https://mooseframework.inl.gov
Functions | Variables
GeochemistryUnitConverterTest.C File Reference

Go to the source code of this file.

Functions

 TEST (GeochemistryUnitConverterTest, exceptions)
 
 TEST (GeochemistryUnitConverterTest, fromMoles)
 
 TEST (GeochemistryUnitConverterTest, toMoles)
 

Variables

const GeochemicalDatabaseReader db ("database/moose_testdb.json", true, true, false)
 
const PertinentGeochemicalSystem model (db, {"H2O", "Ca++", "HCO3-", "H+", ">(s)FeOH", "Fe++", "CH4(aq)", "O2(aq)", ">(w)FeOH"}, {"Calcite", "Fe(OH)3(ppd)"}, {"CH4(g)"}, {"Something"}, {"(O-phth)--"}, {">(s)FeO-"}, "O2(aq)", "e-")
 
const ModelGeochemicalDatabase mgd = model.modelGeochemicalDatabase()
 

Function Documentation

◆ TEST() [1/3]

TEST ( GeochemistryUnitConverterTest  ,
exceptions   
)

Definition at line 28 of file GeochemistryUnitConverterTest.C.

29 {
30  try
31  {
32  GeochemistryUnitConverter::toMoles(
33  1.0, GeochemistryUnitConverter::GeochemistryUnit::MOLES, "bad_name", mgd);
34  FAIL() << "Missing expected exception.";
35  }
36  catch (const std::exception & e)
37  {
38  std::string msg(e.what());
39  ASSERT_TRUE(
40  msg.find(
41  "GeochemistryUnitConverter: bad_name is not a basis, equilibrium or kinetic species") !=
42  std::string::npos)
43  << "Failed with unexpected error message: " << msg;
44  }
45 
46  try
47  {
48  GeochemistryUnitConverter::toMoles(
49  1.0, GeochemistryUnitConverter::GeochemistryUnit::CM3, "Ca++", mgd);
50  FAIL() << "Missing expected exception.";
51  }
52  catch (const std::exception & e)
53  {
54  std::string msg(e.what());
55  ASSERT_TRUE(msg.find("GeochemistryUnitConverter: Cannot use CM3 units for species Ca++ because "
56  "it is not a mineral") != std::string::npos)
57  << "Failed with unexpected error message: " << msg;
58  }
59 
60  try
61  {
62  GeochemistryUnitConverter::toMoles(
63  1.0, GeochemistryUnitConverter::GeochemistryUnit::CM3, "CO3--", mgd);
64  FAIL() << "Missing expected exception.";
65  }
66  catch (const std::exception & e)
67  {
68  std::string msg(e.what());
69  ASSERT_TRUE(
70  msg.find("GeochemistryUnitConverter: Cannot use CM3 units for species CO3-- because "
71  "it is not a mineral") != std::string::npos)
72  << "Failed with unexpected error message: " << msg;
73  }
74 
75  try
76  {
77  GeochemistryUnitConverter::toMoles(
78  1.0, GeochemistryUnitConverter::GeochemistryUnit::CM3, "CH4(g)", mgd);
79  FAIL() << "Missing expected exception.";
80  }
81  catch (const std::exception & e)
82  {
83  std::string msg(e.what());
84  ASSERT_TRUE(
85  msg.find("GeochemistryUnitConverter: Cannot use CM3 units for species CH4(g) because "
86  "it is not a mineral") != std::string::npos)
87  << "Failed with unexpected error message: " << msg;
88  }
89 
90  try
91  {
92  GeochemistryUnitConverter::toMoles(
93  1.0, GeochemistryUnitConverter::GeochemistryUnit::CM3, "(O-phth)--", mgd);
94  FAIL() << "Missing expected exception.";
95  }
96  catch (const std::exception & e)
97  {
98  std::string msg(e.what());
99  ASSERT_TRUE(
100  msg.find("GeochemistryUnitConverter: Cannot use CM3 units for species (O-phth)-- because "
101  "it is not a mineral") != std::string::npos)
102  << "Failed with unexpected error message: " << msg;
103  }
104 
105  try
106  {
107  GeochemistryUnitConverter::toMoles(
108  1.0, GeochemistryUnitConverter::GeochemistryUnit::CM3, ">(s)FeO-", mgd);
109  FAIL() << "Missing expected exception.";
110  }
111  catch (const std::exception & e)
112  {
113  std::string msg(e.what());
114  ASSERT_TRUE(
115  msg.find("GeochemistryUnitConverter: Cannot use CM3 units for species >(s)FeO- because "
116  "it is not a mineral") != std::string::npos)
117  << "Failed with unexpected error message: " << msg;
118  }
119 }
GeochemistryUnitConverter::toMoles
Real toMoles(Real quantity, const GeochemistryUnit unit, const std::string &species_name, const ModelGeochemicalDatabase &mgd)
Calculates the amount of moles corresponding to "quantity" "unit"s of species name, OR calculates the molality corresponding to "quantity" "unit"s of species name, whichever is appropriate.
Definition: GeochemistryUnitConverter.C:52
mgd
const ModelGeochemicalDatabase mgd
Definition: GeochemistryUnitConverterTest.C:25

◆ TEST() [2/3]

TEST ( GeochemistryUnitConverterTest  ,
fromMoles   
)

Definition at line 122 of file GeochemistryUnitConverterTest.C.

123 {
124  EXPECT_EQ(GeochemistryUnitConverter::fromMoles(
125  11.0, GeochemistryUnitConverter::GeochemistryUnit::DIMENSIONLESS, "H2O", mgd),
126  11.0);
127  EXPECT_EQ(GeochemistryUnitConverter::fromMoles(
128  11.0, GeochemistryUnitConverter::GeochemistryUnit::MOLES, "CO3--", mgd),
129  11.0);
130  EXPECT_EQ(GeochemistryUnitConverter::fromMoles(
131  11.0, GeochemistryUnitConverter::GeochemistryUnit::MOLAL, "CaCO3", mgd),
132  11.0);
133  EXPECT_NEAR(GeochemistryUnitConverter::fromMoles(
134  11.0, GeochemistryUnitConverter::GeochemistryUnit::G, "Ca++", mgd),
135  11.0 * 40.08,
136  1.0E-8);
137  EXPECT_NEAR(GeochemistryUnitConverter::fromMoles(
138  11.0, GeochemistryUnitConverter::GeochemistryUnit::KG, "Ca++", mgd),
139  11.0 * 40.08 / 1.0E3,
140  1.0E-8);
141  EXPECT_NEAR(GeochemistryUnitConverter::fromMoles(
142  11.0, GeochemistryUnitConverter::GeochemistryUnit::MG, "HCO3-", mgd),
143  11.0 * 61.0171 * 1.0E3,
144  1.0E-8);
145  EXPECT_NEAR(GeochemistryUnitConverter::fromMoles(
146  11.0, GeochemistryUnitConverter::GeochemistryUnit::UG, "H+", mgd),
147  11.0 * 1.0079 * 1.0E6,
148  1.0E-3);
149  EXPECT_NEAR(
150  GeochemistryUnitConverter::fromMoles(
151  11.0, GeochemistryUnitConverter::GeochemistryUnit::KG_PER_KG_SOLVENT, ">(s)FeOH", mgd),
152  11.0 * 72.8543 * 1E-3,
153  1.0E-8);
154  EXPECT_NEAR(
155  GeochemistryUnitConverter::fromMoles(
156  11.0, GeochemistryUnitConverter::GeochemistryUnit::G_PER_KG_SOLVENT, ">(w)FeOH", mgd),
157  11.0 * 1234.567,
158  1.0E-8);
159  EXPECT_NEAR(
160  GeochemistryUnitConverter::fromMoles(
161  11.0, GeochemistryUnitConverter::GeochemistryUnit::MG_PER_KG_SOLVENT, "CO2(aq)", mgd),
162  11.0 * 44.0098 * 1E3,
163  1.0E-8);
164  EXPECT_NEAR(
165  GeochemistryUnitConverter::fromMoles(
166  11.0, GeochemistryUnitConverter::GeochemistryUnit::UG_PER_KG_SOLVENT, "Calcite", mgd),
167  11.0 * 100.0892 * 1E6,
168  1.0E-3);
169  EXPECT_NEAR(GeochemistryUnitConverter::fromMoles(
170  11.0,
171  GeochemistryUnitConverter::GeochemistryUnit::UG_PER_KG_SOLVENT,
172  "Fe(OH)3(ppd)",
173  mgd),
174  11.0 * 106.8689 * 1E6,
175  1.0E-3);
176  EXPECT_NEAR(
177  GeochemistryUnitConverter::fromMoles(
178  11.0, GeochemistryUnitConverter::GeochemistryUnit::G_PER_KG_SOLVENT, "CH4(g)", mgd),
179  11.0 * 16.0426,
180  1.0E-8);
181  EXPECT_NEAR(
182  GeochemistryUnitConverter::fromMoles(
183  11.0, GeochemistryUnitConverter::GeochemistryUnit::MG_PER_KG_SOLVENT, "Something", mgd),
184  11.0 * 88.8537 * 1E3,
185  1.0E-8);
186  EXPECT_NEAR(GeochemistryUnitConverter::fromMoles(
187  11.0, GeochemistryUnitConverter::GeochemistryUnit::UG, "(O-phth)--", mgd),
188  11.0 * 164.1172 * 1E6,
189  1.0E-3);
190  EXPECT_NEAR(GeochemistryUnitConverter::fromMoles(
191  11.0, GeochemistryUnitConverter::GeochemistryUnit::UG, ">(s)FeO-", mgd),
192  11.0 * 71.8464 * 1E6,
193  1.0E-3);
194  EXPECT_NEAR(GeochemistryUnitConverter::fromMoles(
195  11.0, GeochemistryUnitConverter::GeochemistryUnit::CM3, "Calcite", mgd),
196  11.0 * 36.9340,
197  1.0E-8);
198  EXPECT_NEAR(GeochemistryUnitConverter::fromMoles(
199  11.0, GeochemistryUnitConverter::GeochemistryUnit::CM3, "Fe(OH)3(ppd)", mgd),
200  11.0 * 34.3200,
201  1.0E-8);
202  EXPECT_NEAR(GeochemistryUnitConverter::fromMoles(
203  11.0, GeochemistryUnitConverter::GeochemistryUnit::CM3, "Something", mgd),
204  11.0 * 20.8200,
205  1.0E-8);
206 }
mgd
const ModelGeochemicalDatabase mgd
Definition: GeochemistryUnitConverterTest.C:25
GeochemistryUnitConverter::fromMoles
Real fromMoles(Real moles, const GeochemistryUnit unit, const std::string &species_name, const ModelGeochemicalDatabase &mgd)
Calculates the amount of "unit"s of species_name in 1 mole, OR in 1 molal, whichever is appropriate...
Definition: GeochemistryUnitConverter.C:17

◆ TEST() [3/3]

TEST ( GeochemistryUnitConverterTest  ,
toMoles   
)

Definition at line 209 of file GeochemistryUnitConverterTest.C.

210 {
211  EXPECT_EQ(GeochemistryUnitConverter::toMoles(
212  11.0, GeochemistryUnitConverter::GeochemistryUnit::DIMENSIONLESS, "H2O", mgd),
213  11.0);
214  EXPECT_EQ(GeochemistryUnitConverter::toMoles(
215  11.0, GeochemistryUnitConverter::GeochemistryUnit::MOLES, "CO3--", mgd),
216  11.0);
217  EXPECT_EQ(GeochemistryUnitConverter::toMoles(
218  11.0, GeochemistryUnitConverter::GeochemistryUnit::MOLAL, "CaCO3", mgd),
219  11.0);
220  EXPECT_NEAR(GeochemistryUnitConverter::toMoles(
221  11.0 * 40.08, GeochemistryUnitConverter::GeochemistryUnit::G, "Ca++", mgd),
222  11.0,
223  1.0E-8);
224  EXPECT_NEAR(
225  GeochemistryUnitConverter::toMoles(
226  11.0 * 40.08 / 1.0E3, GeochemistryUnitConverter::GeochemistryUnit::KG, "Ca++", mgd),
227  11.0,
228  1.0E-8);
229  EXPECT_NEAR(
230  GeochemistryUnitConverter::toMoles(
231  11.0 * 61.0171 * 1.0E3, GeochemistryUnitConverter::GeochemistryUnit::MG, "HCO3-", mgd),
232  11.0,
233  1.0E-8);
234  EXPECT_NEAR(
235  GeochemistryUnitConverter::toMoles(
236  11.0 * 1.0079 * 1.0E6, GeochemistryUnitConverter::GeochemistryUnit::UG, "H+", mgd),
237  11.0,
238  1.0E-3);
239  EXPECT_NEAR(GeochemistryUnitConverter::toMoles(
240  11.0 * 72.8543 * 1E-3,
241  GeochemistryUnitConverter::GeochemistryUnit::KG_PER_KG_SOLVENT,
242  ">(s)FeOH",
243  mgd),
244  11.0,
245  1.0E-8);
246  EXPECT_NEAR(GeochemistryUnitConverter::toMoles(
247  11.0 * 1234.567,
248  GeochemistryUnitConverter::GeochemistryUnit::G_PER_KG_SOLVENT,
249  ">(w)FeOH",
250  mgd),
251  11.0,
252  1.0E-8);
253  EXPECT_NEAR(GeochemistryUnitConverter::toMoles(
254  11.0 * 44.0098 * 1E3,
255  GeochemistryUnitConverter::GeochemistryUnit::MG_PER_KG_SOLVENT,
256  "CO2(aq)",
257  mgd),
258  11.0,
259  1.0E-8);
260  EXPECT_NEAR(GeochemistryUnitConverter::toMoles(
261  11.0 * 100.0892 * 1E6,
262  GeochemistryUnitConverter::GeochemistryUnit::UG_PER_KG_SOLVENT,
263  "Calcite",
264  mgd),
265  11.0,
266  1.0E-3);
267  EXPECT_NEAR(GeochemistryUnitConverter::toMoles(
268  11.0 * 106.8689 * 1E6,
269  GeochemistryUnitConverter::GeochemistryUnit::UG_PER_KG_SOLVENT,
270  "Fe(OH)3(ppd)",
271  mgd),
272  11.0,
273  1.0E-3);
274  EXPECT_NEAR(GeochemistryUnitConverter::toMoles(
275  11.0 * 16.0426,
276  GeochemistryUnitConverter::GeochemistryUnit::G_PER_KG_SOLVENT,
277  "CH4(g)",
278  mgd),
279  11.0,
280  1.0E-8);
281  EXPECT_NEAR(GeochemistryUnitConverter::toMoles(
282  11.0 * 88.8537 * 1E3,
283  GeochemistryUnitConverter::GeochemistryUnit::MG_PER_KG_SOLVENT,
284  "Something",
285  mgd),
286  11.0,
287  1.0E-8);
288  EXPECT_NEAR(GeochemistryUnitConverter::toMoles(11.0 * 164.1172 * 1E6,
289  GeochemistryUnitConverter::GeochemistryUnit::UG,
290  "(O-phth)--",
291  mgd),
292  11.0,
293  1.0E-3);
294  EXPECT_NEAR(
295  GeochemistryUnitConverter::toMoles(
296  11.0 * 71.8464 * 1E6, GeochemistryUnitConverter::GeochemistryUnit::UG, ">(s)FeO-", mgd),
297  11.0,
298  1.0E-3);
299  EXPECT_NEAR(GeochemistryUnitConverter::toMoles(
300  11.0 * 36.9340, GeochemistryUnitConverter::GeochemistryUnit::CM3, "Calcite", mgd),
301  11.0,
302  1.0E-8);
303  EXPECT_NEAR(
304  GeochemistryUnitConverter::toMoles(
305  11.0 * 34.3200, GeochemistryUnitConverter::GeochemistryUnit::CM3, "Fe(OH)3(ppd)", mgd),
306  11.0,
307  1.0E-8);
308  EXPECT_NEAR(
309  GeochemistryUnitConverter::toMoles(
310  11.0 * 20.8200, GeochemistryUnitConverter::GeochemistryUnit::CM3, "Something", mgd),
311  11.0,
312  1.0E-8);
313 }
GeochemistryUnitConverter::toMoles
Real toMoles(Real quantity, const GeochemistryUnit unit, const std::string &species_name, const ModelGeochemicalDatabase &mgd)
Calculates the amount of moles corresponding to "quantity" "unit"s of species name, OR calculates the molality corresponding to "quantity" "unit"s of species name, whichever is appropriate.
Definition: GeochemistryUnitConverter.C:52
mgd
const ModelGeochemicalDatabase mgd
Definition: GeochemistryUnitConverterTest.C:25

Variable Documentation

◆ db

const GeochemicalDatabaseReader db("database/moose_testdb.json", true, true, false)

Referenced by PorousFlowPorosityExponentialBase::computeQpProperties(), WCNSFV2PInterfaceAreaSourceSink::computeQpResidual(), PorousFlowVanGenuchten::d2RelativePermeability(), PorousFlowVanGenuchten::d2RelativePermeabilityNW(), PorousFlowVanGenuchten::dRelativePermeability(), PorousFlowVanGenuchten::dRelativePermeabilityNW(), TEST_F(), and GeochemicalDatabaseReader::validate().

◆ mgd

const ModelGeochemicalDatabase mgd = model.modelGeochemicalDatabase()

Definition at line 25 of file GeochemistryUnitConverterTest.C.

Referenced by TEST().

◆ model

const PertinentGeochemicalSystem model(db, {"H2O", "Ca++", "HCO3-", "H+", ">(s)FeOH", "Fe++", "CH4(aq)", "O2(aq)", ">(w)FeOH"}, {"Calcite", "Fe(OH)3(ppd)"}, {"CH4(g)"}, {"Something"}, {"(O-phth)--"}, {">(s)FeO-"}, "O2(aq)", "e-")
Generated on Tue Nov 4 2025 20:19:24 for https://mooseframework.inl.gov by   doxygen 1.8.14