Emily Boudreaux
8a0b5b2c36
Major weak rate progress which includes: A refactor of many of the public interfaces for GridFire Engines to use composition objects as opposed to raw abundance vectors. This helps prevent index mismatch errors. Further, the weak reaction class has been expanded with the majority of an implimentation, including an atomic_base derived class to allow for proper auto diff tracking of the interpolated table results. Some additional changes are that the version of fourdst and libcomposition have been bumped to versions with smarter caching of intermediate vectors and a few bug fixes.
77 lines
3.3 KiB
C++
77 lines
3.3 KiB
C++
#pragma once
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#include "gridfire/engine/engine_abstract.h"
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#include "gridfire/network.h"
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#include "fourdst/composition/atomicSpecies.h"
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namespace gridfire {
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/**
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* @brief Primes absent species in the network to their equilibrium abundances.
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*
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* Executes a network priming algorithm that iteratively rebuilds the reaction network,
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* calculates equilibrium mass fractions for species with zero initial abundance,
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* and applies mass transfers based on reaction flows.
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*
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* Refer to priming.cpp for implementation details on logging, algorithmic steps, and error handling.
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*
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* @param netIn Input network data containing initial composition, temperature, and density.
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* @param engine DynamicEngine used to build and evaluate the reaction network.
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* @pre netIn.composition defines species and their mass fractions; engine is constructed with a valid network.
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* @post engine.networkReactions restored to its initial state; returned report contains primedComposition,
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* massFractionChanges for each species, success flag, and status code.
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* @return PrimingReport encapsulating the results of the priming operation.
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*/
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PrimingReport primeNetwork(
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const NetIn& netIn,
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DynamicEngine& engine
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);
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/**
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* @brief Computes the destruction rate constant for a specific species.
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*
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* Calculates the sum of molar reaction flows for all reactions where the species
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* is a reactant (negative stoichiometry) after scaling its abundance to unity.
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*
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* @param engine Engine providing the current set of network reactions and flow calculations.
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* @param species The atomic species whose destruction rate is computed.
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* @param composition Current composition providing abundances for all species.
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* @param T9 Temperature in units of 10^9 K.
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* @param rho Density of the medium.
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* @pre Y.size() matches engine.getNetworkReactions().size() mapping species order.
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* @post Returned rate constant is non-negative.
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* @return Sum of absolute stoichiometry-weighted destruction flows for the species.
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*/
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double calculateDestructionRateConstant(
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const DynamicEngine& engine,
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const fourdst::atomic::Species& species,
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const fourdst::composition::Composition& composition,
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double T9,
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double rho
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);
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/**
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* @brief Computes the creation rate for a specific species.
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*
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* Sums molar reaction flows for all reactions where the species
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* appears as a product (positive stoichiometry).
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*
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* @param engine Engine providing the current set of network reactions and flow calculations.
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* @param species The atomic species whose creation rate is computed.
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* @param composition Composition object containing current abundances.
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* @param T9 Temperature in units of 10^9 K.
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* @param rho Density of the medium.
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* @pre Y.size() matches engine.getNetworkReactions().size() mapping species order.
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* @post Returned creation rate is non-negative.
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* @return Sum of stoichiometry-weighted creation flows for the species.
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*/
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double calculateCreationRate(
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const DynamicEngine& engine,
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const fourdst::atomic::Species& species,
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const fourdst::composition::Composition& composition,
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double T9,
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double rho
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);
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} |