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PyDynamicEngine Class Referencefinal

`#include <py_engine.h>`

Inheritance diagram for PyDynamicEngine:
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Collaboration diagram for PyDynamicEngine:
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## Public Member Functions

const std::vector< fourdst::atomic::Species > & | getNetworkSpecies (gridfire::engine::scratch::StateBlob &ctx) const override
| PyDynamicEngine Implementation ///.
std::expected< gridfire::engine::StepDerivatives< double >, gridfire::engine::EngineStatus > | calculateRHSAndEnergy (gridfire::engine::scratch::StateBlob &ctx, const fourdst::composition::CompositionAbstract &comp, double T9, double rho, bool trust) const override
| Calculate the right-hand side (dY/dt) and energy generation.
gridfire::engine::NetworkJacobian | generateJacobianMatrix (gridfire::engine::scratch::StateBlob &ctx, const fourdst::composition::CompositionAbstract &comp, double T9, double rho) const override
| Generate the Jacobian matrix for the current state.
gridfire::engine::NetworkJacobian | generateJacobianMatrix (gridfire::engine::scratch::StateBlob &ctx, const fourdst::composition::CompositionAbstract &comp, double T9, double rho, const std::vector< fourdst::atomic::Species > &activeSpecies) const override
| Generate the Jacobian matrix for the current state using a subset of active species.
gridfire::engine::NetworkJacobian | generateJacobianMatrix (gridfire::engine::scratch::StateBlob &ctx, const fourdst::composition::CompositionAbstract &comp, double T9, double rho, const gridfire::engine::SparsityPattern &sparsityPattern) const override
| Generate the Jacobian matrix for the current state with a specified sparsity pattern.
double | calculateMolarReactionFlow (gridfire::engine::scratch::StateBlob &ctx, const gridfire::reaction::Reaction &reaction, const fourdst::composition::CompositionAbstract &comp, double T9, double rho) const override
| Calculate the molar reaction flow for a given reaction.
const gridfire::reaction::ReactionSet & | getNetworkReactions (gridfire::engine::scratch::StateBlob &ctx) const override
| Get the set of logical reactions in the network.
std::expected< std::unordered_map< fourdst::atomic::Species, double >, gridfire::engine::EngineStatus > | getSpeciesTimescales (gridfire::engine::scratch::StateBlob &ctx, const fourdst::composition::CompositionAbstract &comp, double T9, double rho) const override
| Compute timescales for all species in the network.
std::expected< std::unordered_map< fourdst::atomic::Species, double >, gridfire::engine::EngineStatus > | getSpeciesDestructionTimescales (gridfire::engine::scratch::StateBlob &ctx, const fourdst::composition::CompositionAbstract &comp, double T9, double rho) const override
| Compute destruction timescales for all species in the network.
fourdst::composition::Composition | project (gridfire::engine::scratch::StateBlob &ctx, const gridfire::NetIn &netIn) const override
| Update the thread local scratch pad state of a network.
gridfire::screening::ScreeningType | getScreeningModel (gridfire::engine::scratch::StateBlob &ctx) const override
| Get the current electron screening model.
size_t | getSpeciesIndex (gridfire::engine::scratch::StateBlob &ctx, const fourdst::atomic::Species &species) const override
| Get the index of a species in the network.
gridfire::engine::PrimingReport | primeEngine (gridfire::engine::scratch::StateBlob &ctx, const gridfire::NetIn &netIn) const override
| Prime the engine with initial conditions.
gridfire::engine::EnergyDerivatives | calculateEpsDerivatives (gridfire::engine::scratch::StateBlob &ctx, const fourdst::composition::CompositionAbstract &comp, double T9, double rho) const override
| Calculate the derivatives of the energy generation rate with respect to T and rho.
fourdst::composition::Composition | collectComposition (gridfire::engine::scratch::StateBlob &ctx, const fourdst::composition::CompositionAbstract &comp, double T9, double rho) const override
| Recursively collect composition from current engine and any sub engines if they exist.
gridfire::engine::SpeciesStatus | getSpeciesStatus (gridfire::engine::scratch::StateBlob &ctx, const fourdst::atomic::Species &species) const override
| Get the status of a species in the network.
std::optional< gridfire::engine::StepDerivatives< double > > | getMostRecentRHSCalculation (gridfire::engine::scratch::StateBlob &ctx) const override
std::unique_ptr< gridfire::engine::scratch::StateBlob > | constructStateBlob (const gridfire::engine::scratch::StateBlob *blob) const override
Public Member Functions inherited from gridfire::engine::DynamicEngine
virtual reaction::ReactionSet | getInactiveNetworkReactions (scratch::StateBlob &ctx) const
| Get the set of inactive reactions in the network.
virtual double | getInactiveReactionMolarReactionFlow (scratch::StateBlob &ctx, const reaction::Reaction &reaction, const fourdst::composition::CompositionAbstract &comp, const double T9, const double rho) const
Public Member Functions inherited from gridfire::engine::Engine
virtual | ~Engine ()=default
| Virtual destructor.

## Private Attributes

std::vector< fourdst::atomic::Species > | m_species_cache

## Member Function Documentation

## calculateEpsDerivatives()

gridfire::engine::EnergyDerivatives PyDynamicEngine::calculateEpsDerivatives | ( | gridfire::engine::scratch::StateBlob & | ctx,
|  | const fourdst::composition::CompositionAbstract & | comp,
|  | double | T9,
|  | double | rho ) const

nodiscardoverridevirtual

Calculate the derivatives of the energy generation rate with respect to T and rho.

Parameters

  comp | Composition object containing current abundances.
  T9 | Temperature in units of 10^9 K.
  rho | Density in g/cm^3.

Returns
  EnergyDerivatives containing dEps/dT and dEps/dRho.

This method computes the partial derivatives of the specific nuclear energy generation rate with respect to temperature and density for the current state.

Implements gridfire::engine::DynamicEngine.

## calculateMolarReactionFlow()

double PyDynamicEngine::calculateMolarReactionFlow | ( | gridfire::engine::scratch::StateBlob & | ctx,
|  | const gridfire::reaction::Reaction & | reaction,
|  | const fourdst::composition::CompositionAbstract & | comp,
|  | double | T9,
|  | double | rho ) const

overridevirtual

Calculate the molar reaction flow for a given reaction.

Parameters

  ctx | The scratchpad context for the current state.
  reaction | The reaction for which to calculate the flow.
  comp | Composition object containing current abundances.
  T9 | Temperature in units of 10^9 K.
  rho | Density in g/cm^3.

Returns
  Molar flow rate for the reaction (e.g., mol/g/s).

This method computes the net rate at which the given reaction proceeds under the current state.

Implements gridfire::engine::DynamicEngine.

## calculateRHSAndEnergy()

std::expected< gridfire::engine::StepDerivatives< double >, gridfire::engine::EngineStatus > PyDynamicEngine::calculateRHSAndEnergy | ( | gridfire::engine::scratch::StateBlob & | ,
|  | const fourdst::composition::CompositionAbstract & | comp,
|  | double | T9,
|  | double | rho,
|  | bool | trust ) const

overridevirtual

Calculate the right-hand side (dY/dt) and energy generation.

Parameters

  comp | Composition object containing current abundances.
  T9 | Temperature in units of 10^9 K.
  rho | Density in g/cm^3.
  trust | If true, indicates that the engine should trust the passed composition has already been collected.

Returns
  expected<StepDerivatives<double>> containing either dY/dt and energy generation rate or a stale engine error indicating that the engine must be updated

This function must be implemented by derived classes to compute the time derivatives of all species and the specific nuclear energy generation rate for the current state.

Implements gridfire::engine::Engine.

## collectComposition()

fourdst::composition::Composition PyDynamicEngine::collectComposition | ( | gridfire::engine::scratch::StateBlob & | ctx,
|  | const fourdst::composition::CompositionAbstract & | comp,
|  | double | T9,
|  | double | rho ) const

overridevirtual

Recursively collect composition from current engine and any sub engines if they exist.

If species i is defined in comp and in any sub engine or self composition then the molar abundance of species i in the returned composition will be that defined in comp. If there are species defined in sub engine compositions which are not defined in comp then their molar abundances will be based on the reported values from each sub engine.

Note
  It is up to each engine to decide how to handle filling in the return composition.
  These methods return an unfinalized composition which must then be finalized by the caller

Parameters

  ctx | The scratchpad context for the current state.
  comp | Input composition to "normalize".
  T9 |
  rho |

Returns
  An updated composition which is a superset of comp. This may contain species which were culled, for example, by either QSE partitioning or reaction flow rate culling

Implements gridfire::engine::DynamicEngine.

## constructStateBlob()

std::unique_ptr< gridfire::engine::scratch::StateBlob > PyDynamicEngine::constructStateBlob | ( | const gridfire::engine::scratch::StateBlob * | blob | ) | const

overridevirtual

Implements gridfire::engine::DynamicEngine.

## generateJacobianMatrix() [1/3]

gridfire::engine::NetworkJacobian PyDynamicEngine::generateJacobianMatrix | ( | gridfire::engine::scratch::StateBlob & | ctx,
|  | const fourdst::composition::CompositionAbstract & | comp,
|  | double | T9,
|  | double | rho ) const

overridevirtual

Generate the Jacobian matrix for the current state.

Parameters

  ctx | The scratchpad context for the current state.
  comp | Composition object containing current abundances.
  T9 | Temperature in units of 10^9 K.
  rho | Density in g/cm^3.

This method must compute and store the Jacobian matrix (∂(dY/dt)_i/∂Y_j) for the current state. The matrix can then be accessed via getJacobianMatrixEntry().

Implements gridfire::engine::DynamicEngine.

## generateJacobianMatrix() [2/3]

gridfire::engine::NetworkJacobian PyDynamicEngine::generateJacobianMatrix | ( | gridfire::engine::scratch::StateBlob & | ctx,
|  | const fourdst::composition::CompositionAbstract & | comp,
|  | double | T9,
|  | double | rho,
|  | const gridfire::engine::SparsityPattern & | sparsityPattern ) const

overridevirtual

Generate the Jacobian matrix for the current state with a specified sparsity pattern.

Parameters

  ctx | Get the scratchpad context for the current state.
  comp | Composition object containing current abundances.
  T9 | Temperature in units of 10^9 K.
  rho | Density in g/cm^3.
  sparsityPattern | The sparsity pattern to use for the Jacobian matrix.

This method must compute and store the Jacobian matrix (∂(dY/dt)_i/∂Y_j) for the current state using automatic differentiation, taking into account the provided sparsity pattern. The matrix can then be accessed via `getJacobianMatrixEntry()`.

See also
  getJacobianMatrixEntry()

Implements gridfire::engine::DynamicEngine.

## generateJacobianMatrix() [3/3]

gridfire::engine::NetworkJacobian PyDynamicEngine::generateJacobianMatrix | ( | gridfire::engine::scratch::StateBlob & | ctx,
|  | const fourdst::composition::CompositionAbstract & | comp,
|  | double | T9,
|  | double | rho,
|  | const std::vector< fourdst::atomic::Species > & | activeSpecies ) const

overridevirtual

Generate the Jacobian matrix for the current state using a subset of active species.

Parameters

  ctx | The scratchpad context for the current state.
  comp | Composition object containing current abundances.
  T9 | Temperature in units of 10^9 K.
  rho | Density in g/cm^3.
  activeSpecies | The set of species to include in the Jacobian calculation.

This method must compute and store the Jacobian matrix (∂(dY/dt)_i/∂Y_j) for the current state, considering only the specified subset of active species. The matrix can then be accessed via getJacobianMatrixEntry().

Implements gridfire::engine::DynamicEngine.

## getMostRecentRHSCalculation()

std::optional< gridfire::engine::StepDerivatives< double > > PyDynamicEngine::getMostRecentRHSCalculation | ( | gridfire::engine::scratch::StateBlob & | ctx | ) | const

overridevirtual

Implements gridfire::engine::DynamicEngine.

## getNetworkReactions()

const gridfire::reaction::ReactionSet & PyDynamicEngine::getNetworkReactions | ( | gridfire::engine::scratch::StateBlob & | ctx | ) | const

overridevirtual

Get the set of logical reactions in the network.

Returns
  Reference to the LogicalReactionSet containing all reactions.

Implements gridfire::engine::DynamicEngine.

## getNetworkSpecies()

const std::vector< fourdst::atomic::Species > & PyDynamicEngine::getNetworkSpecies | ( | gridfire::engine::scratch::StateBlob & | ctx | ) | const

overridevirtual

PyDynamicEngine Implementation ///.

Implements gridfire::engine::Engine.

## getScreeningModel()

gridfire::screening::ScreeningType PyDynamicEngine::getScreeningModel | ( | gridfire::engine::scratch::StateBlob & | ctx | ) | const

overridevirtual

Get the current electron screening model.

Parameters

  ctx | The scratchpad context for the current state.

Returns
  The currently active screening model type.

Usage Example:
  screening::ScreeningType currentModel = myEngine.getScreeningModel();

Implements gridfire::engine::DynamicEngine.

## getSpeciesDestructionTimescales()

std::expected< std::unordered_map< fourdst::atomic::Species, double >, gridfire::engine::EngineStatus > PyDynamicEngine::getSpeciesDestructionTimescales | ( | gridfire::engine::scratch::StateBlob & | ctx,
|  | const fourdst::composition::CompositionAbstract & | comp,
|  | double | T9,
|  | double | rho ) const

overridevirtual

Compute destruction timescales for all species in the network.

Parameters

  ctx | The scratchpad context for the current state.
  comp | Composition object containing current abundances.
  T9 | Temperature in units of 10^9 K.
  rho | Density in g/cm^3.

Returns
  Map from Species to their destruction timescales (s).

This method estimates the destruction timescale for each species, which can be useful for understanding reaction flows and equilibrium states.

Implements gridfire::engine::DynamicEngine.

## getSpeciesIndex()

size_t PyDynamicEngine::getSpeciesIndex | ( | gridfire::engine::scratch::StateBlob & | ctx,
|  | const fourdst::atomic::Species & | species ) const

overridevirtual

Get the index of a species in the network.

Parameters

  ctx | The scratchpad context for the current state.
  species | The species to look up.

This method allows querying the index of a specific species in the engine's internal representation. It is useful for accessing species data efficiently.

Implements gridfire::engine::DynamicEngine.

## getSpeciesStatus()

gridfire::engine::SpeciesStatus PyDynamicEngine::getSpeciesStatus | ( | gridfire::engine::scratch::StateBlob & | ctx,
|  | const fourdst::atomic::Species & | species ) const

overridevirtual

Get the status of a species in the network.

Parameters

  species | The species to check.

Returns
  SpeciesStatus indicating whether the species is active, inactive, or culled.

This method allows querying the current status of a specific species within the engine's network.

Implements gridfire::engine::DynamicEngine.

## getSpeciesTimescales()

std::expected< std::unordered_map< fourdst::atomic::Species, double >, gridfire::engine::EngineStatus > PyDynamicEngine::getSpeciesTimescales | ( | gridfire::engine::scratch::StateBlob & | ctx,
|  | const fourdst::composition::CompositionAbstract & | comp,
|  | double | T9,
|  | double | rho ) const

overridevirtual

Compute timescales for all species in the network.

Parameters

  comp | Composition object containing current abundances.
  T9 | Temperature in units of 10^9 K.
  rho | Density in g/cm^3.

Returns
  Map from Species to their characteristic timescales (s).

This method estimates the timescale for abundance change of each species, which can be used for timestep control, diagnostics, and reaction network culling.

Implements gridfire::engine::DynamicEngine.

## primeEngine()

gridfire::engine::PrimingReport PyDynamicEngine::primeEngine | ( | gridfire::engine::scratch::StateBlob & | ctx,
|  | const gridfire::NetIn & | netIn ) const

overridevirtual

Prime the engine with initial conditions.

Parameters

  ctx | The scratchpad context for the current state.
  netIn | The input conditions for the network.

Returns
  PrimingReport containing information about the priming process.

This method is used to prepare the engine for calculations by setting up initial conditions, reactions, and species. It may involve compiling reaction rates, initializing internal data structures, and performing any necessary pre-computation.

Implements gridfire::engine::DynamicEngine.

## project()

fourdst::composition::Composition PyDynamicEngine::project | ( | gridfire::engine::scratch::StateBlob & | ctx,
|  | const gridfire::NetIn & | netIn ) const

overridevirtual

Update the thread local scratch pad state of a network.

Parameters

  ctx | The scratchpad context for the current state.
  netIn | A struct containing the current network input, such as temperature, density, and composition.

This method is intended to be implemented by derived classes to update their internal state based on the provided network conditions. For example, an adaptive engine might use this to re-evaluate which reactions and species are active. For other engines that do not support manually updating, this method might do nothing.

Usage Example:
  NetIn input = { ... };
  myEngine.update(input);

Postcondition
  The internal state of the engine is updated to reflect the new conditions.

Implements gridfire::engine::DynamicEngine.

## Member Data Documentation

## m_species_cache

std::vector<fourdst::atomic::Species> PyDynamicEngine::m_species_cache

mutableprivate

The documentation for this class was generated from the following files:

- src/python/engine/trampoline/py_engine.h
- src/python/engine/trampoline/py_engine.cpp