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CusiniMCusiniM
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add benchmark system.
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-190
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5 files changed

+71
-190
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src/reactions/exampleSystems/GenericSystems.hpp renamed to src/reactions/exampleSystems/BulkGeneric.hpp

Lines changed: 3 additions & 3 deletions
Original file line numberDiff line numberDiff line change
@@ -4,7 +4,7 @@
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namespace hpcReact
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{
7-
namespace reactionsSystems
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namespace bulkGeneric
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{
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// turn off uncrustify to allow for better readability of the parameters
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// *****UNCRUSTIFY-OFF******
@@ -53,7 +53,7 @@ simpleKineticTestRateParams =
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{ 1.0, 0.5 }
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};
5555

56-
using simpleTestType = MixedReactionsParameters< double, int, int, 5, 2, 2 >;
56+
using simpleTestType = reactionsSystems::MixedReactionsParameters< double, int, int, 5, 2, 2 >;
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constexpr
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simpleTestType
@@ -72,5 +72,5 @@ simpleTestRateParams =
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{ 1.0, 0.5 }
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};
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75-
} // namespace reactionsSystems
75+
} // namespace bulkGeneric
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} // namespace hpcReact

‎src/reactions/exampleSystems/MoMasBenchmark.hpp‎

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Original file line numberDiff line numberDiff line change
@@ -0,0 +1,60 @@
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#pragma once
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#include "../reactionsSystems/Parameters.hpp"
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namespace hpcReact
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{
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namespace MomMasBenchmark
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{
9+
using simpleSystemType = reactionsSystems::MixedReactionsParameters< double, int, int, 12, 7, 7 >;
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11+
constexpr simpleSystemType simpleSystemParams =
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{
13+
// Stoichiometric matrix [7 rows × 12 columns]
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// Columns 0–6 are secondary species (must be -1 on the diagonal)
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// Columns 7–11 are primary species: {X1, X2, X3, X4, S}
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{
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// C1 C2 C3 C4 C5 CS1 CS2 | X1 X2 X3 X4 S
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{ -1, 0, 0, 0, 0, 0, 0, 0, -1, 0, 0, 0 }, // C1 = X2
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{ 0, -1, 0, 0, 0, 0, 0, 0, 1, 1, 0, 0 }, // C2 = X2 * X3
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{ 0, 0, -1, 0, 0, 0, 0, 0, -1, 0, 1, 0 }, // C3 = X2 * X4
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{ 0, 0, 0, -1, 0, 0, 0, 0, -4, 1, 3, 0 }, // C4 = -4X2 + X3 + 3X4
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{ 0, 0, 0, 0, -1, 0, 0, 0, 4, 3, 1, 0 }, // C5 = 4X2 + 3X3 + X4
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{ 0, 0, 0, 0, 0, -1, 0, 0, 3, 1, 0, 1 }, // CS1 = 3X2 + X3 + S
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{ 0, 0, 0, 0, 0, 0, -1, 0, -3, 0, 1, 2 } // CS2 = -3X2 + X4 + 2S
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},
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// Equilibrium constants K
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{
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1.0e-12, // C1
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1.0, // C2
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1.0, // C3
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0.1, // C4
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1.0e35, // C5
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1.0e6, // CS1
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1.0e-1 // CS2
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},
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// Forward rate constants
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{ 0.0,
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0.0,
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0.0,
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0.0,
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0.0,
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0.0,
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0.0
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},
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// Reverse rate constants
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{ 0.0,
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0.0,
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0.0,
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0.0,
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0.0,
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0.0,
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0.0
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},
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};
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} // namespace MomMasBenchmark
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} // namespace hpcReact

‎src/reactions/exampleSystems/unitTests/testEquilibriumReactions.cpp‎

Lines changed: 3 additions & 4 deletions
Original file line numberDiff line numberDiff line change
@@ -1,11 +1,10 @@
11

22
#include "reactions/unitTestUtilities/equilibriumReactionsTestUtilities.hpp"
3-
#include "../GenericSystems.hpp"
3+
#include "../BulkGeneric.hpp"
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#include <gtest/gtest.h>
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using namespace hpcReact;
8-
using namespace hpcReact::reactionsSystems;
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using namespace hpcReact::unitTest_utilities;
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//******************************************************************************
@@ -20,7 +19,7 @@ TEST( testEquilibriumReactions, computeResidualAndJacobianTest )
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double const expectedJacobian[2][2] =
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{ { 1.0e16, -2.0 },
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{ -2.0, 4.0e16 } };
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computeResidualAndJacobianTest< double, 2 >( simpleTestRateParams,
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computeResidualAndJacobianTest< double, 2 >( bulkGeneric::simpleTestRateParams,
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initialSpeciesConcentration,
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expectedResiduals,
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expectedJacobian );
@@ -36,7 +35,7 @@ TEST( testEquilibriumReactions, testEnforceEquilibrium )
3635

3736

3837
std::cout<<" RESIDUAL_FORM 2:"<<std::endl;
39-
testEnforceEquilibrium< double, 2 >( simpleTestRateParams.equilibriumReactionsParameters(),
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testEnforceEquilibrium< double, 2 >( bulkGeneric::simpleTestRateParams.equilibriumReactionsParameters(),
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initialSpeciesConcentration,
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expectedSpeciesConcentrations );
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‎src/reactions/exampleSystems/unitTests/testKineticReactions.cpp‎

Lines changed: 5 additions & 5 deletions
Original file line numberDiff line numberDiff line change
@@ -17,11 +17,11 @@ TEST( testKineticReactions, computeReactionRatesTest_simpleKineticTestRateParams
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double const expectedReactionRatesDerivatives[][5] =
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{ { 2.0, -0.5, 0.0, 0.0, 0.0 },
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{ 0.0, 0.0, 0.5, 0.25, 0.0 } };
20-
computeReactionRatesTest< double, false >( simpleKineticTestRateParams.kineticReactionsParameters(),
20+
computeReactionRatesTest< double, false >( bulkGeneric::simpleKineticTestRateParams.kineticReactionsParameters(),
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initialSpeciesConcentration,
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expectedReactionRates,
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expectedReactionRatesDerivatives );
24-
computeReactionRatesTest< double, true >( simpleKineticTestRateParams.kineticReactionsParameters(),
24+
computeReactionRatesTest< double, true >( bulkGeneric::simpleKineticTestRateParams.kineticReactionsParameters(),
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initialSpeciesConcentration,
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expectedReactionRates,
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expectedReactionRatesDerivatives );
@@ -38,12 +38,12 @@ TEST( testKineticReactions, computeSpeciesRatesTest_simpleKineticTestRateParams
3838
{ 0.0, 0.0, -0.5, -0.25, 0.0 },
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{ 0.0, 0.0, 1.0, 0.5, 0.0 } };
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41-
computeSpeciesRatesTest< double, false >( simpleKineticTestRateParams.kineticReactionsParameters(),
41+
computeSpeciesRatesTest< double, false >( bulkGeneric::simpleKineticTestRateParams.kineticReactionsParameters(),
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initialSpeciesConcentration,
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expectedSpeciesRates,
4444
expectedSpeciesRatesDerivatives );
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46-
computeSpeciesRatesTest< double, true >( simpleKineticTestRateParams.kineticReactionsParameters(),
46+
computeSpeciesRatesTest< double, true >( bulkGeneric::simpleKineticTestRateParams.kineticReactionsParameters(),
4747
initialSpeciesConcentration,
4848
expectedSpeciesRates,
4949
expectedSpeciesRatesDerivatives );
@@ -56,7 +56,7 @@ TEST( testKineticReactions, testTimeStep )
5656
double const initialSpeciesConcentration[5] = { 1.0, 1.0e-16, 0.5, 1.0, 1.0e-16 };
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double const expectedSpeciesConcentrations[5] = { 3.92138293924124e-01, 3.03930853037938e-01, 5.05945480771998e-01, 7.02014627734060e-01, 5.95970744531880e-01 };
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59-
timeStepTest< double, false >( simpleKineticTestRateParams.kineticReactionsParameters(),
59+
timeStepTest< double, false >( bulkGeneric::simpleKineticTestRateParams.kineticReactionsParameters(),
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2.0,
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10,
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initialSpeciesConcentration,

‎src/reactions/exampleSystems/unitTests/testMixedReactions.cpp‎

Lines changed: 0 additions & 178 deletions
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