tboudreaux/GridFire
1
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

feat(python): Repaired python bindings

Browse Source 
Python bindings have now been brought back up to feature pairity with
C++. Further, stubs have been added for all python features so that code
completion will work
This commit is contained in:
Emily Boudreaux
2025-11-25 14:08:58 -05:00
parent 22b52abc30
commit bb1d6bbb24
51 changed files with 3798 additions and 460 deletions
Download Patch File Download Diff File Expand all files Collapse all files

160
src/python/engine/trampoline/py_engine.cpp
View File

@@ -33,10 +33,14 @@ const std::vector<fourdst::atomic::Species>& PyEngine::getNetworkSpecies() const
py::pybind11_fail("Tried to call pure virtual function \"DynamicEngine::getNetworkSpecies\"");
}
std::expected<gridfire::StepDerivatives<double>, gridfire::expectations::StaleEngineError> PyEngine::calculateRHSAndEnergy(const fourdst::composition::Composition &comp, double T9, double rho) const {
std::expected<gridfire::engine::StepDerivatives<double>, gridfire::engine::EngineStatus> PyEngine::calculateRHSAndEnergy(
const fourdst::composition::CompositionAbstract &comp,
double T9,
double rho
) const {
PYBIND11_OVERRIDE_PURE(
PYBIND11_TYPE(std::expected<gridfire::StepDerivatives<double>, gridfire::expectations::StaleEngineError>),
gridfire::Engine,
PYBIND11_TYPE(std::expected<gridfire::engine::StepDerivatives<double>, gridfire::engine::EngineStatus>),
gridfire::engine::Engine,
calculateRHSAndEnergy,
comp, T9, rho
);
@@ -65,19 +69,29 @@ const std::vector<fourdst::atomic::Species>& PyDynamicEngine::getNetworkSpecies(
py::pybind11_fail("Tried to call pure virtual function \"DynamicEngine::getNetworkSpecies\"");
}
std::expected<gridfire::StepDerivatives<double>, gridfire::expectations::StaleEngineError> PyDynamicEngine::calculateRHSAndEnergy(const fourdst::composition::Composition &comp, double T9, double rho) const {
std::expected<gridfire::engine::StepDerivatives<double>, gridfire::engine::EngineStatus> PyDynamicEngine::calculateRHSAndEnergy(
const fourdst::composition::CompositionAbstract &comp,
double T9,
double rho
) const {
PYBIND11_OVERRIDE_PURE(
PYBIND11_TYPE(std::expected<gridfire::StepDerivatives<double>, gridfire::expectations::StaleEngineError>),
gridfire::Engine,
PYBIND11_TYPE(std::expected<gridfire::engine::StepDerivatives<double>, gridfire::engine::EngineStatus>),
gridfire::engine::DynamicEngine,
calculateRHSAndEnergy,
comp, T9, rho
);
}
void PyDynamicEngine::generateJacobianMatrix(const fourdst::composition::Composition& comp, double T9, double rho) const {
gridfire::engine::NetworkJacobian PyDynamicEngine::generateJacobianMatrix(
const fourdst::composition::CompositionAbstract& comp,
double T9,
double rho
) const {
PYBIND11_OVERRIDE_PURE(
void,
gridfire::DynamicEngine,
gridfire::engine::NetworkJacobian,
gridfire::engine::DynamicEngine,
generateJacobianMatrix,
comp,
T9,
@@ -85,15 +99,15 @@ void PyDynamicEngine::generateJacobianMatrix(const fourdst::composition::Composi
);
}
void PyDynamicEngine::generateJacobianMatrix(
const fourdst::composition::Composition &comp,
gridfire::engine::NetworkJacobian PyDynamicEngine::generateJacobianMatrix(
const fourdst::composition::CompositionAbstract &comp,
const double T9,
const double rho,
const std::vector<fourdst::atomic::Species> &activeSpecies
) const {
PYBIND11_OVERRIDE_PURE(
void,
gridfire::DynamicEngine,
gridfire::engine::NetworkJacobian,
gridfire::engine::DynamicEngine,
generateJacobianMatrix,
comp,
T9,
@@ -102,10 +116,15 @@ void PyDynamicEngine::generateJacobianMatrix(
);
}
void PyDynamicEngine::generateJacobianMatrix(const fourdst::composition::Composition &comp, double T9, double rho, const gridfire::SparsityPattern &sparsityPattern) const {
gridfire::engine::NetworkJacobian PyDynamicEngine::generateJacobianMatrix(
const fourdst::composition::CompositionAbstract &comp,
double T9,
double rho,
const gridfire::engine::SparsityPattern &sparsityPattern
) const {
PYBIND11_OVERRIDE_PURE(
void,
gridfire::DynamicEngine,
gridfire::engine::NetworkJacobian,
gridfire::engine::DynamicEngine,
generateJacobianMatrix,
comp,
T9,
@@ -114,38 +133,36 @@ void PyDynamicEngine::generateJacobianMatrix(const fourdst::composition::Composi
);
}
double PyDynamicEngine::getJacobianMatrixEntry(const fourdst::atomic::Species& rowSpecies, const fourdst::atomic::Species& colSpecies) const {
PYBIND11_OVERRIDE_PURE(
double,
gridfire::DynamicEngine,
getJacobianMatrixEntry,
rowSpecies,
colSpecies
);
}
void PyDynamicEngine::generateStoichiometryMatrix() {
PYBIND11_OVERRIDE_PURE(
void,
gridfire::DynamicEngine,
gridfire::engine::DynamicEngine,
generateStoichiometryMatrix
);
}
int PyDynamicEngine::getStoichiometryMatrixEntry(const fourdst::atomic::Species& species, const gridfire::reaction::Reaction& reaction) const {
int PyDynamicEngine::getStoichiometryMatrixEntry(
const fourdst::atomic::Species& species,
const gridfire::reaction::Reaction& reaction
) const {
PYBIND11_OVERRIDE_PURE(
int,
gridfire::DynamicEngine,
gridfire::engine::DynamicEngine,
getStoichiometryMatrixEntry,
species,
reaction
);
}
double PyDynamicEngine::calculateMolarReactionFlow(const gridfire::reaction::Reaction &reaction, const fourdst::composition::Composition &comp, double T9, double rho) const {
double PyDynamicEngine::calculateMolarReactionFlow(
const gridfire::reaction::Reaction &reaction,
const fourdst::composition::CompositionAbstract &comp,
double T9,
double rho
) const {
PYBIND11_OVERRIDE_PURE(
double,
gridfire::DynamicEngine,
gridfire::engine::DynamicEngine,
calculateMolarReactionFlow,
reaction,
comp,
@@ -157,7 +174,7 @@ double PyDynamicEngine::calculateMolarReactionFlow(const gridfire::reaction::Rea
const gridfire::reaction::ReactionSet& PyDynamicEngine::getNetworkReactions() const {
PYBIND11_OVERRIDE_PURE(
const gridfire::reaction::ReactionSet&,
gridfire::DynamicEngine,
gridfire::engine::DynamicEngine,
getNetworkReactions
);
}
@@ -165,16 +182,20 @@ const gridfire::reaction::ReactionSet& PyDynamicEngine::getNetworkReactions() co
void PyDynamicEngine::setNetworkReactions(const gridfire::reaction::ReactionSet& reactions) {
PYBIND11_OVERRIDE_PURE(
void,
gridfire::DynamicEngine,
gridfire::engine::DynamicEngine,
setNetworkReactions,
reactions
);
}
std::expected<std::unordered_map<fourdst::atomic::Species, double>, gridfire::expectations::StaleEngineError> PyDynamicEngine::getSpeciesTimescales(const fourdst::composition::Composition &comp, double T9, double rho) const {
std::expected<std::unordered_map<fourdst::atomic::Species, double>, gridfire::engine::EngineStatus> PyDynamicEngine::getSpeciesTimescales(
const fourdst::composition::CompositionAbstract &comp,
double T9,
double rho
) const {
PYBIND11_OVERRIDE_PURE(
PYBIND11_TYPE(std::expected<std::unordered_map<fourdst::atomic::Species, double>, gridfire::expectations::StaleEngineError>),
gridfire::DynamicEngine,
PYBIND11_TYPE(std::expected<std::unordered_map<fourdst::atomic::Species, double>, gridfire::engine::EngineStatus>),
gridfire::engine::DynamicEngine,
getSpeciesTimescales,
comp,
T9,
@@ -182,10 +203,14 @@ std::expected<std::unordered_map<fourdst::atomic::Species, double>, gridfire::ex
);
}
std::expected<std::unordered_map<fourdst::atomic::Species, double>, gridfire::expectations::StaleEngineError> PyDynamicEngine::getSpeciesDestructionTimescales(const fourdst::composition::Composition &comp, double T9, double rho) const {
std::expected<std::unordered_map<fourdst::atomic::Species, double>, gridfire::engine::EngineStatus> PyDynamicEngine::getSpeciesDestructionTimescales(
const fourdst::composition::CompositionAbstract &comp,
double T9,
double rho
) const {
PYBIND11_OVERRIDE_PURE(
PYBIND11_TYPE(std::expected<std::unordered_map<fourdst::atomic::Species, double>, gridfire::expectations::StaleEngineError>),
gridfire::DynamicEngine,
PYBIND11_TYPE(std::expected<std::unordered_map<fourdst::atomic::Species, double>, gridfire::engine::EngineStatus>),
gridfire::engine::DynamicEngine,
getSpeciesDestructionTimescales,
comp, T9, rho
);
@@ -194,7 +219,7 @@ std::expected<std::unordered_map<fourdst::atomic::Species, double>, gridfire::ex
fourdst::composition::Composition PyDynamicEngine::update(const gridfire::NetIn &netIn) {
PYBIND11_OVERRIDE_PURE(
fourdst::composition::Composition,
gridfire::DynamicEngine,
gridfire::engine::DynamicEngine,
update,
netIn
);
@@ -203,7 +228,7 @@ fourdst::composition::Composition PyDynamicEngine::update(const gridfire::NetIn
bool PyDynamicEngine::isStale(const gridfire::NetIn &netIn) {
PYBIND11_OVERRIDE_PURE(
bool,
gridfire::DynamicEngine,
gridfire::engine::DynamicEngine,
isStale,
netIn
);
@@ -212,7 +237,7 @@ bool PyDynamicEngine::isStale(const gridfire::NetIn &netIn) {
void PyDynamicEngine::setScreeningModel(gridfire::screening::ScreeningType model) {
PYBIND11_OVERRIDE_PURE(
void,
gridfire::DynamicEngine,
gridfire::engine::DynamicEngine,
setScreeningModel,
model
);
@@ -221,7 +246,7 @@ void PyDynamicEngine::setScreeningModel(gridfire::screening::ScreeningType model
gridfire::screening::ScreeningType PyDynamicEngine::getScreeningModel() const {
PYBIND11_OVERRIDE_PURE(
gridfire::screening::ScreeningType,
gridfire::DynamicEngine,
gridfire::engine::DynamicEngine,
getScreeningModel
);
}
@@ -229,7 +254,7 @@ gridfire::screening::ScreeningType PyDynamicEngine::getScreeningModel() const {
size_t PyDynamicEngine::getSpeciesIndex(const fourdst::atomic::Species &species) const {
PYBIND11_OVERRIDE_PURE(
int,
gridfire::DynamicEngine,
gridfire::engine::DynamicEngine,
getSpeciesIndex,
species
);
@@ -238,28 +263,28 @@ size_t PyDynamicEngine::getSpeciesIndex(const fourdst::atomic::Species &species)
std::vector<double> PyDynamicEngine::mapNetInToMolarAbundanceVector(const gridfire::NetIn &netIn) const {
PYBIND11_OVERRIDE_PURE(
std::vector<double>,
gridfire::DynamicEngine,
gridfire::engine::DynamicEngine,
mapNetInToMolarAbundanceVector,
netIn
);
}
gridfire::PrimingReport PyDynamicEngine::primeEngine(const gridfire::NetIn &netIn) {
gridfire::engine::PrimingReport PyDynamicEngine::primeEngine(const gridfire::NetIn &netIn) {
PYBIND11_OVERRIDE_PURE(
gridfire::PrimingReport,
gridfire::DynamicEngine,
gridfire::engine::PrimingReport,
gridfire::engine::DynamicEngine,
primeEngine,
netIn
);
}
gridfire::EnergyDerivatives PyDynamicEngine::calculateEpsDerivatives(
const fourdst::composition::Composition &comp,
gridfire::engine::EnergyDerivatives PyDynamicEngine::calculateEpsDerivatives(
const fourdst::composition::CompositionAbstract &comp,
const double T9,
const double rho) const {
PYBIND11_OVERRIDE_PURE(
gridfire::EnergyDerivatives,
gridfire::DynamicEngine,
gridfire::engine::EnergyDerivatives,
gridfire::engine::DynamicEngine,
calculateEpsDerivatives,
comp,
T9,
@@ -268,28 +293,41 @@ gridfire::EnergyDerivatives PyDynamicEngine::calculateEpsDerivatives(
}
fourdst::composition::Composition PyDynamicEngine::collectComposition(
fourdst::composition::Composition &comp
const fourdst::composition::CompositionAbstract &comp,
const double T9,
const double rho
) const {
PYBIND11_OVERRIDE_PURE(
fourdst::composition::Composition,
gridfire::DynamicEngine,
gridfire::engine::DynamicEngine,
collectComposition,
comp
comp,
T9,
rho
);
}
const gridfire::Engine& PyEngineView::getBaseEngine() const {
gridfire::engine::SpeciesStatus PyDynamicEngine::getSpeciesStatus(const fourdst::atomic::Species &species) const {
PYBIND11_OVERRIDE_PURE(
const gridfire::Engine&,
gridfire::EngineView<gridfire::Engine>,
gridfire::engine::SpeciesStatus,
gridfire::engine::DynamicEngine,
getSpeciesStatus,
species
);
}
const gridfire::engine::Engine& PyEngineView::getBaseEngine() const {
PYBIND11_OVERRIDE_PURE(
const gridfire::engine::Engine&,
gridfire::engine::EngineView<gridfire::engine::Engine>,
getBaseEngine
);
}
const gridfire::DynamicEngine& PyDynamicEngineView::getBaseEngine() const {
const gridfire::engine::DynamicEngine& PyDynamicEngineView::getBaseEngine() const {
PYBIND11_OVERRIDE_PURE(
const gridfire::DynamicEngine&,
gridfire::EngineView<gridfire::DynamicEngine>,
const gridfire::engine::DynamicEngine&,
gridfire::engine::EngineView<gridfire::engine::DynamicEngine>,
getBaseEngine
);
}

58
src/python/engine/trampoline/py_engine.h
View File

@@ -1,7 +1,6 @@
#pragma once
#include "gridfire/engine/engine.h"
#include "gridfire/expectations/expected_engine.h"
#include "fourdst/atomic/atomicSpecies.h"
@@ -9,11 +8,11 @@
#include <expected>
class PyEngine final : public gridfire::Engine {
class PyEngine final : public gridfire::engine::Engine {
public:
const std::vector<fourdst::atomic::Species>& getNetworkSpecies() const override;
std::expected<gridfire::StepDerivatives<double>,gridfire::expectations::StaleEngineError> calculateRHSAndEnergy(
std::expected<gridfire::engine::StepDerivatives<double>, gridfire::engine::EngineStatus> calculateRHSAndEnergy(
const fourdst::composition::CompositionAbstract &comp,
double T9,
double rho
@@ -22,39 +21,34 @@ private:
mutable std::vector<fourdst::atomic::Species> m_species_cache;
};
class PyDynamicEngine final : public gridfire::DynamicEngine {
class PyDynamicEngine final : public gridfire::engine::DynamicEngine {
public:
const std::vector<fourdst::atomic::Species>& getNetworkSpecies() const override;
std::expected<gridfire::StepDerivatives<double>, gridfire::expectations::StaleEngineError> calculateRHSAndEnergy(
std::expected<gridfire::engine::StepDerivatives<double>, gridfire::engine::EngineStatus> calculateRHSAndEnergy(
const fourdst::composition::CompositionAbstract &comp,
double T9,
double rho
) const override;
void generateJacobianMatrix(
const fourdst::composition::Composition& comp,
gridfire::engine::NetworkJacobian generateJacobianMatrix(
const fourdst::composition::CompositionAbstract& comp,
double T9,
double rho
) const override;
void generateJacobianMatrix(
gridfire::engine::NetworkJacobian generateJacobianMatrix(
const fourdst::composition::CompositionAbstract &comp,
double T9,
double rho,
const std::vector<fourdst::atomic::Species> &activeSpecies
) const override;
void generateJacobianMatrix(
const fourdst::composition::Composition& comp,
gridfire::engine::NetworkJacobian generateJacobianMatrix(
const fourdst::composition::CompositionAbstract& comp,
double T9,
double rho,
const gridfire::SparsityPattern &sparsityPattern
) const override;
double getJacobianMatrixEntry(
const fourdst::atomic::Species& rowSpecies,
const fourdst::atomic::Species& colSpecies
const gridfire::engine::SparsityPattern &sparsityPattern
) const override;
void generateStoichiometryMatrix() override;
@@ -77,14 +71,14 @@ public:
const gridfire::reaction::ReactionSet& reactions
) override;
std::expected<std::unordered_map<fourdst::atomic::Species, double>, gridfire::expectations::StaleEngineError> getSpeciesTimescales(
std::expected<std::unordered_map<fourdst::atomic::Species, double>, gridfire::engine::EngineStatus> getSpeciesTimescales(
const fourdst::composition::CompositionAbstract &comp,
double T9,
double rho
) const override;
std::expected<std::unordered_map<fourdst::atomic::Species, double>, gridfire::expectations::StaleEngineError> getSpeciesDestructionTimescales(
const fourdst::composition::Composition &comp,
std::expected<std::unordered_map<fourdst::atomic::Species, double>, gridfire::engine::EngineStatus> getSpeciesDestructionTimescales(
const fourdst::composition::CompositionAbstract &comp,
double T9,
double rho
) const override;
@@ -111,38 +105,44 @@ public:
const gridfire::NetIn &netIn
) const override;
gridfire::PrimingReport primeEngine(
gridfire::engine::PrimingReport primeEngine(
const gridfire::NetIn &netIn
) override;
gridfire::BuildDepthType getDepth() const override {
gridfire::engine::BuildDepthType getDepth() const override {
throw std::logic_error("Network depth not supported by this engine.");
}
void rebuild(
const fourdst::composition::CompositionAbstract &comp,
gridfire::BuildDepthType depth
gridfire::engine::BuildDepthType depth
) override {
throw std::logic_error("Setting network depth not supported by this engine.");
}
[[nodiscard]] gridfire::EnergyDerivatives calculateEpsDerivatives(
const fourdst::composition::Composition &comp,
[[nodiscard]] gridfire::engine::EnergyDerivatives calculateEpsDerivatives(
const fourdst::composition::CompositionAbstract &comp,
double T9,
double rho
) const override;
fourdst::composition::Composition collectComposition(
fourdst::composition::Composition &comp
const fourdst::composition::CompositionAbstract &comp,
double T9,
double rho
) const override;
gridfire::engine::SpeciesStatus getSpeciesStatus(
const fourdst::atomic::Species &species
) const override;
private:
mutable std::vector<fourdst::atomic::Species> m_species_cache;
};
class PyEngineView final : public gridfire::EngineView<gridfire::Engine> {
[[nodiscard]] const gridfire::Engine& getBaseEngine() const override;
class PyEngineView final : public gridfire::engine::EngineView<gridfire::engine::Engine> {
[[nodiscard]] const gridfire::engine::Engine& getBaseEngine() const override;
};
class PyDynamicEngineView final : public gridfire::EngineView<gridfire::DynamicEngine> {
[[nodiscard]] const gridfire::DynamicEngine& getBaseEngine() const override;
class PyDynamicEngineView final : public gridfire::engine::EngineView<gridfire::engine::DynamicEngine> {
[[nodiscard]] const gridfire::engine::DynamicEngine& getBaseEngine() const override;
};