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GeochemistryIonicStrengthTest.C File Reference

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Functions

 TEST (GeochemistryIonicStrengthTest, sizeExceptions)
 
 TEST (GeochemistryIonicStrengthTest, getsetMax)
 Test getting and setting maximum ionic strengths. More...
 
 TEST (GeochemistryIonicStrengthTest, getsetOnly)
 Test using basis or Cl only. More...
 
 TEST (GeochemistryIonicStrengthTest, ionicStrength)
 Test computing ionic strength. More...
 
 TEST (GeochemistryIonicStrengthTest, stoichiometricIonicStrength)
 Test computing stoichiometric ionic strength. More...
 
 TEST (GeochemistryIonicStrengthTest, stoichiometricIonicStrength_except)
 Test exception stoichiometric ionic strength when using Cl only. More...
 
 TEST (GeochemistryIonicStrengthTest, stoichiometricIonicStrengthOnlyCl)
 Test stoichiometric ionic strength when using Cl only. More...
 

Variables

const GeochemicalDatabaseReader database ("database/moose_testdb.json")
 
const PertinentGeochemicalSystem model (database, {"H2O", "H+", "HCO3-", "O2(aq)", "Ca++", ">(s)FeOH"}, {"Calcite"}, {}, {"Calcite_asdf"}, {"CH4(aq)"}, {">(s)FeOCa+"}, "O2(aq)", "e-")
 
const ModelGeochemicalDatabase mgd = model.modelGeochemicalDatabase()
 
const GeochemistryIonicStrength is_calc (1E9, 1E9, false, false)
 
const GeochemistryIonicStrength is_basis_only (1E9, 1E9, true, false)
 
const GeochemistryIonicStrength is_cl_only (1E9, 1E9, false, true)
 

Function Documentation

◆ TEST() [1/7]

TEST ( GeochemistryIonicStrengthTest  ,
sizeExceptions   
)

Definition at line 32 of file GeochemistryIonicStrengthTest.C.

33 {
34  const std::vector<Real> basis_m_good(6);
35  const std::vector<Real> eqm_m_good(8);
36  const std::vector<Real> kin_m_good(3);
37 
38  try
39  {
40  is_calc.ionicStrength(mgd, {}, eqm_m_good, kin_m_good);
41  FAIL() << "Missing expected exception.";
42  }
43  catch (const std::exception & e)
44  {
45  std::string msg(e.what());
46  ASSERT_TRUE(
47  msg.find(
48  "Ionic strength calculation: Number of basis species in mgd not equal to the size of "
49  "basis_species_molality") != std::string::npos)
50  << "Failed with unexpected error message: " << msg;
51  }
52 
53  try
54  {
55  is_calc.ionicStrength(mgd, basis_m_good, {}, kin_m_good);
56  FAIL() << "Missing expected exception.";
57  }
58  catch (const std::exception & e)
59  {
60  std::string msg(e.what());
61  ASSERT_TRUE(msg.find("Ionic strength calculation: Number of equilibrium species in mgd not "
62  "equal to the size of "
63  "eqm_species_molality") != std::string::npos)
64  << "Failed with unexpected error message: " << msg;
65  }
66 
67  try
68  {
69  is_calc.ionicStrength(mgd, basis_m_good, eqm_m_good, {});
70  FAIL() << "Missing expected exception.";
71  }
72  catch (const std::exception & e)
73  {
74  std::string msg(e.what());
75  ASSERT_TRUE(msg.find("Ionic strength calculation: Number of kinetic species in mgd not "
76  "equal to the size of "
77  "kin_species_molality") != std::string::npos)
78  << "Failed with unexpected error message: " << msg;
79  }
80 
81  try
82  {
83  is_calc.stoichiometricIonicStrength(mgd, {}, eqm_m_good, kin_m_good);
84  FAIL() << "Missing expected exception.";
85  }
86  catch (const std::exception & e)
87  {
88  std::string msg(e.what());
89  ASSERT_TRUE(msg.find("Stoichiometric ionic strength calculation: Number of basis species in "
90  "mgd not equal to the size of "
91  "basis_species_molality") != std::string::npos)
92  << "Failed with unexpected error message: " << msg;
93  }
94 
95  try
96  {
97  is_calc.stoichiometricIonicStrength(mgd, basis_m_good, {}, kin_m_good);
98  FAIL() << "Missing expected exception.";
99  }
100  catch (const std::exception & e)
101  {
102  std::string msg(e.what());
103  ASSERT_TRUE(
104  msg.find(
105  "Stoichiometric ionic strength calculation: Number of equilibrium species in mgd not "
106  "equal to the size of "
107  "eqm_species_molality") != std::string::npos)
108  << "Failed with unexpected error message: " << msg;
109  }
110 
111  try
112  {
113  is_calc.stoichiometricIonicStrength(mgd, basis_m_good, eqm_m_good, {});
114  FAIL() << "Missing expected exception.";
115  }
116  catch (const std::exception & e)
117  {
118  std::string msg(e.what());
119  ASSERT_TRUE(
120  msg.find("Stoichiometric ionic strength calculation: Number of kinetic species in mgd not "
121  "equal to the size of "
122  "kin_species_molality") != std::string::npos)
123  << "Failed with unexpected error message: " << msg;
124  }
125 }
is_calc
const GeochemistryIonicStrength is_calc(1E9, 1E9, false, false)
GeochemistryIonicStrength::ionicStrength
Real ionicStrength(const ModelGeochemicalDatabase &mgd, const std::vector< Real > &basis_species_molality, const std::vector< Real > &eqm_species_molality, const std::vector< Real > &kin_species_molality) const
Compute ionic strength.
Definition: GeochemistryIonicStrength.C:25
mgd
const ModelGeochemicalDatabase mgd
Definition: GeochemistryIonicStrengthTest.C:27
GeochemistryIonicStrength::stoichiometricIonicStrength
Real stoichiometricIonicStrength(const ModelGeochemicalDatabase &mgd, const std::vector< Real > &basis_species_molality, const std::vector< Real > &eqm_species_molality, const std::vector< Real > &kin_species_molality) const
Compute stoichiometric ionic strength.
Definition: GeochemistryIonicStrength.C:61

◆ TEST() [2/7]

TEST ( GeochemistryIonicStrengthTest  ,
getsetMax   
)

Test getting and setting maximum ionic strengths.

Definition at line 128 of file GeochemistryIonicStrengthTest.C.

129 {
130  GeochemistryIonicStrength is(1.0, 2.0, false, false);
131  EXPECT_EQ(is.getMaxIonicStrength(), 1.0);
132  EXPECT_EQ(is.getMaxStoichiometricIonicStrength(), 2.0);
133 
134  is.setMaxIonicStrength(3.25);
135  is.setMaxStoichiometricIonicStrength(4.5);
136 
137  EXPECT_EQ(is.getMaxIonicStrength(), 3.25);
138  EXPECT_EQ(is.getMaxStoichiometricIonicStrength(), 4.5);
139 }
GeochemistryIonicStrength
Calculators to compute ionic strength and stoichiometric ionic strength.
Definition: GeochemistryIonicStrength.h:17
is
PetscErrorCode PetscInt const PetscInt IS * is

◆ TEST() [3/7]

TEST ( GeochemistryIonicStrengthTest  ,
getsetOnly   
)

Test using basis or Cl only.

Definition at line 142 of file GeochemistryIonicStrengthTest.C.

143 {
144  EXPECT_FALSE(is_calc.getUseOnlyBasisMolality());
145  EXPECT_TRUE(is_basis_only.getUseOnlyBasisMolality());
146  EXPECT_FALSE(is_cl_only.getUseOnlyBasisMolality());
147  EXPECT_FALSE(is_calc.getUseOnlyClMolality());
148  EXPECT_FALSE(is_basis_only.getUseOnlyClMolality());
149  EXPECT_TRUE(is_cl_only.getUseOnlyClMolality());
150 
151  GeochemistryIonicStrength is_tmp(0.125, 1E9, false, false);
152  EXPECT_FALSE(is_tmp.getUseOnlyBasisMolality());
153  EXPECT_FALSE(is_tmp.getUseOnlyClMolality());
154  is_tmp.setUseOnlyBasisMolality(true);
155  EXPECT_TRUE(is_tmp.getUseOnlyBasisMolality());
156  EXPECT_FALSE(is_tmp.getUseOnlyClMolality());
157  is_tmp.setUseOnlyClMolality(true);
158  EXPECT_TRUE(is_tmp.getUseOnlyBasisMolality());
159  EXPECT_TRUE(is_tmp.getUseOnlyClMolality());
160  is_tmp.setUseOnlyBasisMolality(false);
161  EXPECT_FALSE(is_tmp.getUseOnlyBasisMolality());
162  EXPECT_TRUE(is_tmp.getUseOnlyClMolality());
163 }
GeochemistryIonicStrength::getUseOnlyBasisMolality
Real getUseOnlyBasisMolality() const
Return the value of use_only_basis_molality.
Definition: GeochemistryIonicStrength.C:153
GeochemistryIonicStrength::getUseOnlyClMolality
Real getUseOnlyClMolality() const
Return the value of use_only_Cl_molality.
Definition: GeochemistryIonicStrength.C:165
is_calc
const GeochemistryIonicStrength is_calc(1E9, 1E9, false, false)
GeochemistryIonicStrength
Calculators to compute ionic strength and stoichiometric ionic strength.
Definition: GeochemistryIonicStrength.h:17
is_basis_only
const GeochemistryIonicStrength is_basis_only(1E9, 1E9, true, false)
is_cl_only
const GeochemistryIonicStrength is_cl_only(1E9, 1E9, false, true)

◆ TEST() [4/7]

TEST ( GeochemistryIonicStrengthTest  ,
ionicStrength   
)

Test computing ionic strength.

Definition at line 166 of file GeochemistryIonicStrengthTest.C.

167 {
168  Real gold_ionic_str = 0.0;
169 
170  std::vector<Real> basis_m(6);
171  basis_m[mgd.basis_species_index.at("H2O")] = 1.0;
172  basis_m[mgd.basis_species_index.at("H+")] = 2.0;
173  gold_ionic_str += 2.0;
174  basis_m[mgd.basis_species_index.at("HCO3-")] = 3.0;
175  gold_ionic_str += 3.0;
176  basis_m[mgd.basis_species_index.at("O2(aq)")] = 4.0;
177  basis_m[mgd.basis_species_index.at("Ca++")] = 5.0;
178  gold_ionic_str += 4 * 5.0;
179  basis_m[mgd.basis_species_index.at(">(s)FeOH")] = 6.0;
180 
181  const Real gold_basis_only = 0.5 * gold_ionic_str;
182 
183  std::vector<Real> eqm_m(8);
184  eqm_m[mgd.eqm_species_index.at("CO2(aq)")] = 1.1;
185  eqm_m[mgd.eqm_species_index.at("CO3--")] = 2.2;
186  gold_ionic_str += 4 * 2.2;
187  eqm_m[mgd.eqm_species_index.at("CaCO3")] = 3.3;
188  eqm_m[mgd.eqm_species_index.at("CaOH+")] = 4.4;
189  gold_ionic_str += 4.4;
190  eqm_m[mgd.eqm_species_index.at("OH-")] = 5.5;
191  gold_ionic_str += 5.5;
192  eqm_m[mgd.eqm_species_index.at("(O-phth)--")] = 6.6;
193  gold_ionic_str += 4 * 6.6;
194  eqm_m[mgd.eqm_species_index.at(">(s)FeO-")] = 7.7;
195  gold_ionic_str += 7.7;
196  eqm_m[mgd.eqm_species_index.at("Calcite")] = 9.9;
197 
198  std::vector<Real> kin_m(3);
199  kin_m[mgd.kin_species_index.at("Calcite_asdf")] = -1.1;
200  kin_m[mgd.kin_species_index.at("CH4(aq)")] = -2.2;
201  kin_m[mgd.kin_species_index.at(">(s)FeOCa+")] = -3.3;
202  gold_ionic_str += -3.3;
203 
204  gold_ionic_str *= 0.5;
205 
206  const Real ionic_str = is_calc.ionicStrength(mgd, basis_m, eqm_m, kin_m);
207  const Real ionic_str_basis_only = is_basis_only.ionicStrength(mgd, basis_m, eqm_m, kin_m);
208 
209  EXPECT_NEAR(ionic_str, gold_ionic_str, 1E-9);
210  EXPECT_NEAR(ionic_str_basis_only, gold_basis_only, 1E-9);
211 
212  GeochemistryIonicStrength is_max(0.125, 1E9, false, false);
213  EXPECT_EQ(is_max.ionicStrength(mgd, basis_m, eqm_m, kin_m), 0.125);
214 }
is_calc
const GeochemistryIonicStrength is_calc(1E9, 1E9, false, false)
ModelGeochemicalDatabase::basis_species_index
std::unordered_map< std::string, unsigned > basis_species_index
basis_species_index[name] = index of the basis species, within all ModelGeochemicalDatabase internal ...
Definition: PertinentGeochemicalSystem.h:158
ModelGeochemicalDatabase::eqm_species_index
std::unordered_map< std::string, unsigned > eqm_species_index
eqm_species_index[name] = index of the equilibrium species (secondary aqueous species, redox couples in equilibrium with the aqueous solution, minerals in equilibrium with the aqueous solution, gases in equilibrium with the aqueous solution) within all ModelGeochemicalDatabase internal datastrcutres, with given name
Definition: PertinentGeochemicalSystem.h:190
GeochemistryIonicStrength::ionicStrength
Real ionicStrength(const ModelGeochemicalDatabase &mgd, const std::vector< Real > &basis_species_molality, const std::vector< Real > &eqm_species_molality, const std::vector< Real > &kin_species_molality) const
Compute ionic strength.
Definition: GeochemistryIonicStrength.C:25
ModelGeochemicalDatabase::kin_species_index
std::unordered_map< std::string, unsigned > kin_species_index
kin_species_index[name] = index of the kinetic species, within all ModelGeochemicalDatabase internal ...
Definition: PertinentGeochemicalSystem.h:300
GeochemistryIonicStrength
Calculators to compute ionic strength and stoichiometric ionic strength.
Definition: GeochemistryIonicStrength.h:17
is_basis_only
const GeochemistryIonicStrength is_basis_only(1E9, 1E9, true, false)
mgd
const ModelGeochemicalDatabase mgd
Definition: GeochemistryIonicStrengthTest.C:27
Real
DIE A HORRIBLE DEATH HERE typedef LIBMESH_DEFAULT_SCALAR_TYPE Real

◆ TEST() [5/7]

TEST ( GeochemistryIonicStrengthTest  ,
stoichiometricIonicStrength   
)

Test computing stoichiometric ionic strength.

Definition at line 217 of file GeochemistryIonicStrengthTest.C.

218 {
219  Real gold_ionic_str = 0.0;
220 
221  std::vector<Real> basis_m(6);
222  basis_m[mgd.basis_species_index.at("H2O")] = 1.0;
223  basis_m[mgd.basis_species_index.at("H+")] = 2.0;
224  gold_ionic_str += 2.0;
225  basis_m[mgd.basis_species_index.at("HCO3-")] = 3.0;
226  gold_ionic_str += 3.0;
227  basis_m[mgd.basis_species_index.at("O2(aq)")] = 4.0;
228  basis_m[mgd.basis_species_index.at("Ca++")] = 5.0;
229  gold_ionic_str += 5.0 * 4;
230  basis_m[mgd.basis_species_index.at(">(s)FeOH")] = 6.0;
231 
232  const Real gold_basis_only = 0.5 * gold_ionic_str;
233 
234  std::vector<Real> eqm_m(8);
235  eqm_m[mgd.eqm_species_index.at("CO2(aq)")] = 1.1;
236  gold_ionic_str += 1.1 * (1 + 1);
237  eqm_m[mgd.eqm_species_index.at("CO3--")] = 2.2;
238  gold_ionic_str += 2.2 * 4;
239  eqm_m[mgd.eqm_species_index.at("CaCO3")] = 3.3;
240  gold_ionic_str += 3.3 * (4 + 1 - 1);
241  eqm_m[mgd.eqm_species_index.at("CaOH+")] = 4.4;
242  gold_ionic_str += 4.4 * (1);
243  eqm_m[mgd.eqm_species_index.at("OH-")] = 5.5;
244  gold_ionic_str += 5.5 * (1);
245  eqm_m[mgd.eqm_species_index.at("(O-phth)--")] = 6.6;
246  gold_ionic_str += 6.6 * (4);
247  eqm_m[mgd.eqm_species_index.at(">(s)FeO-")] = 7.7;
248  gold_ionic_str += 7.7 * (1);
249  eqm_m[mgd.eqm_species_index.at("Calcite")] = 9.9;
250  gold_ionic_str += 9.9 * (4 + 1 - 1);
251 
252  std::vector<Real> kin_m(3);
253  kin_m[mgd.kin_species_index.at("Calcite_asdf")] = -1.1;
254  gold_ionic_str += 0.0;
255  kin_m[mgd.kin_species_index.at("CH4(aq)")] = -2.2;
256  gold_ionic_str += 0.0;
257  kin_m[mgd.kin_species_index.at(">(s)FeOCa+")] = -3.3;
258  gold_ionic_str += -3.3 * (1);
259 
260  gold_ionic_str *= 0.5;
261 
262  const Real ionic_str = is_calc.stoichiometricIonicStrength(mgd, basis_m, eqm_m, kin_m);
263  const Real ionic_str_basis_only =
264  is_basis_only.stoichiometricIonicStrength(mgd, basis_m, eqm_m, kin_m);
265 
266  EXPECT_NEAR(ionic_str, gold_ionic_str, 1E-9);
267  EXPECT_NEAR(ionic_str_basis_only, gold_basis_only, 1E-9);
268 
269  GeochemistryIonicStrength is_max(1E9, 0.125, false, false);
270  EXPECT_EQ(is_max.stoichiometricIonicStrength(mgd, basis_m, eqm_m, kin_m), 0.125);
271 }
is_calc
const GeochemistryIonicStrength is_calc(1E9, 1E9, false, false)
ModelGeochemicalDatabase::basis_species_index
std::unordered_map< std::string, unsigned > basis_species_index
basis_species_index[name] = index of the basis species, within all ModelGeochemicalDatabase internal ...
Definition: PertinentGeochemicalSystem.h:158
ModelGeochemicalDatabase::eqm_species_index
std::unordered_map< std::string, unsigned > eqm_species_index
eqm_species_index[name] = index of the equilibrium species (secondary aqueous species, redox couples in equilibrium with the aqueous solution, minerals in equilibrium with the aqueous solution, gases in equilibrium with the aqueous solution) within all ModelGeochemicalDatabase internal datastrcutres, with given name
Definition: PertinentGeochemicalSystem.h:190
ModelGeochemicalDatabase::kin_species_index
std::unordered_map< std::string, unsigned > kin_species_index
kin_species_index[name] = index of the kinetic species, within all ModelGeochemicalDatabase internal ...
Definition: PertinentGeochemicalSystem.h:300
GeochemistryIonicStrength
Calculators to compute ionic strength and stoichiometric ionic strength.
Definition: GeochemistryIonicStrength.h:17
is_basis_only
const GeochemistryIonicStrength is_basis_only(1E9, 1E9, true, false)
mgd
const ModelGeochemicalDatabase mgd
Definition: GeochemistryIonicStrengthTest.C:27
Real
DIE A HORRIBLE DEATH HERE typedef LIBMESH_DEFAULT_SCALAR_TYPE Real
GeochemistryIonicStrength::stoichiometricIonicStrength
Real stoichiometricIonicStrength(const ModelGeochemicalDatabase &mgd, const std::vector< Real > &basis_species_molality, const std::vector< Real > &eqm_species_molality, const std::vector< Real > &kin_species_molality) const
Compute stoichiometric ionic strength.
Definition: GeochemistryIonicStrength.C:61

◆ TEST() [6/7]

TEST ( GeochemistryIonicStrengthTest  ,
stoichiometricIonicStrength_except   
)

Test exception stoichiometric ionic strength when using Cl only.

Definition at line 274 of file GeochemistryIonicStrengthTest.C.

275 {
276  std::vector<Real> basis_m(6);
277  std::vector<Real> eqm_m(8);
278  std::vector<Real> kin_m(3);
279  try
280  {
281  is_cl_only.stoichiometricIonicStrength(mgd, basis_m, eqm_m, kin_m);
282  FAIL() << "Missing expected exception.";
283  }
284  catch (const std::exception & e)
285  {
286  std::string msg(e.what());
287  ASSERT_TRUE(
288  msg.find(
289  "GeochemistryIonicStrength: attempting to compute stoichiometric ionic strength "
290  "using only the Cl- molality, but Cl- does not appear in the geochemical system") !=
291  std::string::npos)
292  << "Failed with unexpected error message: " << msg;
293  }
294 }
is_cl_only
const GeochemistryIonicStrength is_cl_only(1E9, 1E9, false, true)
mgd
const ModelGeochemicalDatabase mgd
Definition: GeochemistryIonicStrengthTest.C:27
GeochemistryIonicStrength::stoichiometricIonicStrength
Real stoichiometricIonicStrength(const ModelGeochemicalDatabase &mgd, const std::vector< Real > &basis_species_molality, const std::vector< Real > &eqm_species_molality, const std::vector< Real > &kin_species_molality) const
Compute stoichiometric ionic strength.
Definition: GeochemistryIonicStrength.C:61

◆ TEST() [7/7]

TEST ( GeochemistryIonicStrengthTest  ,
stoichiometricIonicStrengthOnlyCl   
)

Test stoichiometric ionic strength when using Cl only.

Definition at line 297 of file GeochemistryIonicStrengthTest.C.

298 {
299  const GeochemicalDatabaseReader db_cl("../database/moose_geochemdb.json", true, true, false);
300 
301  // Cl is a basis species
302  const PertinentGeochemicalSystem model_cl(
303  db_cl, {"H2O", "H+", "Cl-"}, {}, {}, {}, {}, {}, "O2(aq)", "e-");
304  const ModelGeochemicalDatabase mgd_cl = model_cl.modelGeochemicalDatabase();
305  const GeochemistryIonicStrength is_cl(1E9, 1E9, false, true);
306  const std::vector<Real> basis_m{0.75, 2.5, 3.5};
307  const std::vector<Real> eqm_m{1.5, 0.25};
308  EXPECT_EQ(is_cl.stoichiometricIonicStrength(mgd_cl, basis_m, eqm_m, {}), 3.5);
309 
310  // Cl is an equilibrium species
311  const PertinentGeochemicalSystem model_cl_eqm(
312  db_cl, {"H2O", "H+", "Cl-"}, {}, {}, {}, {}, {}, "O2(aq)", "e-");
313  ModelGeochemicalDatabase mgd_cl_eqm = model_cl_eqm.modelGeochemicalDatabase();
314  GeochemistrySpeciesSwapper swapper(3, 1E-6);
315  swapper.performSwap(mgd_cl_eqm, "Cl-", "HCl");
316  const GeochemistryIonicStrength is_cl_eqm(1E9, 1E9, false, true);
317  const std::vector<Real> basis_m_eqm{0.75, 2.5, 3.5};
318  const std::vector<Real> eqm_m_eqm{1.5, 0.25};
319  const unsigned pos = mgd_cl_eqm.eqm_species_name[0] == "Cl-" ? 0 : 1;
320  EXPECT_EQ(is_cl_eqm.stoichiometricIonicStrength(mgd_cl_eqm, basis_m_eqm, eqm_m_eqm, {}),
321  eqm_m_eqm[pos]);
322 
323  // Cl is a kinetic species
324  const GeochemicalDatabaseReader db_cl_kin(
325  "database/moose_testdb_cl_kinetic.json", true, true, false);
326  const PertinentGeochemicalSystem model_cl_kin(
327  db_cl_kin, {"H2O"}, {}, {}, {}, {"Cl-"}, {}, "O2(aq)", "e-");
328  ModelGeochemicalDatabase mgd_cl_kin = model_cl_kin.modelGeochemicalDatabase();
329  const GeochemistryIonicStrength is_cl_kin(1E9, 1E9, false, true);
330  const std::vector<Real> basis_m_kin{0.75};
331  const std::vector<Real> kin_m_kin{7.75};
332  EXPECT_EQ(is_cl_kin.stoichiometricIonicStrength(mgd_cl_kin, basis_m_kin, {}, kin_m_kin), 7.75);
333 }
GeochemistrySpeciesSwapper
Class to swap basis species with equilibrium species.
Definition: GeochemistrySpeciesSwapper.h:19
PertinentGeochemicalSystem
Constructs and stores a minimal amount of information that is pertinent to the user-defined geochemic...
Definition: PertinentGeochemicalSystem.h:382
GeochemistryIonicStrength
Calculators to compute ionic strength and stoichiometric ionic strength.
Definition: GeochemistryIonicStrength.h:17
ModelGeochemicalDatabase
Data structure to hold all relevant information from the database file.
Definition: PertinentGeochemicalSystem.h:99
GeochemicalDatabaseReader
Class for reading geochemical reactions from a MOOSE geochemical database.
Definition: GeochemicalDatabaseReader.h:213

Variable Documentation

◆ database

const GeochemicalDatabaseReader database("database/moose_testdb.json")

◆ is_basis_only

const GeochemistryIonicStrength is_basis_only(1E9, 1E9, true, false)

Referenced by TEST().

◆ is_calc

const GeochemistryIonicStrength is_calc(1E9, 1E9, false, false)

Referenced by TEST().

◆ is_cl_only

const GeochemistryIonicStrength is_cl_only(1E9, 1E9, false, true)

Referenced by TEST().

◆ mgd

const ModelGeochemicalDatabase mgd = model.modelGeochemicalDatabase()

Definition at line 27 of file GeochemistryIonicStrengthTest.C.

Referenced by TEST().

◆ model

const PertinentGeochemicalSystem model(database, {"H2O", "H+", "HCO3-", "O2(aq)", "Ca++", ">(s)FeOH"}, {"Calcite"}, {}, {"Calcite_asdf"}, {"CH4(aq)"}, {">(s)FeOCa+"}, "O2(aq)", "e-")
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