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added some database checking routines

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git-svn-id: svn://136.177.114.72/svn_GW/IPhreeqc/trunk@8565 1feff8c3-07ed-0310-ac33-dd36852eb9cd
This commit is contained in:
Scott R Charlton 2014-03-17 22:49:04 +00:00
parent 52287e6957
commit b685f71d36
2 changed files with 129 additions and 0 deletions
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125
unit/TestIPhreeqc.cpp
View File

@ -129,6 +129,131 @@ void TestIPhreeqc::TestLoadDatabaseString(void)
CPPUNIT_ASSERT_EQUAL(0, obj.LoadDatabaseString(ex15_dat));
}
void TestIPhreeqc::TestLoadDatabaseStringBadInput(void)
{
IPhreeqc obj;
for (int i = 0; i < 10; ++i)
{
CPPUNIT_ASSERT(0 != obj.LoadDatabaseString("phreeqc.dat.list"));
}
}
void TestIPhreeqc::TestLoadDatabaseEx14AsDB(void)
{
const char ex14[] =
"TITLE Example 14.--Transport with equilibrium_phases, exchange, and surface reactions\n"
"#\n"
"# Use phreeqc.dat\n"
"# Dzombak and Morel (1990) aqueous and surface complexation models for arsenic\n"
"# are defined here\n"
"#\n"
"SURFACE_MASTER_SPECIES\n"
" Surf SurfOH\n"
"SURFACE_SPECIES\n"
" SurfOH = SurfOH\n"
" log_k 0.0\n"
" SurfOH + H+ = SurfOH2+\n"
" log_k 7.29\n"
" SurfOH = SurfO- + H+\n"
" log_k -8.93\n"
" SurfOH + AsO4-3 + 3H+ = SurfH2AsO4 + H2O\n"
" log_k 29.31\n"
" SurfOH + AsO4-3 + 2H+ = SurfHAsO4- + H2O\n"
" log_k 23.51\n"
" SurfOH + AsO4-3 = SurfOHAsO4-3\n"
" log_k 10.58\n"
"SOLUTION_MASTER_SPECIES\n"
" As H3AsO4 -1.0 74.9216 74.9216\n"
"SOLUTION_SPECIES\n"
" H3AsO4 = H3AsO4\n"
" log_k 0.0\n"
" H3AsO4 = AsO4-3 + 3H+\n"
" log_k -20.7\n"
" H+ + AsO4-3 = HAsO4-2\n"
" log_k 11.50\n"
" 2H+ + AsO4-3 = H2AsO4-\n"
" log_k 18.46\n"
"SOLUTION 1 Brine\n"
" pH 5.713\n"
" pe 4.0 O2(g) -0.7\n"
" temp 25.\n"
" units mol/kgw\n"
" Ca .4655\n"
" Mg .1609\n"
" Na 5.402\n"
" Cl 6.642 charge\n"
" C .00396\n"
" S .004725\n"
" As .025 umol/kgw\n"
"END\n"
"USE solution 1\n"
"EQUILIBRIUM_PHASES 1\n"
" Dolomite 0.0 1.6\n"
" Calcite 0.0 0.1\n"
"SAVE solution 1\n"
"# prints initial condition to the selected-output file\n"
"SELECTED_OUTPUT\n"
" -file ex14.sel\n"
" -reset false\n"
" -step\n"
"USER_PUNCH\n"
" -head m_Ca m_Mg m_Na umol_As pH mmol_sorbedAs\n"
" 10 PUNCH TOT(\"Ca\"), TOT(\"Mg\"), TOT(\"Na\"), TOT(\"As\")*1e6, -LA(\"H+\"), SURF(\"As\", \"Surf\")*1000\n"
"END\n"
"PRINT\n"
"# skips print of initial exchange and initial surface to the selected-output file\n"
" -selected_out false\n"
"EXCHANGE 1\n"
" -equil with solution 1\n"
" X 1.0\n"
"SURFACE 1\n"
" -equil solution 1\n"
"# assumes 1/10 of iron is HFO\n"
" SurfOH 0.07 600. 30.\n"
"END\n"
"SOLUTION 0 20 x precipitation\n"
" pH 4.6\n"
" pe 4.0 O2(g) -0.7\n"
" temp 25.\n"
" units mmol/kgw\n"
" Ca .191625\n"
" Mg .035797\n"
" Na .122668\n"
" Cl .133704\n"
" C .01096\n"
" S .235153 charge\n"
"EQUILIBRIUM_PHASES 0\n"
" Dolomite 0.0 1.6\n"
" Calcite 0.0 0.1\n"
" CO2(g) -1.5 10.\n"
"SAVE solution 0\n"
"END\n"
"PRINT\n"
" -selected_out true\n"
" -status false\n"
"ADVECTION\n"
" -cells 1\n"
" -shifts 200\n"
" -print_frequency 200\n"
"USER_GRAPH 1 Example 14\n"
" -headings PV As(ppb) Ca(M) Mg(M) Na(M) pH\n"
" -chart_title \"Chemical Evolution of the Central Oklahoma Aquifer\"\n"
" -axis_titles \"Pore volumes or shift number\" \"Log(Concentration, in ppb or molal)\" \"pH\"\n"
" -axis_scale x_axis 0 200\n"
" -axis_scale y_axis 1e-6 100 auto auto Log\n"
" 10 GRAPH_X STEP_NO\n"
" 20 GRAPH_Y TOT(\"As\") * 74.92e6, TOT(\"Ca\"), TOT(\"Mg\"), TOT(\"Na\")\n"
" 30 GRAPH_SY -LA(\"H+\")\n"
"END\n";
IPhreeqc obj;
for (int i = 0; i < 10; ++i)
{
CPPUNIT_ASSERT(0 != obj.LoadDatabaseString(ex14));
}
}
void TestIPhreeqc::TestLoadDatabaseMissingFile(void)
{
CPPUNIT_ASSERT_EQUAL(false, ::FileExists("missing.file"));

4
unit/TestIPhreeqc.h
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@ -9,6 +9,8 @@ class TestIPhreeqc : public CppUnit::TestFixture
CPPUNIT_TEST_SUITE( TestIPhreeqc );
CPPUNIT_TEST( TestLoadDatabase );
CPPUNIT_TEST( TestLoadDatabaseString );
CPPUNIT_TEST( TestLoadDatabaseStringBadInput );
CPPUNIT_TEST( TestLoadDatabaseEx14AsDB );
CPPUNIT_TEST( TestLoadDatabaseMissingFile );
CPPUNIT_TEST( TestLoadDatabaseWithErrors );
CPPUNIT_TEST( TestRunAccumulated );
@ -87,6 +89,8 @@ public:
public:
void TestLoadDatabase(void);
void TestLoadDatabaseString(void);
void TestLoadDatabaseStringBadInput(void);
void TestLoadDatabaseEx14AsDB(void);
void TestLoadDatabaseMissingFile(void);
void TestLoadDatabaseWithErrors(void);
void TestRunAccumulated(void);