gridfire::engine::scratch::MultiscalePartitioningEngineViewScratchPad Struct Reference

Scratchpad for multiscale partitioning engine computations with QSE groups. More...

#include <engine_multiscale_scratchpad.h>

Inheritance diagram for gridfire::engine::scratch::MultiscalePartitioningEngineViewScratchPad:

Collaboration diagram for gridfire::engine::scratch::MultiscalePartitioningEngineViewScratchPad:

Public Types
using	QSEGroup = MultiscalePartitioningEngineView::QSEGroup
	Type alias for QSE group from the multiscale engine view.
using	QSESolver = MultiscalePartitioningEngineView::QSESolver
	Type alias for QSE solver from the multiscale engine view.
using	Species = fourdst::atomic::Species
	Type alias for atomic species.

Public Member Functions
bool	is_initialized () const override
	Check whether the scratchpad has been initialized.
void	initialize ()
	Initialize the scratchpad by creating a SUNDIALS context.
	~MultiscalePartitioningEngineViewScratchPad () override
	Destructor that properly releases SUNDIALS resources.
std::unique_ptr< AbstractScratchPad >	clone () const override
	Create a partial copy of this scratchpad.
Public Member Functions inherited from gridfire::engine::scratch::AbstractScratchPad
virtual	~AbstractScratchPad ()=default
	Virtual destructor for proper cleanup of derived classes.

Public Attributes
bool	has_initialized = false
	Flag indicating whether the scratchpad has been initialized.
double	flux_coupling_threshold = 5.0
	@breif User configurable parameter to control flux coupling threshold used
std::vector< QSEGroup >	qse_groups
	Vector of QSE groups representing equilibrium clusters.
std::vector< std::unique_ptr< QSESolver > >	qse_solvers
	Vector of QSE solvers, one per QSE group.
std::vector< Species >	dynamic_species
	Species that evolve on the dynamic (slow) timescale.
std::vector< Species >	algebraic_species
	Species that are solved algebraically (fast timescale/QSE).
std::unordered_map< uint64_t, fourdst::composition::Composition >	composition_cache
	Cache of computed compositions indexed by a hash key.
SUNContext	sun_ctx = nullptr
	SUNDIALS context for solver operations.

Static Public Attributes
static constexpr auto	ID = ScratchPadType::MULTISCALE_PARTITIONING_ENGINE_VIEW_SCRATCHPAD
	Unique identifier for this scratchpad type.

Detailed Description

Scratchpad for multiscale partitioning engine computations with QSE groups.

MultiscalePartitioningEngineViewScratchPad provides thread-local storage for the multiscale partitioning algorithm, which separates species into fast (algebraic/QSE) and slow (dynamic) timescale groups. This enables efficient integration of stiff reaction networks by solving QSE subsystems separately.

Thread Safety

This class is not thread-safe. SUNDIALS contexts and QSE solver objects maintain internal state that cannot be shared across threads. Each thread must have its own scratchpad instance with its own SUNContext. When using clone(), the new instance starts uninitialized and must call initialize() to create a new SUNContext.

Note

The destructor properly cleans up SUNDIALS resources by freeing the SUNContext after clearing all solvers that depend on it.

Warning

QSE solvers are not cloned - they must be re-created in the cloned scratchpad as needed.

Member Typedef Documentation

QSEGroup

using gridfire::engine::scratch::MultiscalePartitioningEngineViewScratchPad::QSEGroup = MultiscalePartitioningEngineView::QSEGroup

Type alias for QSE group from the multiscale engine view.

QSESolver

using gridfire::engine::scratch::MultiscalePartitioningEngineViewScratchPad::QSESolver = MultiscalePartitioningEngineView::QSESolver

Type alias for QSE solver from the multiscale engine view.

Species

using gridfire::engine::scratch::MultiscalePartitioningEngineViewScratchPad::Species = fourdst::atomic::Species

Type alias for atomic species.

Constructor & Destructor Documentation

~MultiscalePartitioningEngineViewScratchPad()

gridfire::engine::scratch::MultiscalePartitioningEngineViewScratchPad::~MultiscalePartitioningEngineViewScratchPad ( )

inlineoverride

Destructor that properly releases SUNDIALS resources.

Clears all QSE solvers before freeing the SUNContext to ensure proper cleanup order and avoid dangling references.

Member Function Documentation

clone()

std::unique_ptr< AbstractScratchPad > gridfire::engine::scratch::MultiscalePartitioningEngineViewScratchPad::clone ( ) const

inlinenodiscardoverridevirtual

Create a partial copy of this scratchpad.

Creates a copy with the QSE groups, species classifications, and composition cache.

Returns

A unique pointer to the cloned scratchpad.

Note

The new instance will automatically initialize a new SUNContext and clone the QSE solvers.

Examples

MultiscalePartitioningEngineViewScratchPad scratch;
scratch.initialize();
scratch.dynamic_species = {hydrogen, helium};
 
// Clone for a worker thread
auto worker = scratch.clone();

Implements gridfire::engine::scratch::AbstractScratchPad.

initialize()

void gridfire::engine::scratch::MultiscalePartitioningEngineViewScratchPad::initialize ( )

inline

Initialize the scratchpad by creating a SUNDIALS context.

Creates a new SUNContext for use with SUNDIALS solvers. This method is idempotent; calling it multiple times has no effect after the first successful initialization.

Exceptions

std::runtime_error

if SUNContext creation fails.

Examples

MultiscalePartitioningEngineViewScratchPad scratch;
scratch.initialize();
 
// Now safe to use SUNContext for solver creation
SUNContext ctx = scratch.sun_ctx;

is_initialized()

bool gridfire::engine::scratch::MultiscalePartitioningEngineViewScratchPad::is_initialized ( ) const

inlinenodiscardoverridevirtual

Check whether the scratchpad has been initialized.

Returns

true if initialized with a valid SUNContext, false otherwise.

Implements gridfire::engine::scratch::AbstractScratchPad.

Member Data Documentation

algebraic_species

std::vector<Species> gridfire::engine::scratch::MultiscalePartitioningEngineViewScratchPad::algebraic_species

Species that are solved algebraically (fast timescale/QSE).

composition_cache

std::unordered_map<uint64_t, fourdst::composition::Composition> gridfire::engine::scratch::MultiscalePartitioningEngineViewScratchPad::composition_cache

Cache of computed compositions indexed by a hash key.

dynamic_species

std::vector<Species> gridfire::engine::scratch::MultiscalePartitioningEngineViewScratchPad::dynamic_species

Species that evolve on the dynamic (slow) timescale.

flux_coupling_threshold

double gridfire::engine::scratch::MultiscalePartitioningEngineViewScratchPad::flux_coupling_threshold = 5.0

@breif User configurable parameter to control flux coupling threshold used

has_initialized

bool gridfire::engine::scratch::MultiscalePartitioningEngineViewScratchPad::has_initialized = false

Flag indicating whether the scratchpad has been initialized.

ID

auto gridfire::engine::scratch::MultiscalePartitioningEngineViewScratchPad::ID = ScratchPadType::MULTISCALE_PARTITIONING_ENGINE_VIEW_SCRATCHPAD

staticconstexpr

Unique identifier for this scratchpad type.

qse_groups

std::vector<QSEGroup> gridfire::engine::scratch::MultiscalePartitioningEngineViewScratchPad::qse_groups

Vector of QSE groups representing equilibrium clusters.

qse_solvers

std::vector<std::unique_ptr<QSESolver> > gridfire::engine::scratch::MultiscalePartitioningEngineViewScratchPad::qse_solvers

Vector of QSE solvers, one per QSE group.

Note

These are not cloned; new instances must create their own solvers.

sun_ctx

SUNContext gridfire::engine::scratch::MultiscalePartitioningEngineViewScratchPad::sun_ctx = nullptr

SUNDIALS context for solver operations.

Note

Must be freed in destructor after clearing solvers.

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The documentation for this struct was generated from the following file:

• src/include/gridfire/engine/scratchpads/engine_multiscale_scratchpad.h