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iphreeqc/unit/TestInterface.cpp
Scott R Charlton 71d54c4dee Rearranging IPhreeqc 
git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@4110 1feff8c3-07ed-0310-ac33-dd36852eb9cd
2010-02-23 05:06:43 +00:00

1288 lines
40 KiB
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#include "TestInterface.h"
#if defined(_WIN32) || defined(__CYGWIN32__)
#include <windows.h>
#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 <iostream>
#include <cmath>
#include <cfloat>
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 );
}
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