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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}
mgd
const ModelGeochemicalDatabase mgd
Definition GeochemistryUnitConverterTest.C:25
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,...
Definition GeochemistryUnitConverter.C:52

◆ 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}
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}

Variable Documentation

◆ db

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