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Everything compiles again.
1 parent c320232 commit b4ec76c

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6 files changed

+79
-65
lines changed

6 files changed

+79
-65
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‎src/common/CArrayWrapper.hpp‎

Lines changed: 1 addition & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -276,7 +276,7 @@ struct CArrayWrapper< T, DIM0, DIM1, DIM2 >
276276
*
277277
* This allows usage like `obj[dim0][dim1][dim2]`.
278278
*/
279-
HPCREACT_HOST_DEVICE constexpr inline T ( & operator[]( int const dim0 ))[DIM1][DIM2]
279+
HPCREACT_HOST_DEVICE constexpr inline T ( & operator[]( int const dim0 ))[DIM1][DIM2]
280280
{
281281
return data[dim0];
282282
}

‎src/reactions/bulkGeneric/Parameters.hpp‎

Lines changed: 10 additions & 0 deletions
Original file line numberDiff line numberDiff line change
@@ -101,6 +101,16 @@ struct MixedReactionsParameters
101101

102102
constexpr MixedReactionsParameters() = default;
103103

104+
constexpr MixedReactionsParameters( CArrayWrapper< RealType, NUM_REACTIONS, NUM_SPECIES > const & stoichiometricMatrix,
105+
CArrayWrapper< RealType, NUM_REACTIONS > const & equilibriumConstant,
106+
CArrayWrapper< RealType, NUM_REACTIONS > const & rateConstantForward,
107+
CArrayWrapper< RealType, NUM_REACTIONS > const & rateConstantReverse ):
108+
m_stoichiometricMatrix( stoichiometricMatrix ),
109+
m_equilibriumConstant( equilibriumConstant ),
110+
m_rateConstantForward( rateConstantForward ),
111+
m_rateConstantReverse( rateConstantReverse )
112+
{}
113+
104114
static constexpr IndexType numReactions() { return NUM_REACTIONS; }
105115

106116
static constexpr IndexType numKineticReactions() { return NUM_REACTIONS - NUM_EQ_REACTIONS; }

‎src/reactions/bulkGeneric/ParametersPredefined.hpp‎

Lines changed: 39 additions & 33 deletions
Original file line numberDiff line numberDiff line change
@@ -72,14 +72,12 @@ simpleTestRateParams =
7272
{ 1.0, 0.5 }
7373
};
7474

75-
using carbonateSystemType = MixedReactionsParameters< double, int, int, 18, 12, 10 > ;
75+
using carbonateSystemAllKineticType = MixedReactionsParameters< double, int, int, 18, 11, 0 >;
76+
using carbonateSystemAllEquilibriumType = MixedReactionsParameters< double, int, int, 18, 11, 11 >;
77+
using carbonateSystemType = MixedReactionsParameters< double, int, int, 18, 11, 10 >;
7678

77-
constexpr
78-
MixedReactionsParameters< double, int, int, 18, 12, 10 >
79-
carbonateSystem =
80-
{
81-
// stoichiometric matrix
82-
{// OH- CO2 CO3-2 H2CO3 CaHCO3+ CaSO4 CaCl+ CaCl2 MgSO4 NaSO4- CaCO3 H+ HCO3- Ca+2 SO4-2 Cl- Mg+2 Na+
79+
constexpr CArrayWrapper<double, 11, 18> stoichMatrix =
80+
{ // OH- CO2 CO3-2 H2CO3 CaHCO3+ CaSO4 CaCl+ CaCl2 MgSO4 NaSO4- CaCO3 H+ HCO3- Ca+2 SO4-2 Cl- Mg+2 Na+
8381
{ -1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, -1, 0, 0, 0, 0, 0 }, // OH- + H+ = H2O
8482
{ 0, -1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 0, 0, 0, 0, 0 }, // CO2 + H2O = H+ + HCO3-
8583
{ 0, 0, -1, 0, 0, 0, 0, 0, 0, 0, 0, -1, 1, 0, 0, 0, 0, 0 }, // CO3-2 + H+ = HCO3-
@@ -90,11 +88,13 @@ carbonateSystem =
9088
{ 0, 0, 0, 0, 0, 0, 0, -1, 0, 0, 0, 0, 0, 1, 0, 2, 0, 0 }, // CaCl2 = Ca+2 + 2Cl-
9189
{ 0, 0, 0, 0, 0, 0, 0, 0, -1, 0, 0, 0, 0, 0, 1, 0, 1, 0 }, // MgSO4 = Mg+2 + SO4-2
9290
{ 0, 0, 0, 0, 0, 0, 0, 0, 0, -1, 0, 0, 0, 0, 1, 0, 0, 1 }, // NaSO4- = Na+ + SO4-2
93-
{ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, -1, -1, 1, 1, 0, 0, 0, 0 }, // CaCO3 + H+ = Ca+2 + HCO3- (kinetic)
94-
{ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, -2, 0, 1, 0, 0, 0, 0 } // Ca(OH)2​(s) + 2H+ = Ca2+ + 2H2​O (kinetic)
95-
},
96-
// equilibrium constants
97-
{ 9.77E+13, // OH- + H+ = H2O
91+
{ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, -1, -1, 1, 1, 0, 0, 0, 0 } // CaCO3 + H+ = Ca+2 + HCO3- (kinetic)
92+
// { 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, -2, 0, 1, 0, 0, 0, 0 } // Ca(OH)2​(s) + 2H+ = Ca2+ + 2H2​O (kinetic)
93+
};
94+
95+
constexpr CArrayWrapper<double, 11> equilibriumConstants =
96+
{
97+
9.77E+13, // OH- + H+ = H2O
9898
4.37E-07, // CO2 + H2O = H+ + HCO3-
9999
2.14E+10, // CO3-2 + H+ = HCO3-
100100
1.70E-04, // H2CO3 = H+ + HCO3-
@@ -104,23 +104,27 @@ carbonateSystem =
104104
3.98E+00, // CaCl2 = Ca+2 + 2Cl-
105105
3.72E-03, // MgSO4 = Mg+2 + SO4-2
106106
1.51E-01, // NaSO4- = Na+ + SO4-2
107-
1.17E+07, // CaCO3 + H+ = Ca+2 + HCO3-
108-
1 },
109-
// forward rate constants
110-
{ 1.4e11, // OH- + H+ = H2O
111-
0.039, // CO2 + H2O = H+ + HCO3-
112-
1.0e10, // CO3-2 + H+ = HCO3-
113-
0.57, // H2CO3 = H+ + HCO3-
114-
1.5e6, // CaHCO3+ = Ca+2 + HCO3-
115-
1.0e5, // CaSO4 = Ca+2 + SO4-2
116-
1.0e8, // CaCl+ = Ca+2 + Cl-
117-
1.0e7, // CaCl2 = Ca+2 + 2Cl-
118-
1.0e5, // MgSO4 = Mg+2 + SO4-2
119-
1.0e7, // NaSO4- = Na+ + SO4-2
120-
1.0e5, // CaCO3 + H+ = Ca+2 + HCO3-
121-
1 // Ca(OH)2​(s) + 2H+ = Ca2+ + 2H2​O (kinetic)
122-
},
123-
// reverse rate constants
107+
1.17E+07 // CaCO3 + H+ = Ca+2 + HCO3- (kinetic)
108+
// 1
109+
}; // Ca(OH)2​(s) + 2H+ = Ca2+ + 2H2​O (kinetic)
110+
111+
constexpr CArrayWrapper<double, 11> forwardRates =
112+
{
113+
9.77E+13, // OH- + H+ = H2O
114+
4.37E-07, // CO2 + H2O = H+ + HCO3-
115+
2.14E+10, // CO3-2 + H+ = HCO3-
116+
1.70E-04, // H2CO3 = H+ + HCO3-
117+
8.13E-02, // CaHCO3+ = Ca+2 + HCO3-
118+
6.92E-03, // CaSO4 = Ca+2 + SO4-2
119+
4.68E+00, // CaCl+ = Ca+2 + Cl-
120+
3.98E+00, // CaCl2 = Ca+2 + 2Cl-
121+
3.72E-03, // MgSO4 = Mg+2 + SO4-2
122+
1.51E-01, // NaSO4- = Na+ + SO4-2
123+
1.17E+07 // CaCO3 + H+ = Ca+2 + HCO3- (kinetic)
124+
// 1
125+
}; // Ca(OH)2​(s) + 2H+ = Ca2+ + 2H2​O (kinetic)
126+
127+
constexpr CArrayWrapper<double, 11> reverseRates =
124128
{ 1.43E-03, // OH- + H+ = H2O
125129
8.92E+04, // CO2 + H2O = H+ + HCO3-
126130
4.67E-01, // CO3-2 + H+ = HCO3-
@@ -131,11 +135,13 @@ carbonateSystem =
131135
2.51E+06, // CaCl2 = Ca+2 + 2Cl-
132136
2.69E+07, // MgSO4 = Mg+2 + SO4-2
133137
6.62E+07, // NaSO4- = Na+ + SO4-2
134-
1.85E+07, // CaCO3 + H+ = Ca+2 + HCO3-
135-
1 // Ca(OH)2​(s) + 2H+ = Ca2+ + 2H2​O (kinetic)
136-
}
137-
};
138+
1.85E+07 // CaCO3 + H+ = Ca+2 + HCO3-
139+
// 1 // Ca(OH)2​(s) + 2H+ = Ca2+ + 2H2​O (kinetic)
140+
};
138141

142+
carbonateSystemAllKineticType carbonateSystemAllKinetic( stoichMatrix, equilibriumConstants, forwardRates, reverseRates );
143+
carbonateSystemAllEquilibriumType carbonateSystemAllEquilibrium( stoichMatrix, equilibriumConstants, forwardRates, reverseRates );
144+
carbonateSystemType carbonateSystem( stoichMatrix, equilibriumConstants, forwardRates, reverseRates );
139145

140146
// *****UNCRUSTIFY-ON******
141147
} // namespace bulkGeneric

‎src/reactions/bulkGeneric/unitTests/testEquilibriumReactions.cpp‎

Lines changed: 9 additions & 9 deletions
Original file line numberDiff line numberDiff line change
@@ -148,7 +148,7 @@ TEST( testEquilibriumReactions, testEnforceEquilibrium )
148148

149149

150150
//******************************************************************************
151-
TEST( testEquilibriumReactions, testCarbonateSystem )
151+
TEST( testEquilibriumReactions, testcarbonateSystemAllEquilibrium )
152152
{
153153
double const initialSpeciesConcentration[18] =
154154
{
@@ -157,12 +157,12 @@ TEST( testEquilibriumReactions, testCarbonateSystem )
157157
1.0e-16, // CO3-2
158158
1.0e-16, // H2CO3
159159
1.0e-16, // CaHCO3+
160-
1.0e-16, // CaCO3
161160
1.0e-16, // CaSO4
162161
1.0e-16, // CaCl+
163162
1.0e-16, // CaCl2
164163
1.0e-16, // MgSO4
165164
1.0e-16, // NaSO4-
165+
1.0e-16, // CaCO3
166166
3.76e-1, // H+
167167
3.76e-1, // HCO3-
168168
3.87e-2, // Ca+2
@@ -178,12 +178,12 @@ TEST( testEquilibriumReactions, testCarbonateSystem )
178178
3.956656978189456e-11, // CO3-2
179179
9.629355924567627e-04, // H2CO3
180180
6.739226982791492e-05, // CaHCO3+
181-
1.065032288527957e-09, // CaCO3
182181
5.298329882666738e-03, // CaSO4
183182
5.844517547638333e-03, // CaCl+
184183
1.277319392670652e-02, // CaCl2
185184
6.618125707964991e-03, // MgSO4
186185
1.769217213462983e-02, // NaSO4-
186+
1.065032288527957e-09, // CaCO3
187187
4.396954721488358e-04, // H+
188188
3.723009698453808e-04, // HCO3-
189189
1.471656530812871e-02, // Ca+2
@@ -194,30 +194,30 @@ TEST( testEquilibriumReactions, testCarbonateSystem )
194194
};
195195

196196
std::cout<<" RESIDUAL_FORM 0:"<<std::endl;
197-
testEnforceEquilibrium< double, 0 >( carbonateSystem.equilibriumReactionsParameters(),
197+
testEnforceEquilibrium< double, 0 >( carbonateSystemAllEquilibrium.equilibriumReactionsParameters(),
198198
initialSpeciesConcentration,
199199
expectedSpeciesConcentrations );
200200

201201
// std::cout<<" RESIDUAL_FORM 1:"<<std::endl;
202-
// testEnforceEquilibrium< double, 1 >( carbonateSystem.equilibriumReactionsParameters(),
202+
// testEnforceEquilibrium< double, 1 >( carbonateSystemAllEquilibrium.equilibriumReactionsParameters(),
203203
// initialSpeciesConcentration,
204204
// expectedSpeciesConcentrations );
205205

206206
std::cout<<" RESIDUAL_FORM 2:"<<std::endl;
207-
testEnforceEquilibrium< double, 2 >( carbonateSystem.equilibriumReactionsParameters(),
207+
testEnforceEquilibrium< double, 2 >( carbonateSystemAllEquilibrium.equilibriumReactionsParameters(),
208208
initialSpeciesConcentration,
209209
expectedSpeciesConcentrations );
210210

211211
}
212212

213213

214-
TEST( testEquilibriumReactions, testCarbonateSystem2 )
214+
TEST( testEquilibriumReactions, testcarbonateSystemAllEquilibrium2 )
215215
{
216216
using EquilibriumReactionsType = EquilibriumReactions< double,
217217
int,
218218
int >;
219219

220-
constexpr int numPrimarySpecies = carbonateSystem.numPrimarySpecies();
220+
constexpr int numPrimarySpecies = carbonateSystemAllEquilibrium.numPrimarySpecies();
221221

222222
double const initialPrimarySpeciesConcentration[numPrimarySpecies] =
223223
{
@@ -245,7 +245,7 @@ TEST( testEquilibriumReactions, testCarbonateSystem2 )
245245

246246
double logPrimarySpeciesConcentration[numPrimarySpecies];
247247
EquilibriumReactionsType::enforceEquilibrium_Aggregate( 0,
248-
carbonateSystem,
248+
carbonateSystemAllEquilibrium,
249249
logInitialPrimarySpeciesConcentration,
250250
logPrimarySpeciesConcentration );
251251

‎src/reactions/bulkGeneric/unitTests/testKineticReactions.cpp‎

Lines changed: 13 additions & 13 deletions
Original file line numberDiff line numberDiff line change
@@ -110,7 +110,7 @@ TEST( testKineticReactions, computeReactionRatesTest_simpleKineticTestRateParams
110110
expectedReactionRatesDerivatives );
111111
}
112112

113-
TEST( testKineticReactions, computeReactionRatesTest_carbonateSystem )
113+
TEST( testKineticReactions, computeReactionRatesTest_carbonateSystemAllKinetic )
114114
{
115115
double const initialSpeciesConcentration[18] =
116116
{
@@ -119,12 +119,12 @@ TEST( testKineticReactions, computeReactionRatesTest_carbonateSystem )
119119
1.0e-16, // CO3-2
120120
1.0e-16, // H2CO3
121121
1.0e-16, // CaHCO3+
122-
1.0e-16, // CaCO3
123122
1.0e-16, // CaSO4
124123
1.0e-16, // CaCl+
125124
1.0e-16, // CaCl2
126125
1.0e-16, // MgSO4
127126
1.0e-16, // NaSO4-
127+
1.0e-16, // CaCO3
128128
3.76e-1, // H+
129129
3.76e-1, // HCO3-
130130
3.87e-2, // Ca+2
@@ -151,11 +151,11 @@ TEST( testKineticReactions, computeReactionRatesTest_carbonateSystem )
151151
{ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1.e7, 0, 0, 0, -7.2158e7, 0, 0, -2.12502e6 }
152152
};
153153

154-
computeReactionRatesTest< double, false >( carbonateSystem,
154+
computeReactionRatesTest< double, false >( carbonateSystemAllKinetic.kineticReactionsParameters(),
155155
initialSpeciesConcentration,
156156
expectedReactionRates,
157157
expectedReactionRatesDerivatives );
158-
computeReactionRatesTest< double, true >( carbonateSystem,
158+
computeReactionRatesTest< double, true >( carbonateSystemAllKinetic.kineticReactionsParameters(),
159159
initialSpeciesConcentration,
160160
expectedReactionRates,
161161
expectedReactionRatesDerivatives );
@@ -235,19 +235,19 @@ TEST( testKineticReactions, computeSpeciesRatesTest_simpleKineticTestRateParams
235235
{ 0.0, 0.0, -0.5, -0.25, 0.0 },
236236
{ 0.0, 0.0, 1.0, 0.5, 0.0 } };
237237

238-
computeSpeciesRatesTest< double, false >( simpleKineticTestRateParams,
238+
computeSpeciesRatesTest< double, false >( simpleKineticTestRateParams.kineticReactionsParameters(),
239239
initialSpeciesConcentration,
240240
expectedSpeciesRates,
241241
expectedSpeciesRatesDerivatives );
242242

243-
computeSpeciesRatesTest< double, true >( simpleKineticTestRateParams,
243+
computeSpeciesRatesTest< double, true >( simpleKineticTestRateParams.kineticReactionsParameters(),
244244
initialSpeciesConcentration,
245245
expectedSpeciesRates,
246246
expectedSpeciesRatesDerivatives );
247247

248248
}
249249

250-
// TEST( testKineticReactions, computeSpeciesRatesTest_carbonateSystem )
250+
// TEST( testKineticReactions, computeSpeciesRatesTest_carbonateSystemAllKinetic )
251251
// {
252252
// double const initialSpeciesConcentration[18] =
253253
// {
@@ -274,7 +274,7 @@ TEST( testKineticReactions, computeSpeciesRatesTest_simpleKineticTestRateParams
274274
// double const expectedSpeciesRates[18] = { 0 };
275275
// double const expectedSpeciesRatesDerivatives[18][18] = {{ 0}};
276276

277-
// computeSpeciesRatesTest< double, false >( carbonateSystem,
277+
// computeSpeciesRatesTest< double, false >( carbonateSystemAllKinetic,
278278
// initialSpeciesConcentration,
279279
// expectedSpeciesRates,
280280
// expectedSpeciesRatesDerivatives );
@@ -357,7 +357,7 @@ TEST( testKineticReactions, testTimeStep )
357357
double const initialSpeciesConcentration[5] = { 1.0, 1.0e-16, 0.5, 1.0, 1.0e-16 };
358358
double const expectedSpeciesConcentrations[5] = { 3.92138293924124e-01, 3.03930853037938e-01, 5.05945480771998e-01, 7.02014627734060e-01, 5.95970744531880e-01 };
359359

360-
timeStepTest< double, false >( simpleKineticTestRateParams,
360+
timeStepTest< double, false >( simpleKineticTestRateParams.kineticReactionsParameters(),
361361
2.0,
362362
10,
363363
initialSpeciesConcentration,
@@ -372,7 +372,7 @@ TEST( testKineticReactions, testTimeStep )
372372
}
373373

374374

375-
TEST( testKineticReactions, testTimeStep_carbonateSystem )
375+
TEST( testKineticReactions, testTimeStep_carbonateSystemAllKinetic )
376376
{
377377
double const initialSpeciesConcentration[18] =
378378
{
@@ -381,12 +381,12 @@ TEST( testKineticReactions, testTimeStep_carbonateSystem )
381381
1.0e-16, // CO3-2
382382
1.0e-16, // H2CO3
383383
1.0e-16, // CaHCO3+
384-
1.0e-16, // CaCO3
385384
1.0e-16, // CaSO4
386385
1.0e-16, // CaCl+
387386
1.0e-16, // CaCl2
388387
1.0e-16, // MgSO4
389388
1.0e-16, // NaSO4-
389+
1.0e-16, // CaCO3
390390
3.76e-1, // H+
391391
3.76e-1, // HCO3-
392392
3.87e-2, // Ca+2
@@ -402,12 +402,12 @@ TEST( testKineticReactions, testTimeStep_carbonateSystem )
402402
3.956656978189456e-11, // CO3-2
403403
9.629355924567627e-04, // H2CO3
404404
6.739226982791492e-05, // CaHCO3+
405-
1.065032288527957e-09, // CaCO3
406405
5.298329882666738e-03, // CaSO4
407406
5.844517547638333e-03, // CaCl+
408407
1.277319392670652e-02, // CaCl2
409408
6.618125707964991e-03, // MgSO4
410409
1.769217213462983e-02, // NaSO4-
410+
1.065032288527957e-09, // CaCO3
411411
4.396954721488358e-04, // H+
412412
3.723009698453808e-04, // HCO3-
413413
1.471656530812871e-02, // Ca+2
@@ -417,7 +417,7 @@ TEST( testKineticReactions, testTimeStep_carbonateSystem )
417417
1.072307827865370e+00 // Na+1
418418
};
419419

420-
timeStepTest< double, false >( carbonateSystem,
420+
timeStepTest< double, false >( carbonateSystemAllKinetic.kineticReactionsParameters(),
421421
2.0,
422422
100000,
423423
initialSpeciesConcentration,

‎src/reactions/bulkGeneric/unitTests/testSpeciesUtilities.cpp‎

Lines changed: 7 additions & 9 deletions
Original file line numberDiff line numberDiff line change
@@ -11,10 +11,8 @@ using namespace hpcReact::bulkGeneric;
1111

1212
TEST( testUtilities, test_calculateLogSecondarySpeciesConcentration )
1313
{
14-
constexpr int numReactions = carbonateSystem.numReactions();
15-
constexpr int numSpecies = carbonateSystem.numSpecies();
16-
constexpr int numPrimarySpecies = carbonateSystem.numPrimarySpecies();
17-
constexpr int numSecondarySpecies = carbonateSystem.numSecondarySpecies();
14+
constexpr int numPrimarySpecies = carbonateSystemAllEquilibrium.numPrimarySpecies();
15+
constexpr int numSecondarySpecies = carbonateSystemAllEquilibrium.numSecondarySpecies();
1816

1917
double const logPrimarySpeciesSolution[numPrimarySpecies] =
2018
{
@@ -31,7 +29,7 @@ TEST( testUtilities, test_calculateLogSecondarySpeciesConcentration )
3129

3230
calculateLogSecondarySpeciesConcentration< double,
3331
int,
34-
int >( carbonateSystem,
32+
int >( carbonateSystemAllEquilibrium,
3533
logPrimarySpeciesSolution,
3634
logSecondarySpeciesConcentrations );
3735

@@ -62,7 +60,7 @@ TEST( testUtilities, test_calculateLogSecondarySpeciesConcentration )
6260

6361
calculateLogSecondarySpeciesConcentrationWrtLogC< double,
6462
int,
65-
int >( carbonateSystem,
63+
int >( carbonateSystemAllEquilibrium,
6664
logPrimarySpeciesSolution,
6765
logSecondarySpeciesConcentrations,
6866
dLogSecondarySpeciesConcentrations_dLogPrimarySpeciesConcentrations );
@@ -98,7 +96,7 @@ TEST( testUtilities, test_calculateLogSecondarySpeciesConcentration )
9896

9997
TEST( testUtilities, testcalculateAggregatePrimaryConcentrationsWrtLogC )
10098
{
101-
constexpr int numPrimarySpecies = carbonateSystem.numPrimarySpecies();
99+
constexpr int numPrimarySpecies = carbonateSystemAllEquilibrium.numPrimarySpecies();
102100

103101
double primarySpeciesSolution[numPrimarySpecies] =
104102
{
@@ -120,9 +118,9 @@ TEST( testUtilities, testcalculateAggregatePrimaryConcentrationsWrtLogC )
120118
double aggregatePrimarySpeciesConcentration[numPrimarySpecies] = {0};
121119

122120

123-
CArrayWrapper< double, numPrimarySpecies, numPrimarySpecies > dAggregatePrimarySpeciesConcentrationsDerivatives_dLogPrimarySpeciesConcentrations = {{{0.0}}};
121+
CArrayWrapper< double, numPrimarySpecies, numPrimarySpecies > dAggregatePrimarySpeciesConcentrationsDerivatives_dLogPrimarySpeciesConcentrations = {{0.0}};
124122

125-
calculateAggregatePrimaryConcentrationsWrtLogC< double, int, int >( carbonateSystem,
123+
calculateAggregatePrimaryConcentrationsWrtLogC< double, int, int >( carbonateSystemAllEquilibrium,
126124
primarySpeciesSolution,
127125
aggregatePrimarySpeciesConcentration,
128126
dAggregatePrimarySpeciesConcentrationsDerivatives_dLogPrimarySpeciesConcentrations );

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