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WIP: Add PowerLawParameterParameterDependence
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@schmoelder
schmoelder committed Jan 20, 2023
1 parent d424c21 commit c18b15f
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Showing 9 changed files with 123 additions and 28 deletions.
1 change: 1 addition & 0 deletions src/libcadet/CMakeLists.txt
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Expand Up @@ -148,6 +148,7 @@ set(LIBCADET_SOURCES
${CMAKE_SOURCE_DIR}/src/libcadet/model/paramdep/ParameterDependenceBase.cpp
${CMAKE_SOURCE_DIR}/src/libcadet/model/paramdep/LiquidSaltSolidParameterDependence.cpp
${CMAKE_SOURCE_DIR}/src/libcadet/model/paramdep/DummyParameterDependence.cpp
${CMAKE_SOURCE_DIR}/src/libcadet/model/paramdep/PowerLawParameterDependence.cpp
)

# LIBCADET_NONLINALG_SOURCES holds all source files for LIBCADET_NONLINALG target
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2 changes: 2 additions & 0 deletions src/libcadet/ParameterDependenceFactory.cpp
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Expand Up @@ -22,6 +22,7 @@ namespace cadet
void registerLiquidSaltSolidParamDependence(std::unordered_map<std::string, std::function<model::IParameterStateDependence*()>>& paramDeps);
void registerDummyParamDependence(std::unordered_map<std::string, std::function<model::IParameterStateDependence*()>>& paramDeps);
void registerDummyParamDependence(std::unordered_map<std::string, std::function<model::IParameterParameterDependence*()>>& paramDeps);
void registerPowerLawParamDependence(std::unordered_map<std::string, std::function<model::IParameterParameterDependence*()>>& paramDeps);
}
}

Expand All @@ -33,6 +34,7 @@ namespace cadet

// Register all ParamParam dependencies
model::paramdep::registerDummyParamDependence(_paramParamDeps);
model::paramdep::registerPowerLawParamDependence(_paramParamDeps);
}

ParameterDependenceFactory::~ParameterDependenceFactory() { }
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4 changes: 2 additions & 2 deletions src/libcadet/model/paramdep/DummyParameterDependence.cpp
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Expand Up @@ -107,13 +107,13 @@ class DummyParameterParameterDependence : public ParameterParameterDependenceBas
}

template <typename ParamType>
ParamType getValue(UnitOpIdx unitOpIdx, const std::unordered_map<ParameterId, active*>& params, const ColumnPosition& colPos, int comp, int parType, int bnd) const
ParamType getValueImpl(UnitOpIdx unitOpIdx, const std::unordered_map<ParameterId, active*>& params, const ColumnPosition& colPos, int comp, int parType, int bnd) const
{
return 0.0;
}

template <typename ParamType>
ParamType getValue(UnitOpIdx unitOpIdx, const std::unordered_map<ParameterId, active*>& params, const ColumnPosition& colPos, int comp, int parType, int bnd, const ParamType& val) const
ParamType getValueImpl(UnitOpIdx unitOpIdx, const std::unordered_map<ParameterId, active*>& params, const ColumnPosition& colPos, int comp, int parType, int bnd, const ParamType& val) const
{
return 0.0;
}
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2 changes: 1 addition & 1 deletion src/libcadet/model/paramdep/LiquidSaltSolidParameterDependence.cpp
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Expand Up @@ -307,7 +307,7 @@ namespace paramdep
paramDeps[PowerLiquidSaltSolidParameterStateDependence::identifier()] = []() { return new PowerLiquidSaltSolidParameterStateDependence(); };
paramDeps[ColloidalAffinityLiquidSaltSolidParameterStateDependence::identifier()] = []() { return new ColloidalAffinityLiquidSaltSolidParameterStateDependence(); };
}
} // namespace reaction
} // namespace paramdep

} // namespace model

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10 changes: 5 additions & 5 deletions src/libcadet/model/paramdep/ParameterDependenceBase.hpp
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Expand Up @@ -241,25 +241,25 @@ class ParameterParameterDependenceBase : public IParameterParameterDependence
*
* The implementation is inserted inline in the class declaration.
*/
#define CADET_PARAMETERPARAMETERDEPENDENCE_BOILERPLATE \
#define CADET_PARAMETERPARAMETERDEPENDENCE_BOILERPLATE \
virtual double getValue(UnitOpIdx unitOpIdx, const std::unordered_map<ParameterId, active*>& params, const ColumnPosition& colPos, int comp, int parType, int bnd, double val) const \
{ \
return getValue<double>(unitOpIdx, params, colPos, comp, parType, bnd, val); \
return getValueImpl<double>(unitOpIdx, params, colPos, comp, parType, bnd, val); \
} \
\
virtual active getValue(UnitOpIdx unitOpIdx, const std::unordered_map<ParameterId, active*>& params, const ColumnPosition& colPos, int comp, int parType, int bnd, const active& val) const \
{ \
return getValue<active>(unitOpIdx, params, colPos, comp, parType, bnd, val); \
return getValueImpl<active>(unitOpIdx, params, colPos, comp, parType, bnd, val); \
} \
\
virtual double getValue(UnitOpIdx unitOpIdx, const std::unordered_map<ParameterId, active*>& params, const ColumnPosition& colPos, int comp, int parType, int bnd) const \
{ \
return getValue<double>(unitOpIdx, params, colPos, comp, parType, bnd); \
return getValueImpl<double>(unitOpIdx, params, colPos, comp, parType, bnd); \
} \
\
virtual active getValueActive(UnitOpIdx unitOpIdx, const std::unordered_map<ParameterId, active*>& params, const ColumnPosition& colPos, int comp, int parType, int bnd) const \
{ \
return getValue<active>(unitOpIdx, params, colPos, comp, parType, bnd); \
return getValueImpl<active>(unitOpIdx, params, colPos, comp, parType, bnd); \
}


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87 changes: 87 additions & 0 deletions src/libcadet/model/paramdep/PowerLawParameterDependence.cpp
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@@ -0,0 +1,87 @@
// =============================================================================
// CADET
//
// Copyright © 2008-2022: The CADET Authors
// Please see the AUTHORS and CONTRIBUTORS file.
//
// All rights reserved. This program and the accompanying materials
// are made available under the terms of the GNU Public License v3.0 (or, at
// your option, any later version) which accompanies this distribution, and
// is available at http://www.gnu.org/licenses/gpl.html
// =============================================================================

#include "model/paramdep/ParameterDependenceBase.hpp"
#include "SimulationTypes.hpp"
#include "cadet/ParameterId.hpp"

#include <cmath>

namespace cadet
{
namespace model
{

/**
* @brief Defines a power law parameter parameter dependence
* @details The parameter dependence is defined as
* @f[\begin{align}
p_{new}(p) = \alpha p^k,
\end{align} @f]
where @f$ \alpha @f$ and @f$ k @f$ are (meta-)parameters.
*/
class PowerLawParameterParameterDependence : public ParameterParameterDependenceBase
{
public:

PowerLawParameterParameterDependence() { }
virtual ~PowerLawParameterParameterDependence() CADET_NOEXCEPT { }

static const char* identifier() { return "POWER_LAW"; }
virtual const char* name() const CADET_NOEXCEPT { return PowerLawParameterParameterDependence::identifier(); }

CADET_PARAMETERPARAMETERDEPENDENCE_BOILERPLATE

protected:
active _base;
active _exponent;

virtual bool configureImpl(IParameterProvider& paramProvider, UnitOpIdx unitOpIdx, ParticleTypeIdx parTypeIdx, BoundStateIdx bndIdx, const std::string& name)
{
const std::string baseName = name + "_BASE";
const std::string expName = name + "_EXPONENT";
_base = paramProvider.getDouble(baseName);
_exponent = paramProvider.getDouble(expName);

_parameters[makeParamId(hashStringRuntime(baseName), unitOpIdx, CompIndep, parTypeIdx, bndIdx, ReactionIndep, SectionIndep)] = &_base;
_parameters[makeParamId(hashStringRuntime(expName), unitOpIdx, CompIndep, parTypeIdx, bndIdx, ReactionIndep, SectionIndep)] = &_exponent;

return true;
}

template <typename ParamType>
ParamType getValueImpl(UnitOpIdx unitOpIdx, const std::unordered_map<ParameterId, active*>& params, const ColumnPosition& colPos, int comp, int parType, int bnd) const
{
return 0.0;
}

template <typename ParamType>
ParamType getValueImpl(UnitOpIdx unitOpIdx, const std::unordered_map<ParameterId, active*>& params, const ColumnPosition& colPos, int comp, int parType, int bnd, ParamType val) const
{
using std::pow;
return static_cast<ParamType>(_base) * pow(val, static_cast<ParamType>(_exponent));
}

};


namespace paramdep
{
void registerPowerLawParamDependence(std::unordered_map<std::string, std::function<model::IParameterParameterDependence*()>>& paramDeps)
{
paramDeps[PowerLawParameterParameterDependence::identifier()] = []() { return new PowerLawParameterParameterDependence(); };
}
} // namespace paramdep

} // namespace model

} // namespace cadet
4 changes: 3 additions & 1 deletion src/libcadet/model/parts/ConvectionDispersionOperator.cpp
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Expand Up @@ -676,9 +676,11 @@ bool RadialConvectionDispersionOperatorBase::notifyDiscontinuousSectionTransitio
*/
void RadialConvectionDispersionOperatorBase::setFlowRates(const active& in, const active& out, const active& colPorosity) CADET_NOEXCEPT
{
const double pi = 3.1415926535897932384626434;

// If we have cross section area, interstitial velocity is given by network flow rates
if (_colLength > 0.0)
_curVelocity = _dir * in / (2.0 * M_PI * _colLength * colPorosity);
_curVelocity = _dir * in / (2.0 * pi * _colLength * colPorosity);
}

/**
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39 changes: 21 additions & 18 deletions test/CMakeLists.txt
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Expand Up @@ -31,22 +31,24 @@ endif()
add_executable(testLogging testLogging.cpp)
target_link_libraries(testLogging PRIVATE CADET::CompileOptions)

add_executable(testRadialKernel testRadialKernel.cpp TimeIntegrator.cpp ${CMAKE_SOURCE_DIR}/src/libcadet/Logging.cpp ${CMAKE_SOURCE_DIR}/src/libcadet/AutoDiff.cpp)
target_link_libraries(testRadialKernel PRIVATE CADET::CompileOptions CADET::AD SUNDIALS::sundials_idas ${SUNDIALS_NVEC_TARGET} )
target_include_directories(testRadialKernel PRIVATE ${CMAKE_SOURCE_DIR}/test)

if (ENABLE_GRM_2D)
target_include_directories(testRadialKernel PRIVATE ${CMAKE_BINARY_DIR}/src/libcadet)
if (SUPERLU_FOUND)
target_link_libraries(testRadialKernel PRIVATE SuperLU::SuperLU)
endif()
if (UMFPACK_FOUND)
target_link_libraries(testRadialKernel PRIVATE UMFPACK::UMFPACK)
if (NOT WIN32)
add_executable(testRadialKernel testRadialKernel.cpp TimeIntegrator.cpp ${CMAKE_SOURCE_DIR}/src/libcadet/Logging.cpp ${CMAKE_SOURCE_DIR}/src/libcadet/AutoDiff.cpp)
target_link_libraries(testRadialKernel PRIVATE CADET::CompileOptions CADET::AD SUNDIALS::sundials_idas ${SUNDIALS_NVEC_TARGET} )
target_include_directories(testRadialKernel PRIVATE ${CMAKE_SOURCE_DIR}/test ${CMAKE_BINARY_DIR}/src/libcadet)

if (ENABLE_GRM_2D)
target_include_directories(testRadialKernel PRIVATE ${CMAKE_BINARY_DIR}/src/libcadet)
if (SUPERLU_FOUND)
target_link_libraries(testRadialKernel PRIVATE SuperLU::SuperLU)
endif()
if (UMFPACK_FOUND)
target_link_libraries(testRadialKernel PRIVATE UMFPACK::UMFPACK)
endif()
endif()
endif()

list(APPEND TEST_NONLINALG_TARGETS testRadialKernel)
list(APPEND TEST_HDF5_TARGETS testRadialKernel)
list(APPEND TEST_NONLINALG_TARGETS testRadialKernel)
list(APPEND TEST_HDF5_TARGETS testRadialKernel)
endif()


# CATCH unit tests
Expand Down Expand Up @@ -74,8 +76,8 @@ add_executable(testRunner testRunner.cpp JsonTestModels.cpp ColumnTests.cpp Unit
$<TARGET_OBJECTS:libcadet_object>)

target_link_libraries(testRunner PRIVATE CADET::CompileOptions CADET::AD SUNDIALS::sundials_idas ${SUNDIALS_NVEC_TARGET} ${TBB_TARGET})
target_include_directories(testRunner PRIVATE ${CMAKE_BINARY_DIR}/src/libcadet)
if (ENABLE_GRM_2D)
target_include_directories(testRunner PRIVATE ${CMAKE_BINARY_DIR}/src/libcadet)
if (SUPERLU_FOUND)
target_link_libraries(testRunner PRIVATE SuperLU::SuperLU)
endif()
Expand Down Expand Up @@ -112,9 +114,10 @@ endforeach()

# ---------------------------------------------------


add_executable(testCAPIv1 "${CMAKE_CURRENT_BINARY_DIR}/Paths_$<CONFIG>.cpp" testCAPIv1.cpp)
target_include_directories(testCAPIv1 PRIVATE ${CMAKE_SOURCE_DIR}/include ${CMAKE_SOURCE_DIR}/ThirdParty/json)
if (WIN32)
add_executable(testCAPIv1 "${CMAKE_CURRENT_BINARY_DIR}/Paths_$<CONFIG>.cpp" testCAPIv1.cpp)
target_include_directories(testCAPIv1 PRIVATE ${CMAKE_SOURCE_DIR}/include ${CMAKE_SOURCE_DIR}/ThirdParty/json)
endif()

# ---------------------------------------------------

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2 changes: 1 addition & 1 deletion test/testRadialKernel.cpp
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Expand Up @@ -30,7 +30,7 @@
#define TEST_MANUFACTURED_TEXPT 1

// Uncomment the next line to enable logging output of CADET in unit tests
#define CADETTEST_ENABLE_LOG
//#define CADETTEST_ENABLE_LOG

#ifdef CADETTEST_ENABLE_LOG
#include "cadet/Logging.hpp"
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