1.1556e-003, v.dVal, ::pow(10., -7) ); // Ca(mol/kgw) // ++col; // i_soln CPPUNIT_ASSERT( ::GetSelectedOutputValue(1, col, &v) == VR_OK ); CPPUNIT_ASSERT( v.type == TT_DOUBLE ); CPPUNIT_ASSERT_DOUBLES_EQUAL( 1.0000e-003, v.dVal, ::pow(10., -DBL_DIG) ); // react CPPUNIT_ASSERT( ::GetSelectedOutputValue(2, col, &v) == VR_OK ); CPPUNIT_ASSERT( v.type == TT_DOUBLE ); CPPUNIT_ASSERT_DOUBLES_EQUAL( 1.1556e-003, v.dVal, ::pow(10., -7) ); // Na(mol/kgw) // ++col; // i_soln CPPUNIT_ASSERT( ::GetSelectedOutputValue(1, col, &v) == VR_OK ); CPPUNIT_ASSERT( v.type == TT_DOUBLE ); CPPUNIT_ASSERT_DOUBLES_EQUAL( 1.0000e-003, v.dVal, ::pow(10., -DBL_DIG) ); // react CPPUNIT_ASSERT( ::GetSelectedOutputValue(2, col, &v) == VR_OK ); CPPUNIT_ASSERT( v.type == TT_DOUBLE ); 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( ::GetSelectedOutputValue(1, col, &v) == VR_OK ); CPPUNIT_ASSERT( v.type == TT_STRING ); CPPUNIT_ASSERT_EQUAL( std::string("Ca+2"), std::string(v.sVal)); // react CPPUNIT_ASSERT( ::GetSelectedOutputValue(2, col, &v) == VR_OK ); CPPUNIT_ASSERT( v.type == TT_STRING ); CPPUNIT_ASSERT_EQUAL( std::string("calcite"), std::string(v.sVal)); // 1.type // ++col; // i_soln CPPUNIT_ASSERT( ::GetSelectedOutputValue(1, col, &v) == VR_OK ); CPPUNIT_ASSERT( v.type == TT_STRING ); CPPUNIT_ASSERT_EQUAL( std::string("aq"), std::string(v.sVal)); // react CPPUNIT_ASSERT( ::GetSelectedOutputValue(2, col, &v) == VR_OK ); CPPUNIT_ASSERT( v.type == TT_STRING ); CPPUNIT_ASSERT_EQUAL( std::string("equi"), std::string(v.sVal)); // 1.moles // ++col; // i_soln CPPUNIT_ASSERT( ::GetSelectedOutputValue(1, col, &v) == VR_OK ); CPPUNIT_ASSERT( v.type == TT_DOUBLE ); CPPUNIT_ASSERT_DOUBLES_EQUAL( 9.9177923E-04, v.dVal, ::pow(10., -11) ); // react CPPUNIT_ASSERT( ::GetSelectedOutputValue(2, col, &v) == VR_OK ); CPPUNIT_ASSERT( v.type == TT_DOUBLE ); CPPUNIT_ASSERT_DOUBLES_EQUAL( 9.8444477E-03, v.dVal, ::pow(10., -10) ); // 2.name // ++col; // i_soln CPPUNIT_ASSERT( ::GetSelectedOutputValue(1, col, &v) == VR_OK ); CPPUNIT_ASSERT_EQUAL( TT_STRING, v.type ); CPPUNIT_ASSERT( v.type == TT_STRING ); CPPUNIT_ASSERT_EQUAL( std::string("CaHCO3+"), std::string(v.sVal)); // react CPPUNIT_ASSERT( ::GetSelectedOutputValue(2, col, &v) == VR_OK ); CPPUNIT_ASSERT( v.type == TT_STRING ); CPPUNIT_ASSERT_EQUAL( std::string("Ca+2"), std::string(v.sVal)); // 2.type // ++col; // i_soln CPPUNIT_ASSERT( ::GetSelectedOutputValue(1, col, &v) == VR_OK ); CPPUNIT_ASSERT( v.type == TT_STRING ); CPPUNIT_ASSERT_EQUAL( std::string("aq"), std::string(v.sVal)); // react CPPUNIT_ASSERT( ::GetSelectedOutputValue(2, col, &v) == VR_OK ); CPPUNIT_ASSERT( v.type == TT_STRING ); CPPUNIT_ASSERT_EQUAL( std::string("aq"), std::string(v.sVal)); // 2.moles // ++col; // i_soln CPPUNIT_ASSERT( ::GetSelectedOutputValue(1, col, &v) == VR_OK ); CPPUNIT_ASSERT( v.type == TT_DOUBLE ); CPPUNIT_ASSERT_DOUBLES_EQUAL( 7.5980e-006, v.dVal, ::pow(10., -10) ); // react CPPUNIT_ASSERT( ::GetSelectedOutputValue(2, col, &v) == VR_OK ); CPPUNIT_ASSERT( v.type == TT_DOUBLE ); CPPUNIT_ASSERT_DOUBLES_EQUAL( 1.1371e-003, v.dVal, ::pow(10., -7) ); // 3.name // ++col; // i_soln CPPUNIT_ASSERT( ::GetSelectedOutputValue(1, col, &v) == VR_OK ); CPPUNIT_ASSERT_EQUAL( TT_STRING, v.type ); CPPUNIT_ASSERT( v.type == TT_STRING ); CPPUNIT_ASSERT_EQUAL( std::string("CaCO3"), std::string(v.sVal)); // react CPPUNIT_ASSERT( ::GetSelectedOutputValue(2, col, &v) == VR_OK ); CPPUNIT_ASSERT( v.type == TT_STRING ); CPPUNIT_ASSERT_EQUAL( std::string("CaHCO3+"), std::string(v.sVal)); // 3.type // ++col; // i_soln CPPUNIT_ASSERT( ::GetSelectedOutputValue(1, col, &v) == VR_OK ); CPPUNIT_ASSERT( v.type == TT_STRING ); CPPUNIT_ASSERT_EQUAL( std::string("aq"), std::string(v.sVal)); // react CPPUNIT_ASSERT( ::GetSelectedOutputValue(2, col, &v) == VR_OK ); CPPUNIT_ASSERT( v.type == TT_STRING ); CPPUNIT_ASSERT_EQUAL( std::string("aq"), std::string(v.sVal)); // 3.moles // ++col; // i_soln CPPUNIT_ASSERT( ::GetSelectedOutputValue(1, col, &v) == VR_OK ); CPPUNIT_ASSERT( v.type == TT_DOUBLE ); CPPUNIT_ASSERT_DOUBLES_EQUAL( 6.2155e-007, v.dVal, ::pow(10., -11) ); // react CPPUNIT_ASSERT( ::GetSelectedOutputValue(2, col, &v) == VR_OK ); CPPUNIT_ASSERT( v.type == TT_DOUBLE ); CPPUNIT_ASSERT_DOUBLES_EQUAL( 1.1598e-005, v.dVal, ::pow(10., -9) ); // 4.name // ++col; // i_soln CPPUNIT_ASSERT( ::GetSelectedOutputValue(1, col, &v) == VR_OK ); CPPUNIT_ASSERT_EQUAL( TT_STRING, v.type ); CPPUNIT_ASSERT( v.type == TT_STRING ); CPPUNIT_ASSERT_EQUAL( std::string("CaOH+"), std::string(v.sVal)); // react CPPUNIT_ASSERT( ::GetSelectedOutputValue(2, col, &v) == VR_OK ); CPPUNIT_ASSERT( v.type == TT_STRING ); CPPUNIT_ASSERT_EQUAL( std::string("CaCO3"), std::string(v.sVal)); // 4.type // ++col; // i_soln CPPUNIT_ASSERT( ::GetSelectedOutputValue(1, col, &v) == VR_OK ); CPPUNIT_ASSERT( v.type == TT_STRING ); CPPUNIT_ASSERT_EQUAL( std::string("aq"), std::string(v.sVal)); // react CPPUNIT_ASSERT( ::GetSelectedOutputValue(2, col, &v) == VR_OK ); CPPUNIT_ASSERT( v.type == TT_STRING ); CPPUNIT_ASSERT_EQUAL( std::string("aq"), std::string(v.sVal)); // 4.moles // ++col; // i_soln CPPUNIT_ASSERT( ::GetSelectedOutputValue(1, col, &v) == VR_OK ); CPPUNIT_ASSERT( v.type == TT_DOUBLE ); CPPUNIT_ASSERT_DOUBLES_EQUAL( 1.1819e-009, v.dVal, ::pow(10., -13) ); // react CPPUNIT_ASSERT( ::GetSelectedOutputValue(2, col, &v) == VR_OK ); CPPUNIT_ASSERT( v.type == TT_DOUBLE ); CPPUNIT_ASSERT_DOUBLES_EQUAL( 6.8668e-006, v.dVal, ::pow(10., -10) ); // 5.name // ++col; // i_soln CPPUNIT_ASSERT( ::GetSelectedOutputValue(1, col, &v) == VR_OK ); CPPUNIT_ASSERT_EQUAL( TT_EMPTY, v.type ); // react CPPUNIT_ASSERT( ::GetSelectedOutputValue(2, col, &v) == VR_OK ); CPPUNIT_ASSERT( v.type == TT_STRING ); CPPUNIT_ASSERT_EQUAL( std::string("CaOH+"), std::string(v.sVal)); // 5.type // ++col; // i_soln CPPUNIT_ASSERT( ::GetSelectedOutputValue(1, col, &v) == VR_OK ); CPPUNIT_ASSERT( v.type == TT_EMPTY ); // react CPPUNIT_ASSERT( ::GetSelectedOutputValue(2, col, &v) == VR_OK ); CPPUNIT_ASSERT( v.type == TT_STRING ); CPPUNIT_ASSERT_EQUAL( std::string("aq"), std::string(v.sVal)); // 5.moles // ++col; // i_soln CPPUNIT_ASSERT( ::GetSelectedOutputValue(1, col, &v) == VR_OK ); CPPUNIT_ASSERT( v.type == TT_EMPTY ); // react CPPUNIT_ASSERT( ::GetSelectedOutputValue(2, col, &v) == VR_OK ); CPPUNIT_ASSERT( v.type == TT_DOUBLE ); CPPUNIT_ASSERT_DOUBLES_EQUAL( 9.7385e-009, v.dVal, ::pow(10., -13) ); // 6.name // ++col; // i_soln CPPUNIT_ASSERT( ::GetSelectedOutputValue(1, col, &v) == VR_OK ); CPPUNIT_ASSERT_EQUAL( TT_EMPTY, v.type ); // react CPPUNIT_ASSERT( ::GetSelectedOutputValue(2, col, &v) == VR_OK ); CPPUNIT_ASSERT_EQUAL( TT_EMPTY, v.type ); // 6.type // ++col; // i_soln CPPUNIT_ASSERT( ::GetSelectedOutputValue(1, col, &v) == VR_OK ); CPPUNIT_ASSERT( v.type == TT_EMPTY ); // react CPPUNIT_ASSERT( ::GetSelectedOutputValue(2, col, &v) == VR_OK ); CPPUNIT_ASSERT_EQUAL( TT_EMPTY, v.type ); // 6.moles // ++col; // i_soln CPPUNIT_ASSERT( ::GetSelectedOutputValue(1, col, &v) == VR_OK ); CPPUNIT_ASSERT( v.type == TT_EMPTY ); // react CPPUNIT_ASSERT( ::GetSelectedOutputValue(2, col, &v) == VR_OK ); CPPUNIT_ASSERT_EQUAL( TT_EMPTY, v.type ); } void TestInterface::TestGetSelectedOutputColumnCount() { CPPUNIT_ASSERT_EQUAL( 0, ::LoadDatabase("llnl.dat")); CPPUNIT_ASSERT_EQUAL( 0, ::GetSelectedOutputColumnCount() ); CPPUNIT_ASSERT_EQUAL( VR_OK, SOLUTION(1.0, 1.0, 1.0) ); CPPUNIT_ASSERT_EQUAL( VR_OK, EQUILIBRIUM_PHASES("calcite", 1.0, 1.0) ); CPPUNIT_ASSERT_EQUAL( VR_OK, USER_PUNCH("Ca", 10) ); CPPUNIT_ASSERT_EQUAL( 0, ::Run(0, 0, 0, 0) ); CPPUNIT_ASSERT_EQUAL( 62, ::GetSelectedOutputColumnCount() ); } void TestInterface::TestAddError() { CPPUNIT_ASSERT_EQUAL(0, ::LoadDatabase("phreeqc.dat")); // make sure initialized to empty // const char* err = ::GetLastErrorString(); CPPUNIT_ASSERT_EQUAL( std::string(""), std::string(err) ); // make sure initialized to empty // const char *expected = "TESTING AddError\n"; CPPUNIT_ASSERT_EQUAL(1u, ::AddError(expected)); // check 1 // err = ::GetLastErrorString(); CPPUNIT_ASSERT_EQUAL( std::string(expected), std::string(err) ); // check increment // const char *expected2 = "XXXXXX\n"; CPPUNIT_ASSERT_EQUAL(2u, ::AddError(expected2)); // check concatenation // err = ::GetLastErrorString(); CPPUNIT_ASSERT_EQUAL( std::string(expected) + std::string(expected2), std::string(err) ); // clear errors // CPPUNIT_ASSERT_EQUAL(0, ::LoadDatabase("phreeqc.dat")); // make sure back to empty // err = ::GetLastErrorString(); CPPUNIT_ASSERT_EQUAL( std::string(""), std::string(err) ); } void TestInterface::TestAccumulateLine() { // TODO } void TestInterface::TestOutputLastError() { // TODO } void TestInterface::TestRunWithCallback() { // TODO } void TestInterface::TestRunNoDatabaseLoaded() { UnLoadDatabase(); CPPUNIT_ASSERT_EQUAL( 1, ::Run(0, 0, 0, 0) ); const char expected[] = "ERROR: Run: No database is loaded\n" "Stopping.\n"; const char* err = ::GetLastErrorString(); CPPUNIT_ASSERT_EQUAL( std::string(expected), std::string(err) ); } void TestInterface::TestRunFileNoDatabaseLoaded() { UnLoadDatabase(); CPPUNIT_ASSERT_EQUAL( 1, ::RunFile("dummy", 0, 0, 0, 0) ); const char expected[] = "ERROR: RunFile: No database is loaded\n" "Stopping.\n"; const char* err = ::GetLastErrorString(); CPPUNIT_ASSERT_EQUAL( std::string(expected), std::string(err) ); } void TestInterface::TestCase1() { // Case 1 (see do_run) // pr.punch == TRUE // punch.new_def == FALSE // output_isopen(OUTPUT_PUNCH) == FALSE // selected_output_on == TRUE // 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, ::LoadDatabase("phreeqc.dat") ); CPPUNIT_ASSERT_EQUAL( FALSE, punch.in); CPPUNIT_ASSERT_EQUAL( TRUE, pr.punch); CPPUNIT_ASSERT_EQUAL( VR_OK, SOLUTION(1.0, 1.0, 1.0) ); CPPUNIT_ASSERT_EQUAL( VR_OK, USER_PUNCH("Ca", 10) ); CPPUNIT_ASSERT_EQUAL( 0, ::Run(0, 0, 0, 1) ); CPPUNIT_ASSERT_EQUAL( true, ::FileExists("selected.out") ); CPPUNIT_ASSERT_EQUAL( 62, ::GetSelectedOutputColumnCount() ); CPPUNIT_ASSERT_EQUAL( VR_OK, SOLUTION(1.0, 1.0, 1.0) ); CPPUNIT_ASSERT_EQUAL( 0, ::Run(0, 0, 0, 1) ); CPPUNIT_ASSERT_EQUAL( true, ::FileExists("selected.out") ); CPPUNIT_ASSERT_EQUAL( 62, ::GetSelectedOutputColumnCount() ); } void TestInterface::TestCase2() { // Case 2 (see do_run) // pr.punch == TRUE // punch.new_def == TRUE // output_isopen(OUTPUT_PUNCH) == FALSE // selected_output_on == TRUE // remove punch files if they exists // if (::FileExists("selected.out")) { ::DeleteFile("selected.out"); } if (::FileExists("case2.punch")) { ::DeleteFile("case2.punch"); } CPPUNIT_ASSERT_EQUAL( false, ::FileExists("selected.out") ); CPPUNIT_ASSERT_EQUAL( false, ::FileExists("case2.punch") ); // clear all flags CPPUNIT_ASSERT_EQUAL( 0, ::LoadDatabase("phreeqc.dat") ); CPPUNIT_ASSERT_EQUAL( FALSE, punch.in); CPPUNIT_ASSERT_EQUAL( TRUE, pr.punch); CPPUNIT_ASSERT_EQUAL( VR_OK, SOLUTION(1.0, 1.0, 1.0) ); CPPUNIT_ASSERT_EQUAL( VR_OK, USER_PUNCH("Ca", 10) ); CPPUNIT_ASSERT_EQUAL( VR_OK, ::AccumulateLine("-file case2.punch") ); // force have_punch_name to TRUE (see read_selected_ouput) CPPUNIT_ASSERT_EQUAL( 0, ::Run(0, 0, 0, 1) ); CPPUNIT_ASSERT_EQUAL( false, ::FileExists("selected.out") ); CPPUNIT_ASSERT_EQUAL( true, ::FileExists("case2.punch") ); CPPUNIT_ASSERT_EQUAL( 62, ::GetSelectedOutputColumnCount() ); // remove punch files if they exists // if (::FileExists("selected.out")) { ::DeleteFile("selected.out"); } if (::FileExists("case2.punch")) { ::DeleteFile("case2.punch"); } CPPUNIT_ASSERT_EQUAL( false, ::FileExists("selected.out") ); CPPUNIT_ASSERT_EQUAL( false, ::FileExists("case2.punch") ); CPPUNIT_ASSERT_EQUAL( VR_OK, SOLUTION(1.0, 1.0, 1.0) ); CPPUNIT_ASSERT_EQUAL( VR_OK, USER_PUNCH("Ca", 10) ); CPPUNIT_ASSERT_EQUAL( 0, ::Run(0, 0, 0, 1) ); CPPUNIT_ASSERT_EQUAL( false, ::FileExists("selected.out") ); CPPUNIT_ASSERT_EQUAL( true, ::FileExists("case2.punch") ); CPPUNIT_ASSERT_EQUAL( 62, ::GetSelectedOutputColumnCount() ); if (::FileExists("case2.punch")) { ::DeleteFile("case2.punch"); } CPPUNIT_ASSERT_EQUAL( false, ::FileExists("case2.punch") ); } void TestInterface::TestPrintSelectedOutputFalse() { // remove punch files if they exists // if (::FileExists("selected.out")) { ::DeleteFile("selected.out"); } CPPUNIT_ASSERT_EQUAL( false, ::FileExists("selected.out") ); CPPUNIT_ASSERT_EQUAL( 0, ::LoadDatabase("phreeqc.dat") ); // add solution block CPPUNIT_ASSERT_EQUAL( VR_OK, SOLUTION(1.0, 1.0, 1.0) ); // add selected output block { std::ostringstream oss; oss << "SELECTED_OUTPUT" << "\n"; oss << "-file selected.out" << "\n"; oss << "-totals C Ca Na" << "\n"; CPPUNIT_ASSERT_EQUAL( VR_OK, ::AccumulateLine(oss.str().c_str()) ); } // add selected output block CPPUNIT_ASSERT_EQUAL( VR_OK, ::AccumulateLine("PRINT; -selected_output false \n") ); // run CPPUNIT_ASSERT_EQUAL( 0, ::Run(0, 0, 0, 1) ); CPPUNIT_ASSERT_EQUAL( 0, ::GetSelectedOutputColumnCount() ); CPPUNIT_ASSERT_EQUAL( 0, ::GetSelectedOutputRowCount() ); // reset pr.punch to TRUE CPPUNIT_ASSERT_EQUAL( 0, ::LoadDatabase("phreeqc.dat") ); // add solution block CPPUNIT_ASSERT_EQUAL( VR_OK, SOLUTION(1.0, 1.0, 1.0) ); // add selected output block { std::ostringstream oss; oss << "SELECTED_OUTPUT" << "\n"; oss << "-file selected.out" << "\n"; oss << "-totals C Ca Na" << "\n"; CPPUNIT_ASSERT_EQUAL( VR_OK, ::AccumulateLine(oss.str().c_str()) ); } // run CPPUNIT_ASSERT_EQUAL( 0, ::Run(0, 0, 0, 1) ); CPPUNIT_ASSERT_EQUAL( 11, ::GetSelectedOutputColumnCount() ); CPPUNIT_ASSERT_EQUAL( 2, ::GetSelectedOutputRowCount() ); } void TestInterface::TestOutputOnOff() { int onoff[4]; onoff[0] = 1; // output_on onoff[1] = 0; // error_on onoff[2] = 0; // log_on onoff[3] = 0; // selected_output_on TestOnOff("phreeqc.out", onoff[0], onoff[1], onoff[2], onoff[3]); } void TestInterface::TestErrorOnOff() { int onoff[4]; onoff[0] = 0; // output_on onoff[1] = 1; // error_on onoff[2] = 0; // log_on onoff[3] = 0; // selected_output_on TestOnOff("phreeqc.err", onoff[0], onoff[1], onoff[2], onoff[3]); } void TestInterface::TestLogOnOff() { int onoff[4]; onoff[0] = 0; // output_on onoff[1] = 0; // error_on onoff[2] = 1; // log_on onoff[3] = 0; // selected_output_on TestOnOff("phreeqc.log", onoff[0], onoff[1], onoff[2], onoff[3]); } void TestInterface::TestSelOutOnOff() { int onoff[4]; onoff[0] = 0; // output_on onoff[1] = 0; // error_on onoff[2] = 0; // log_on onoff[3] = 1; // selected_output_on TestOnOff("selected.out", onoff[0], onoff[1], onoff[2], onoff[3]); } VRESULT SOLUTION(double C, double Ca, double Na) { std::ostringstream oss; oss << "SOLUTION 1\n"; oss << "C " << C << "\n"; oss << "Ca " << Ca << "\n"; oss << "Na " << Na << "\n"; return ::AccumulateLine(oss.str().c_str()); } VRESULT EQUILIBRIUM_PHASES(const char* phase, double si, double amount) { std::ostringstream oss; oss << "EQUILIBRIUM_PHASES\n"; oss << phase << " " << si << " " << amount << "\n"; return ::AccumulateLine(oss.str().c_str()); } VRESULT USER_PUNCH(const char* element, int max) { std::ostringstream oss; oss << "USER_PUNCH\n"; oss << "-head "; for (int i = 1; i <= max; ++i) { oss << i << ".name " << i << ".type " << i << ".moles "; } oss << "\n"; oss << "-start" << "\n"; oss << "10 n = sys(\"" << element << "\"" << ", count, names$, types$, moles)" << "\n"; oss << "20 n = " << max << "\n"; oss << "30 if count < " << max << " then n = count" << "\n"; oss << "40 for i = 1 to count" << "\n"; oss << "50 PUNCH names$(i), types$(i), moles(i)" << "\n"; oss << "60 next i" << "\n"; oss << "70 list" << "\n"; oss << "-end" << "\n"; oss << "SELECTED_OUTPUT" << "\n"; oss << "-totals C Ca Na" << "\n"; oss << "-molalities CO3-2 CaOH+ NaCO3-" << "\n"; oss << "-activities CO3-2 CaOH+ NaCO3-" << "\n"; oss << "-equilibrium_phases Calcite" << "\n"; oss << "-saturation_indices CO2(g) Siderite" << "\n"; oss << "-gases CO2(g) N2(g)" << "\n"; oss << "-kinetic_reactants Albite Pyrite" << "\n"; oss << "-solid_solutions CaSO4 SrSO4" << "\n"; return ::AccumulateLine(oss.str().c_str()); } #if defined(_WIN32) || defined(__CYGWIN32__) bool FileExists(const char *szPathName) { SECURITY_ATTRIBUTES sa; sa.nLength = sizeof(SECURITY_ATTRIBUTES); sa.lpSecurityDescriptor = NULL; sa.bInheritHandle = TRUE; HANDLE fileHandle = ::CreateFile(szPathName, GENERIC_READ, 0, &sa, OPEN_EXISTING, FILE_ATTRIBUTE_NORMAL, NULL); bool retValue; if (fileHandle == INVALID_HANDLE_VALUE) { retValue = false; } else { retValue = true; ::CloseHandle(fileHandle); } return retValue; } #else bool FileExists(const char *szPathName) { FILE* fp; fp = fopen(szPathName, "r"); if (fp == NULL) { return false; } else { fclose(fp); return true; } } #endif void TestOnOff(const char* FILENAME, int output_on, int error_on, int log_on, int selected_output_on) { //const char *FILENAME = "phreeqc.out"; // remove punch files if they exists // if (::FileExists(FILENAME)) { ::DeleteFile(FILENAME); } CPPUNIT_ASSERT_EQUAL( false, ::FileExists(FILENAME) ); CPPUNIT_ASSERT_EQUAL( 0, ::LoadDatabase("phreeqc.dat") ); // add solution block CPPUNIT_ASSERT_EQUAL( VR_OK, SOLUTION(1.0, 1.0, 1.0) ); // add selected output block { std::ostringstream oss; oss << "SELECTED_OUTPUT" << "\n"; oss << "-file selected.out" << "\n"; oss << "-totals C Ca Na" << "\n"; CPPUNIT_ASSERT_EQUAL( VR_OK, ::AccumulateLine(oss.str().c_str()) ); } // run all off CPPUNIT_ASSERT_EQUAL( 0, ::Run(0, 0, 0, 0) ); CPPUNIT_ASSERT_EQUAL( false, ::FileExists(FILENAME) ); CPPUNIT_ASSERT_EQUAL( 0, ::LoadDatabase("phreeqc.dat") ); // add solution block CPPUNIT_ASSERT_EQUAL( VR_OK, SOLUTION(1.0, 1.0, 1.0) ); // add selected output block { std::ostringstream oss; oss << "SELECTED_OUTPUT" << "\n"; oss << "-file selected.out" << "\n"; oss << "-totals C Ca Na" << "\n"; CPPUNIT_ASSERT_EQUAL( VR_OK, ::AccumulateLine(oss.str().c_str()) ); } // run CPPUNIT_ASSERT_EQUAL( 0, ::Run(output_on, error_on, log_on, selected_output_on) ); CPPUNIT_ASSERT_EQUAL( true, ::FileExists(FILENAME) ); CPPUNIT_ASSERT( ::DeleteFile(FILENAME) ); CPPUNIT_ASSERT_EQUAL( 0, ::LoadDatabase("phreeqc.dat") ); // add solution block CPPUNIT_ASSERT_EQUAL( VR_OK, SOLUTION(1.0, 1.0, 1.0) ); // add selected output block { std::ostringstream oss; oss << "SELECTED_OUTPUT" << "\n"; oss << "-file selected.out" << "\n"; oss << "-totals C Ca Na" << "\n"; CPPUNIT_ASSERT_EQUAL( VR_OK, ::AccumulateLine(oss.str().c_str()) ); } // run CPPUNIT_ASSERT_EQUAL( 0, ::Run(0, 0, 0, 0) ); CPPUNIT_ASSERT_EQUAL( false, ::FileExists(FILENAME) ); CPPUNIT_ASSERT_EQUAL( 0, ::LoadDatabase("phreeqc.dat") ); // add solution block CPPUNIT_ASSERT_EQUAL( VR_OK, SOLUTION(1.0, 1.0, 1.0) ); // add selected output block { std::ostringstream oss; oss << "SELECTED_OUTPUT" << "\n"; oss << "-file selected.out" << "\n"; oss << "-totals C Ca Na" << "\n"; CPPUNIT_ASSERT_EQUAL( VR_OK, ::AccumulateLine(oss.str().c_str()) ); } // run CPPUNIT_ASSERT_EQUAL( 0, ::Run(output_on, error_on, log_on, selected_output_on) ); CPPUNIT_ASSERT_EQUAL( true, ::FileExists(FILENAME) ); CPPUNIT_ASSERT( ::DeleteFile(FILENAME) ); } void TestInterface::TestLongHeadings() { char long_header[] = "this_is_a_long_header_0123456789012345678901234567890123456789"; char long_value[] = "this_is_a_long_value_01234567890123456789012345678901234567890"; CPPUNIT_ASSERT_EQUAL(0, ::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, ::AccumulateLine(oss.str().c_str()) ); CPPUNIT_ASSERT_EQUAL( 0, ::Run(0, 0, 0, 0) ); CPPUNIT_ASSERT_EQUAL(2, ::GetSelectedOutputRowCount()); CPPUNIT_ASSERT_EQUAL(1, ::GetSelectedOutputColumnCount()); CVar v; CPPUNIT_ASSERT( ::GetSelectedOutputValue(0, 0, &v) == VR_OK ); CPPUNIT_ASSERT( v.type == TT_STRING ); CPPUNIT_ASSERT_EQUAL( std::string(long_header), std::string(v.sVal)); CVar v1; CPPUNIT_ASSERT( ::GetSelectedOutputValue(1, 0, &v1) == VR_OK ); CPPUNIT_ASSERT( v1.type == TT_STRING ); CPPUNIT_ASSERT_EQUAL( std::string(long_value), std::string(v1.sVal)); CPPUNIT_ASSERT( ::GetSelectedOutputValue(1, 1, &v1) == VR_INVALIDCOL ); CPPUNIT_ASSERT( ::GetSelectedOutputValue(2, 0, &v1) == VR_INVALIDROW ); }