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Remove singleton parshell dims in solution of LRMP, CSTR
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Restores the previous behavior when reporting the solution of the LRMP
and CSTR units: The singleton particle shell dimension is removed from
the output tensor.

Fixes #133.
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@sleweke-bayer @jbreue16
sleweke-bayer authored and jbreue16 committed Jul 24, 2023
1 parent d65ef97 commit 75ba0e7
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Showing 9 changed files with 72 additions and 14 deletions.
7 changes: 7 additions & 0 deletions include/cadet/SolutionExporter.hpp
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Original file line number Diff line number Diff line change
Expand Up @@ -58,6 +58,13 @@ class CADET_API ISolutionExporter
*/
virtual bool hasVolume() const CADET_NOEXCEPT = 0;

/**
* @brief Returns whether the particle is always lumped to a single element
* @details If particles are lumped to a single element, the singleton particle shell dimension can be removed.
* @return @c true if particles are always represented by a single element, otherwise @c false
*/
virtual bool isParticleLumped() const CADET_NOEXCEPT = 0;

/**
* @brief Returns the number of components
* @return Number of components
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72 changes: 58 additions & 14 deletions include/common/SolutionRecorderImpl.hpp
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Original file line number Diff line number Diff line change
Expand Up @@ -58,8 +58,8 @@ class InternalStorageUnitOpRecorder : public ISolutionRecorder
InternalStorageUnitOpRecorder(UnitOpIdx idx) : _cfgSolution({false, false, false, true, false, false, false}),
_cfgSolutionDot({false, false, false, false, false, false, false}), _cfgSensitivity({false, false, false, true, false, false, false}),
_cfgSensitivityDot({false, false, false, true, false, false, false}), _storeTime(false), _storeCoordinates(false), _splitComponents(true), _splitPorts(true),
_singleAsMultiPortUnitOps(false), _curCfg(nullptr), _nComp(0), _nVolumeDof(0), _nAxialCells(0), _nRadialCells(0), _nInletPorts(0), _nOutletPorts(0),
_numTimesteps(0), _numSens(0), _unitOp(idx), _needsReAlloc(false), _axialCoords(0), _radialCoords(0), _particleCoords(0)
_singleAsMultiPortUnitOps(false), _keepParticleSingletonDim(true), _curCfg(nullptr), _nComp(0), _nVolumeDof(0), _nAxialCells(0), _nRadialCells(0),
_nInletPorts(0), _nOutletPorts(0), _numTimesteps(0), _numSens(0), _unitOp(idx), _needsReAlloc(false), _axialCoords(0), _radialCoords(0), _particleCoords(0)
{
}

Expand Down Expand Up @@ -124,6 +124,8 @@ class InternalStorageUnitOpRecorder : public ISolutionRecorder
_nInletPorts = exporter.numInletPorts();
_nOutletPorts = exporter.numOutletPorts();

_keepParticleSingletonDim = !exporter.isParticleLumped();

_nAxialCells = exporter.numPrimaryCoordinates();
_nRadialCells = exporter.numSecondaryCoordinates();

Expand Down Expand Up @@ -445,6 +447,9 @@ class InternalStorageUnitOpRecorder : public ISolutionRecorder
inline bool treatSingleAsMultiPortUnitOps() const CADET_NOEXCEPT { return _singleAsMultiPortUnitOps; }
inline void treatSingleAsMultiPortUnitOps(bool smp) CADET_NOEXCEPT { _singleAsMultiPortUnitOps = smp; }

inline bool keepParticleSingletonDim() const CADET_NOEXCEPT { return _keepParticleSingletonDim; }
inline void keepParticleSingletonDim(bool keepSingleton) CADET_NOEXCEPT { _keepParticleSingletonDim = keepSingleton; }

inline UnitOpIdx unitOperation() const CADET_NOEXCEPT { return _unitOp; }
inline void unitOperation(UnitOpIdx idx) CADET_NOEXCEPT { _unitOp = idx; }

Expand Down Expand Up @@ -736,7 +741,12 @@ class InternalStorageUnitOpRecorder : public ISolutionRecorder
if (_nParShells.size() <= 1)
{
if (_nParShells[0] >= 1)
layout.push_back(_nParShells[0]);
{
if ((_nParShells[0] == 1) && _keepParticleSingletonDim)
layout.push_back(_nParShells[0]);
else if (_nParShells[0] > 1)
layout.push_back(_nParShells[0]);
}
layout.push_back(_nComp);

debugCheckTensorLayout(layout, _curStorage->particle[0].size());
Expand All @@ -754,14 +764,25 @@ class InternalStorageUnitOpRecorder : public ISolutionRecorder

for (std::size_t parType = 0; parType < _nParShells.size(); ++parType)
{
std::size_t layoutSize = layout.size();
if (hasParticleShells)
layout[layout.size() - 2] = _nParShells[parType];
{
if ((_nParShells[parType] == 1) && !_keepParticleSingletonDim)
{
layout[layoutSize - 2] = _nComp;
--layoutSize;
}
else if ((_nParShells[parType] == 1) && _keepParticleSingletonDim)
layout[layout.size() - 2] = _nParShells[parType];
else if (_nParShells[parType] > 1)
layout[layout.size() - 2] = _nParShells[parType];
}

debugCheckTensorLayout(layout, _curStorage->particle[parType].size());
debugCheckTensorLayout(layout, layoutSize, _curStorage->particle[parType].size());

oss.str("");
oss << prefix << "_PARTICLE_PARTYPE_" << std::setfill('0') << std::setw(3) << std::setprecision(0) << parType;
writer.template tensor<double>(oss.str(), layout.size(), layout.data(), _curStorage->particle[parType].data());
writer.template tensor<double>(oss.str(), layoutSize, layout.data(), _curStorage->particle[parType].data());
}
}
}
Expand All @@ -780,7 +801,12 @@ class InternalStorageUnitOpRecorder : public ISolutionRecorder
if (_nParShells.size() <= 1)
{
if (_nParShells[0] >= 1)
layout.push_back(_nParShells[0]);
{
if ((_nParShells[0] == 1) && _keepParticleSingletonDim)
layout.push_back(_nParShells[0]);
else if (_nParShells[0] > 1)
layout.push_back(_nParShells[0]);
}
layout.push_back(_nBoundStates[0]);

debugCheckTensorLayout(layout, _curStorage->solid[0].size());
Expand All @@ -798,15 +824,24 @@ class InternalStorageUnitOpRecorder : public ISolutionRecorder

for (std::size_t parType = 0; parType < _nParShells.size(); ++parType)
{
std::size_t layoutSize = layout.size();
if (hasParticleShells)
layout[layout.size() - 2] = _nParShells[parType];
layout[layout.size() - 1] = _nBoundStates[parType];
{
if ((_nParShells[parType] == 1) && !_keepParticleSingletonDim)
--layoutSize;
else if ((_nParShells[parType] == 1) && _keepParticleSingletonDim)
layout[layout.size() - 2] = _nParShells[parType];
else if (_nParShells[parType] > 1)
layout[layout.size() - 2] = _nParShells[parType];
}

layout[layoutSize - 1] = _nBoundStates[parType];

debugCheckTensorLayout(layout, _curStorage->solid[parType].size());
debugCheckTensorLayout(layout, layoutSize, _curStorage->solid[parType].size());

oss.str("");
oss << prefix << "_SOLID_PARTYPE_" << std::setfill('0') << std::setw(3) << std::setprecision(0) << parType;
writer.template tensor<double>(oss.str(), layout.size(), layout.data(), _curStorage->solid[parType].data());
writer.template tensor<double>(oss.str(), layoutSize, layout.data(), _curStorage->solid[parType].data());
}
}
}
Expand Down Expand Up @@ -856,17 +891,25 @@ class InternalStorageUnitOpRecorder : public ISolutionRecorder
}

template <typename T>
void debugCheckTensorLayout(const std::vector<T>& layout, std::size_t numElems)
void debugCheckTensorLayout(const std::vector<T>& layout, std::size_t layoutSize, std::size_t numElems)
{
#ifdef CADET_DEBUG
std::size_t layoutElems = 1;
for (T item : layout)
layoutElems *= item;
for (std::size_t i = 0; i < layoutSize; ++i)
layoutElems *= layout[i];

cadet_assert(numElems == layoutElems);
#endif
}

template <typename T>
void debugCheckTensorLayout(const std::vector<T>& layout, std::size_t numElems)
{
#ifdef CADET_DEBUG
debugCheckTensorLayout(layout, layout.size(), numElems);
#endif
}

StorageConfig _cfgSolution;
StorageConfig _cfgSolutionDot;
StorageConfig _cfgSensitivity;
Expand All @@ -876,6 +919,7 @@ class InternalStorageUnitOpRecorder : public ISolutionRecorder
bool _splitComponents;
bool _splitPorts;
bool _singleAsMultiPortUnitOps;
bool _keepParticleSingletonDim;

StorageConfig const* _curCfg;
Storage* _curStorage;
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1 change: 1 addition & 0 deletions src/libcadet/model/GeneralRateModel.hpp
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Original file line number Diff line number Diff line change
Expand Up @@ -430,6 +430,7 @@ class GeneralRateModel : public UnitOperationBase
virtual bool hasParticleMobilePhase() const CADET_NOEXCEPT { return true; }
virtual bool hasSolidPhase() const CADET_NOEXCEPT { return _disc.strideBound[_disc.nParType] > 0; }
virtual bool hasVolume() const CADET_NOEXCEPT { return false; }
virtual bool isParticleLumped() const CADET_NOEXCEPT { return false; }

virtual unsigned int numComponents() const CADET_NOEXCEPT { return _disc.nComp; }
virtual unsigned int numPrimaryCoordinates() const CADET_NOEXCEPT { return _disc.nCol; }
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1 change: 1 addition & 0 deletions src/libcadet/model/GeneralRateModel2D.hpp
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Original file line number Diff line number Diff line change
Expand Up @@ -410,6 +410,7 @@ class GeneralRateModel2D : public UnitOperationBase
virtual bool hasParticleMobilePhase() const CADET_NOEXCEPT { return true; }
virtual bool hasSolidPhase() const CADET_NOEXCEPT { return _disc.strideBound[_disc.nParType] > 0; }
virtual bool hasVolume() const CADET_NOEXCEPT { return false; }
virtual bool isParticleLumped() const CADET_NOEXCEPT { return false; }

virtual unsigned int numComponents() const CADET_NOEXCEPT { return _disc.nComp; }
virtual unsigned int numPrimaryCoordinates() const CADET_NOEXCEPT { return _disc.nCol; }
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1 change: 1 addition & 0 deletions src/libcadet/model/InletModel.hpp
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Original file line number Diff line number Diff line change
Expand Up @@ -175,6 +175,7 @@ class InletModel : public IUnitOperation
virtual bool hasParticleMobilePhase() const CADET_NOEXCEPT { return false; }
virtual bool hasSolidPhase() const CADET_NOEXCEPT { return false; }
virtual bool hasVolume() const CADET_NOEXCEPT { return false; }
virtual bool isParticleLumped() const CADET_NOEXCEPT { return false; }

virtual unsigned int numComponents() const CADET_NOEXCEPT { return _nComp; }
virtual unsigned int numPrimaryCoordinates() const CADET_NOEXCEPT { return 0; }
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1 change: 1 addition & 0 deletions src/libcadet/model/LumpedRateModelWithPores.hpp
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Original file line number Diff line number Diff line change
Expand Up @@ -360,6 +360,7 @@ class LumpedRateModelWithPores : public UnitOperationBase
virtual bool hasParticleMobilePhase() const CADET_NOEXCEPT { return true; }
virtual bool hasSolidPhase() const CADET_NOEXCEPT { return _disc.strideBound[_disc.nParType] > 0; }
virtual bool hasVolume() const CADET_NOEXCEPT { return false; }
virtual bool isParticleLumped() const CADET_NOEXCEPT { return true; }

virtual unsigned int numComponents() const CADET_NOEXCEPT { return _disc.nComp; }
virtual unsigned int numPrimaryCoordinates() const CADET_NOEXCEPT { return _disc.nCol; }
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1 change: 1 addition & 0 deletions src/libcadet/model/LumpedRateModelWithoutPores.hpp
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Original file line number Diff line number Diff line change
Expand Up @@ -276,6 +276,7 @@ class LumpedRateModelWithoutPores : public UnitOperationBase
virtual bool hasParticleMobilePhase() const CADET_NOEXCEPT { return false; }
virtual bool hasSolidPhase() const CADET_NOEXCEPT { return _disc.strideBound > 0; }
virtual bool hasVolume() const CADET_NOEXCEPT { return false; }
virtual bool isParticleLumped() const CADET_NOEXCEPT { return false; }

virtual unsigned int numComponents() const CADET_NOEXCEPT { return _disc.nComp; }
virtual unsigned int numPrimaryCoordinates() const CADET_NOEXCEPT { return _disc.nCol; }
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1 change: 1 addition & 0 deletions src/libcadet/model/OutletModel.hpp
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Original file line number Diff line number Diff line change
Expand Up @@ -157,6 +157,7 @@ class OutletModel : public IUnitOperation
virtual bool hasParticleMobilePhase() const CADET_NOEXCEPT { return false; }
virtual bool hasSolidPhase() const CADET_NOEXCEPT { return false; }
virtual bool hasVolume() const CADET_NOEXCEPT { return false; }
virtual bool isParticleLumped() const CADET_NOEXCEPT { return false; }

virtual unsigned int numComponents() const CADET_NOEXCEPT { return _nComp; }
virtual unsigned int numPrimaryCoordinates() const CADET_NOEXCEPT { return 0; }
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1 change: 1 addition & 0 deletions src/libcadet/model/StirredTankModel.hpp
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Original file line number Diff line number Diff line change
Expand Up @@ -181,6 +181,7 @@ class CSTRModel : public UnitOperationBase
virtual bool hasParticleMobilePhase() const CADET_NOEXCEPT { return false; }
virtual bool hasSolidPhase() const CADET_NOEXCEPT { return _totalBound > 0; }
virtual bool hasVolume() const CADET_NOEXCEPT { return true; }
virtual bool isParticleLumped() const CADET_NOEXCEPT { return true; }

virtual unsigned int numComponents() const CADET_NOEXCEPT { return _nComp; }
virtual unsigned int numPrimaryCoordinates() const CADET_NOEXCEPT { return 0; }
Expand Down

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