feat(python): added robust python bindings covering the entire codebase
This commit is contained in:
391
src/python/engine/bindings.cpp
Normal file
391
src/python/engine/bindings.cpp
Normal file
@@ -0,0 +1,391 @@
|
||||
#include <pybind11/pybind11.h>
|
||||
#include <pybind11/stl.h> // Needed for vectors, maps, sets, strings
|
||||
#include <pybind11/stl_bind.h> // Needed for binding std::vector, std::map etc if needed directly
|
||||
|
||||
#include <iostream>
|
||||
|
||||
#include "bindings.h"
|
||||
|
||||
#include "gridfire/engine/engine.h"
|
||||
#include "trampoline/py_engine.h"
|
||||
|
||||
|
||||
|
||||
namespace py = pybind11;
|
||||
|
||||
namespace {
|
||||
template <typename T>
|
||||
concept IsDynamicEngine = std::is_base_of_v<gridfire::DynamicEngine, T>;
|
||||
|
||||
template <IsDynamicEngine T, IsDynamicEngine BaseT>
|
||||
void registerDynamicEngineDefs(py::class_<T, BaseT> pyClass) {
|
||||
pyClass.def("calculateRHSAndEnergy", &T::calculateRHSAndEnergy,
|
||||
py::arg("Y"),
|
||||
py::arg("T9"),
|
||||
py::arg("rho"),
|
||||
"Calculate the right-hand side (dY/dt) and energy generation rate."
|
||||
)
|
||||
.def("generateJacobianMatrix", py::overload_cast<const std::vector<double>&, double, double>(&T::generateJacobianMatrix, py::const_),
|
||||
py::arg("Y_dynamic"),
|
||||
py::arg("T9"),
|
||||
py::arg("rho"),
|
||||
"Generate the Jacobian matrix for the current state."
|
||||
)
|
||||
.def("generateStoichiometryMatrix", &T::generateStoichiometryMatrix)
|
||||
.def("calculateMolarReactionFlow",
|
||||
static_cast<double (T::*)(const gridfire::reaction::Reaction&, const std::vector<double>&, const double, const double) const>(&T::calculateMolarReactionFlow),
|
||||
py::arg("reaction"),
|
||||
py::arg("Y"),
|
||||
py::arg("T9"),
|
||||
py::arg("rho"),
|
||||
"Calculate the molar reaction flow for a given reaction."
|
||||
)
|
||||
.def("getNetworkSpecies", &T::getNetworkSpecies,
|
||||
"Get the list of species in the network."
|
||||
)
|
||||
.def("getNetworkReactions", &T::getNetworkReactions,
|
||||
"Get the set of logical reactions in the network."
|
||||
)
|
||||
.def ("setNetworkReactions", &T::setNetworkReactions,
|
||||
py::arg("reactions"),
|
||||
"Set the network reactions to a new set of reactions."
|
||||
)
|
||||
.def("getJacobianMatrixEntry", &T::getJacobianMatrixEntry,
|
||||
py::arg("i"),
|
||||
py::arg("j"),
|
||||
"Get an entry from the previously generated Jacobian matrix."
|
||||
)
|
||||
.def("getStoichiometryMatrixEntry", &T::getStoichiometryMatrixEntry,
|
||||
py::arg("speciesIndex"),
|
||||
py::arg("reactionIndex"),
|
||||
"Get an entry from the stoichiometry matrix."
|
||||
)
|
||||
.def("getSpeciesTimescales", &T::getSpeciesTimescales,
|
||||
py::arg("Y"),
|
||||
py::arg("T9"),
|
||||
py::arg("rho"),
|
||||
"Get the timescales for each species in the network."
|
||||
)
|
||||
.def("getSpeciesDestructionTimescales", &T::getSpeciesDestructionTimescales,
|
||||
py::arg("Y"),
|
||||
py::arg("T9"),
|
||||
py::arg("rho"),
|
||||
"Get the destruction timescales for each species in the network."
|
||||
)
|
||||
.def("update", &T::update,
|
||||
py::arg("netIn"),
|
||||
"Update the engine state based on the provided NetIn object."
|
||||
)
|
||||
.def("setScreeningModel", &T::setScreeningModel,
|
||||
py::arg("screeningModel"),
|
||||
"Set the screening model for the engine."
|
||||
)
|
||||
.def("getScreeningModel", &T::getScreeningModel,
|
||||
"Get the current screening model of the engine."
|
||||
)
|
||||
.def("getSpeciesIndex", &T::getSpeciesIndex,
|
||||
py::arg("species"),
|
||||
"Get the index of a species in the network."
|
||||
)
|
||||
.def("mapNetInToMolarAbundanceVector", &T::mapNetInToMolarAbundanceVector,
|
||||
py::arg("netIn"),
|
||||
"Map a NetIn object to a vector of molar abundances."
|
||||
)
|
||||
.def("primeEngine", &T::primeEngine,
|
||||
py::arg("netIn"),
|
||||
"Prime the engine with a NetIn object to prepare for calculations."
|
||||
)
|
||||
.def("getDepth", &T::getDepth,
|
||||
"Get the current build depth of the engine."
|
||||
)
|
||||
.def("rebuild", &T::rebuild,
|
||||
py::arg("composition"),
|
||||
py::arg("depth") = gridfire::NetworkBuildDepth::Full,
|
||||
"Rebuild the engine with a new composition and build depth."
|
||||
)
|
||||
.def("isStale", &T::isStale,
|
||||
py::arg("netIn"),
|
||||
"Check if the engine is stale based on the provided NetIn object."
|
||||
);
|
||||
|
||||
}
|
||||
}
|
||||
|
||||
void register_engine_bindings(py::module &m) {
|
||||
register_base_engine_bindings(m);
|
||||
register_engine_view_bindings(m);
|
||||
|
||||
m.def("build_reaclib_nuclear_network", &gridfire::build_reaclib_nuclear_network,
|
||||
py::arg("composition"),
|
||||
py::arg("maxLayers") = gridfire::NetworkBuildDepth::Full,
|
||||
py::arg("reverse") = false,
|
||||
"Build a nuclear network from a composition using ReacLib data."
|
||||
);
|
||||
|
||||
py::enum_<gridfire::PrimingReportStatus>(m, "PrimingReportStatus")
|
||||
.value("FULL_SUCCESS", gridfire::PrimingReportStatus::FULL_SUCCESS, "Priming was full successful.")
|
||||
.value("NO_SPECIES_TO_PRIME", gridfire::PrimingReportStatus::NO_SPECIES_TO_PRIME, "No species to prime.")
|
||||
.value("MAX_ITERATIONS_REACHED", gridfire::PrimingReportStatus::MAX_ITERATIONS_REACHED, "Maximum iterations reached during priming.")
|
||||
.value("FAILED_TO_FINALIZE_COMPOSITION", gridfire::PrimingReportStatus::FAILED_TO_FINALIZE_COMPOSITION, "Failed to finalize the composition after priming.")
|
||||
.value("FAILED_TO_FIND_CREATION_CHANNEL", gridfire::PrimingReportStatus::FAILED_TO_FIND_CREATION_CHANNEL, "Failed to find a creation channel for the priming species.")
|
||||
.value("FAILED_TO_FIND_PRIMING_REACTIONS", gridfire::PrimingReportStatus::FAILED_TO_FIND_PRIMING_REACTIONS, "Failed to find priming reactions for the species.")
|
||||
.value("BASE_NETWORK_TOO_SHALLOW", gridfire::PrimingReportStatus::BASE_NETWORK_TOO_SHALLOW, "The base network is too shallow for priming.")
|
||||
.export_values()
|
||||
.def("__repr__", [](const gridfire::PrimingReportStatus& status) {
|
||||
std::stringstream ss;
|
||||
ss << gridfire::PrimingReportStatusStrings.at(status) << "\n";
|
||||
return ss.str();
|
||||
},
|
||||
"String representation of the PrimingReport."
|
||||
);
|
||||
|
||||
py::class_<gridfire::PrimingReport>(m, "PrimingReport")
|
||||
.def_readonly("success", &gridfire::PrimingReport::success, "Indicates if the priming was successful.")
|
||||
.def_readonly("massFractionChanges", &gridfire::PrimingReport::massFractionChanges, "Map of species to their mass fraction changes after priming.")
|
||||
.def_readonly("primedComposition", &gridfire::PrimingReport::primedComposition, "The composition after priming.")
|
||||
.def_readonly("status", &gridfire::PrimingReport::status, "Status message from the priming process.")
|
||||
.def("__repr__", [](const gridfire::PrimingReport& report) {
|
||||
std::stringstream ss;
|
||||
ss << report;
|
||||
return ss.str();
|
||||
}
|
||||
);
|
||||
}
|
||||
|
||||
void register_base_engine_bindings(pybind11::module &m) {
|
||||
|
||||
py::class_<gridfire::StepDerivatives<double>>(m, "StepDerivatives")
|
||||
.def_readonly("dYdt", &gridfire::StepDerivatives<double>::dydt, "The right-hand side (dY/dt) of the ODE system.")
|
||||
.def_readonly("energy", &gridfire::StepDerivatives<double>::nuclearEnergyGenerationRate, "The energy generation rate.");
|
||||
|
||||
py::class_<gridfire::SparsityPattern>(m, "SparsityPattern");
|
||||
|
||||
abs_stype_register_engine_bindings(m);
|
||||
abs_stype_register_dynamic_engine_bindings(m);
|
||||
con_stype_register_graph_engine_bindings(m);
|
||||
}
|
||||
|
||||
void abs_stype_register_engine_bindings(pybind11::module &m) {
|
||||
py::class_<gridfire::Engine, PyEngine>(m, "Engine");
|
||||
}
|
||||
|
||||
void abs_stype_register_dynamic_engine_bindings(pybind11::module &m) {
|
||||
const auto a = py::class_<gridfire::DynamicEngine, PyDynamicEngine>(m, "DynamicEngine");
|
||||
}
|
||||
|
||||
void con_stype_register_graph_engine_bindings(pybind11::module &m) {
|
||||
py::enum_<gridfire::NetworkBuildDepth>(m, "NetworkBuildDepth")
|
||||
.value("Full", gridfire::NetworkBuildDepth::Full, "Full network build depth")
|
||||
.value("Shallow", gridfire::NetworkBuildDepth::Shallow, "Shallow network build depth")
|
||||
.value("SecondOrder", gridfire::NetworkBuildDepth::SecondOrder, "Second order network build depth")
|
||||
.value("ThirdOrder", gridfire::NetworkBuildDepth::ThirdOrder, "Third order network build depth")
|
||||
.value("FourthOrder", gridfire::NetworkBuildDepth::FourthOrder, "Fourth order network build depth")
|
||||
.value("FifthOrder", gridfire::NetworkBuildDepth::FifthOrder, "Fifth order network build depth")
|
||||
.export_values();
|
||||
|
||||
py::class_<gridfire::BuildDepthType>(m, "BuildDepthType");
|
||||
|
||||
auto py_dynamic_engine_bindings = py::class_<gridfire::GraphEngine, gridfire::DynamicEngine>(m, "GraphEngine");
|
||||
|
||||
// Register the Graph Engine Specific Bindings
|
||||
py_dynamic_engine_bindings.def(py::init<const fourdst::composition::Composition &, const gridfire::BuildDepthType>(),
|
||||
py::arg("composition"),
|
||||
py::arg("depth") = gridfire::NetworkBuildDepth::Full,
|
||||
"Initialize GraphEngine with a composition and build depth."
|
||||
);
|
||||
py_dynamic_engine_bindings.def(py::init<const fourdst::composition::Composition &, const gridfire::partition::PartitionFunction &, const gridfire::BuildDepthType>(),
|
||||
py::arg("composition"),
|
||||
py::arg("partitionFunction"),
|
||||
py::arg("depth") = gridfire::NetworkBuildDepth::Full,
|
||||
"Initialize GraphEngine with a composition, partition function and build depth."
|
||||
);
|
||||
py_dynamic_engine_bindings.def(py::init<const gridfire::reaction::LogicalReactionSet &>(),
|
||||
py::arg("reactions"),
|
||||
"Initialize GraphEngine with a set of reactions."
|
||||
);
|
||||
py_dynamic_engine_bindings.def("generateJacobianMatrix", py::overload_cast<const std::vector<double>&, double, double, const gridfire::SparsityPattern&>(&gridfire::GraphEngine::generateJacobianMatrix, py::const_),
|
||||
py::arg("Y_dynamic"),
|
||||
py::arg("T9"),
|
||||
py::arg("rho"),
|
||||
py::arg("sparsityPattern"),
|
||||
"Generate the Jacobian matrix for the current state with a specified sparsity pattern."
|
||||
);
|
||||
py_dynamic_engine_bindings.def_static("getNetReactionStoichiometry", &gridfire::GraphEngine::getNetReactionStoichiometry,
|
||||
py::arg("reaction"),
|
||||
"Get the net stoichiometry for a given reaction."
|
||||
);
|
||||
py_dynamic_engine_bindings.def("involvesSpecies", &gridfire::GraphEngine::involvesSpecies,
|
||||
py::arg("species"),
|
||||
"Check if a given species is involved in the network."
|
||||
);
|
||||
py_dynamic_engine_bindings.def("exportToDot", &gridfire::GraphEngine::exportToDot,
|
||||
py::arg("filename"),
|
||||
"Export the network to a DOT file for visualization."
|
||||
);
|
||||
py_dynamic_engine_bindings.def("exportToCSV", &gridfire::GraphEngine::exportToCSV,
|
||||
py::arg("filename"),
|
||||
"Export the network to a CSV file for analysis."
|
||||
);
|
||||
py_dynamic_engine_bindings.def("setPrecomputation", &gridfire::GraphEngine::setPrecomputation,
|
||||
py::arg("precompute"),
|
||||
"Enable or disable precomputation for the engine."
|
||||
);
|
||||
py_dynamic_engine_bindings.def("isPrecomputationEnabled", &gridfire::GraphEngine::isPrecomputationEnabled,
|
||||
"Check if precomputation is enabled for the engine."
|
||||
);
|
||||
py_dynamic_engine_bindings.def("getPartitionFunction", &gridfire::GraphEngine::getPartitionFunction,
|
||||
"Get the partition function used by the engine."
|
||||
);
|
||||
py_dynamic_engine_bindings.def("calculateReverseRate", &gridfire::GraphEngine::calculateReverseRate,
|
||||
py::arg("reaction"),
|
||||
py::arg("T9"),
|
||||
"Calculate the reverse rate for a given reaction at a specific temperature."
|
||||
);
|
||||
py_dynamic_engine_bindings.def("calculateReverseRateTwoBody", &gridfire::GraphEngine::calculateReverseRateTwoBody,
|
||||
py::arg("reaction"),
|
||||
py::arg("T9"),
|
||||
py::arg("forwardRate"),
|
||||
py::arg("expFactor"),
|
||||
"Calculate the reverse rate for a two-body reaction at a specific temperature."
|
||||
);
|
||||
py_dynamic_engine_bindings.def("calculateReverseRateTwoBodyDerivative", &gridfire::GraphEngine::calculateReverseRateTwoBodyDerivative,
|
||||
py::arg("reaction"),
|
||||
py::arg("T9"),
|
||||
py::arg("reverseRate"),
|
||||
"Calculate the derivative of the reverse rate for a two-body reaction at a specific temperature."
|
||||
);
|
||||
py_dynamic_engine_bindings.def("isUsingReverseReactions", &gridfire::GraphEngine::isUsingReverseReactions,
|
||||
"Check if the engine is using reverse reactions."
|
||||
);
|
||||
py_dynamic_engine_bindings.def("setUseReverseReactions", &gridfire::GraphEngine::setUseReverseReactions,
|
||||
py::arg("useReverse"),
|
||||
"Enable or disable the use of reverse reactions in the engine."
|
||||
);
|
||||
|
||||
|
||||
// Register the general dynamic engine bindings
|
||||
registerDynamicEngineDefs<gridfire::GraphEngine, gridfire::DynamicEngine>(py_dynamic_engine_bindings);
|
||||
}
|
||||
|
||||
void register_engine_view_bindings(pybind11::module &m) {
|
||||
auto py_defined_engine_view_bindings = py::class_<gridfire::DefinedEngineView, gridfire::DynamicEngine>(m, "DefinedEngineView");
|
||||
|
||||
py_defined_engine_view_bindings.def(py::init<std::vector<std::string>, gridfire::DynamicEngine&>(),
|
||||
py::arg("peNames"),
|
||||
py::arg("baseEngine"),
|
||||
"Construct a defined engine view with a list of tracked reactions and a base engine.");
|
||||
py_defined_engine_view_bindings.def("getBaseEngine", &gridfire::DefinedEngineView::getBaseEngine,
|
||||
"Get the base engine associated with this defined engine view.");
|
||||
|
||||
registerDynamicEngineDefs<gridfire::DefinedEngineView, gridfire::DynamicEngine>(py_defined_engine_view_bindings);
|
||||
|
||||
auto py_file_defined_engine_view_bindings = py::class_<gridfire::FileDefinedEngineView, gridfire::DefinedEngineView>(m, "FileDefinedEngineView");
|
||||
py_file_defined_engine_view_bindings.def(py::init<gridfire::DynamicEngine&, const std::string&, const gridfire::io::NetworkFileParser&>(),
|
||||
py::arg("baseEngine"),
|
||||
py::arg("fileName"),
|
||||
py::arg("parser"),
|
||||
"Construct a defined engine view from a file and a base engine."
|
||||
);
|
||||
py_file_defined_engine_view_bindings.def("getNetworkFile", &gridfire::FileDefinedEngineView::getNetworkFile,
|
||||
"Get the network file associated with this defined engine view."
|
||||
);
|
||||
py_file_defined_engine_view_bindings.def("getParser", &gridfire::FileDefinedEngineView::getParser,
|
||||
"Get the parser used for this defined engine view."
|
||||
);
|
||||
py_file_defined_engine_view_bindings.def("getBaseEngine", &gridfire::FileDefinedEngineView::getBaseEngine,
|
||||
"Get the base engine associated with this file defined engine view.");
|
||||
|
||||
registerDynamicEngineDefs<gridfire::FileDefinedEngineView, gridfire::DefinedEngineView>(py_file_defined_engine_view_bindings);
|
||||
|
||||
auto py_priming_engine_view_bindings = py::class_<gridfire::NetworkPrimingEngineView, gridfire::DefinedEngineView>(m, "NetworkPrimingEngineView");
|
||||
py_priming_engine_view_bindings.def(py::init<const std::string&, gridfire::DynamicEngine&>(),
|
||||
py::arg("primingSymbol"),
|
||||
py::arg("baseEngine"),
|
||||
"Construct a priming engine view with a priming symbol and a base engine.");
|
||||
py_priming_engine_view_bindings.def(py::init<const fourdst::atomic::Species&, gridfire::DynamicEngine&>(),
|
||||
py::arg("primingSpecies"),
|
||||
py::arg("baseEngine"),
|
||||
"Construct a priming engine view with a priming species and a base engine.");
|
||||
py_priming_engine_view_bindings.def("getBaseEngine", &gridfire::NetworkPrimingEngineView::getBaseEngine,
|
||||
"Get the base engine associated with this priming engine view.");
|
||||
|
||||
registerDynamicEngineDefs<gridfire::NetworkPrimingEngineView, gridfire::DefinedEngineView>(py_priming_engine_view_bindings);
|
||||
|
||||
auto py_adaptive_engine_view_bindings = py::class_<gridfire::AdaptiveEngineView, gridfire::DynamicEngine>(m, "AdaptiveEngineView");
|
||||
py_adaptive_engine_view_bindings.def(py::init<gridfire::DynamicEngine&>(),
|
||||
py::arg("baseEngine"),
|
||||
"Construct an adaptive engine view with a base engine.");
|
||||
py_adaptive_engine_view_bindings.def("getBaseEngine", &gridfire::AdaptiveEngineView::getBaseEngine,
|
||||
"Get the base engine associated with this adaptive engine view.");
|
||||
|
||||
registerDynamicEngineDefs<gridfire::AdaptiveEngineView, gridfire::DynamicEngine>(py_adaptive_engine_view_bindings);
|
||||
|
||||
auto py_qse_cache_config = py::class_<gridfire::QSECacheConfig>(m, "QSECacheConfig");
|
||||
auto py_qse_cache_key = py::class_<gridfire::QSECacheKey>(m, "QSECacheKey");
|
||||
|
||||
py_qse_cache_key.def(py::init<double, double, const std::vector<double>&>(),
|
||||
py::arg("T9"),
|
||||
py::arg("rho"),
|
||||
py::arg("Y")
|
||||
);
|
||||
|
||||
py_qse_cache_key.def("hash", &gridfire::QSECacheKey::hash,
|
||||
"Get the pre-computed hash value of the key");
|
||||
|
||||
py_qse_cache_key.def_static("bin", &gridfire::QSECacheKey::bin,
|
||||
py::arg("value"),
|
||||
py::arg("tol"),
|
||||
"bin a value based on a tolerance");
|
||||
py_qse_cache_key.def("__eq__", &gridfire::QSECacheKey::operator==,
|
||||
py::arg("other"),
|
||||
"Check if two QSECacheKeys are equal");
|
||||
|
||||
auto py_multiscale_engine_view_bindings = py::class_<gridfire::MultiscalePartitioningEngineView, gridfire::DynamicEngine>(m, "MultiscalePartitioningEngineView");
|
||||
py_multiscale_engine_view_bindings.def(py::init<gridfire::GraphEngine&>(),
|
||||
py::arg("baseEngine"),
|
||||
"Construct a multiscale partitioning engine view with a base engine.");
|
||||
py_multiscale_engine_view_bindings.def("getBaseEngine", &gridfire::MultiscalePartitioningEngineView::getBaseEngine,
|
||||
"Get the base engine associated with this multiscale partitioning engine view.");
|
||||
py_multiscale_engine_view_bindings.def("analyzeTimescalePoolConnectivity", &gridfire::MultiscalePartitioningEngineView::analyzeTimescalePoolConnectivity,
|
||||
py::arg("timescale_pools"),
|
||||
py::arg("Y"),
|
||||
py::arg("T9"),
|
||||
py::arg("rho"),
|
||||
"Analyze the connectivity of timescale pools in the network.");
|
||||
py_multiscale_engine_view_bindings.def("partitionNetwork", py::overload_cast<const std::vector<double>&, double, double>(&gridfire::MultiscalePartitioningEngineView::partitionNetwork),
|
||||
py::arg("Y"),
|
||||
py::arg("T9"),
|
||||
py::arg("rho"),
|
||||
"Partition the network based on species timescales and connectivity.");
|
||||
py_multiscale_engine_view_bindings.def("partitionNetwork", py::overload_cast<const gridfire::NetIn&>(&gridfire::MultiscalePartitioningEngineView::partitionNetwork),
|
||||
py::arg("netIn"),
|
||||
"Partition the network based on a NetIn object.");
|
||||
py_multiscale_engine_view_bindings.def("exportToDot", &gridfire::MultiscalePartitioningEngineView::exportToDot,
|
||||
py::arg("filename"),
|
||||
py::arg("Y"),
|
||||
py::arg("T9"),
|
||||
py::arg("rho"),
|
||||
"Export the network to a DOT file for visualization.");
|
||||
py_multiscale_engine_view_bindings.def("getFastSpecies", &gridfire::MultiscalePartitioningEngineView::getFastSpecies,
|
||||
"Get the list of fast species in the network.");
|
||||
py_multiscale_engine_view_bindings.def("getDynamicSpecies", &gridfire::MultiscalePartitioningEngineView::getDynamicSpecies,
|
||||
"Get the list of dynamic species in the network.");
|
||||
py_multiscale_engine_view_bindings.def("equilibrateNetwork", py::overload_cast<const std::vector<double>&, double, double>(&gridfire::MultiscalePartitioningEngineView::equilibrateNetwork),
|
||||
py::arg("Y"),
|
||||
py::arg("T9"),
|
||||
py::arg("rho"),
|
||||
"Equilibrate the network based on species abundances and conditions.");
|
||||
py_multiscale_engine_view_bindings.def("equilibrateNetwork", py::overload_cast<const gridfire::NetIn&>(&gridfire::MultiscalePartitioningEngineView::equilibrateNetwork),
|
||||
py::arg("netIn"),
|
||||
"Equilibrate the network based on a NetIn object.");
|
||||
|
||||
registerDynamicEngineDefs<gridfire::MultiscalePartitioningEngineView, gridfire::DynamicEngine>(py_multiscale_engine_view_bindings);
|
||||
}
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
16
src/python/engine/bindings.h
Normal file
16
src/python/engine/bindings.h
Normal file
@@ -0,0 +1,16 @@
|
||||
#pragma once
|
||||
|
||||
#include <pybind11/pybind11.h>
|
||||
|
||||
void register_engine_bindings(pybind11::module &m);
|
||||
|
||||
void register_base_engine_bindings(pybind11::module &m);
|
||||
|
||||
void register_engine_view_bindings(pybind11::module &m);
|
||||
|
||||
void abs_stype_register_engine_bindings(pybind11::module &m);
|
||||
void abs_stype_register_dynamic_engine_bindings(pybind11::module &m);
|
||||
|
||||
void con_stype_register_graph_engine_bindings(pybind11::module &m);
|
||||
|
||||
|
||||
21
src/python/engine/meson.build
Normal file
21
src/python/engine/meson.build
Normal file
@@ -0,0 +1,21 @@
|
||||
subdir('trampoline')
|
||||
|
||||
# Define the library
|
||||
bindings_sources = files('bindings.cpp')
|
||||
bindings_headers = files('bindings.h')
|
||||
|
||||
dependencies = [
|
||||
gridfire_dep,
|
||||
python3_dep,
|
||||
pybind11_dep,
|
||||
]
|
||||
|
||||
message('⏳ Python bindings for GridFire Engine are being registered...')
|
||||
shared_module('py_gf_engine',
|
||||
bindings_sources,
|
||||
cpp_args: ['-fvisibility=default'],
|
||||
install : true,
|
||||
dependencies: dependencies,
|
||||
include_directories: include_directories('.')
|
||||
)
|
||||
message('✅ Python bindings for GridFire Engine registered successfully!')
|
||||
21
src/python/engine/trampoline/meson.build
Normal file
21
src/python/engine/trampoline/meson.build
Normal file
@@ -0,0 +1,21 @@
|
||||
gf_engine_trampoline_sources = files('py_engine.cpp')
|
||||
|
||||
gf_engine_trapoline_dependencies = [
|
||||
gridfire_dep,
|
||||
pybind11_dep,
|
||||
python3_dep,
|
||||
]
|
||||
|
||||
gf_engine_trampoline_lib = static_library(
|
||||
'engine_trampolines',
|
||||
gf_engine_trampoline_sources,
|
||||
include_directories: include_directories('.'),
|
||||
dependencies: gf_engine_trapoline_dependencies,
|
||||
install: false,
|
||||
)
|
||||
|
||||
gr_engine_trampoline_dep = declare_dependency(
|
||||
link_with: gf_engine_trampoline_lib,
|
||||
include_directories: ('.'),
|
||||
dependencies: gf_engine_trapoline_dependencies,
|
||||
)
|
||||
219
src/python/engine/trampoline/py_engine.cpp
Normal file
219
src/python/engine/trampoline/py_engine.cpp
Normal file
@@ -0,0 +1,219 @@
|
||||
#include "py_engine.h"
|
||||
|
||||
#include "gridfire/engine/engine.h"
|
||||
|
||||
#include <pybind11/pybind11.h>
|
||||
#include <pybind11/stl.h>
|
||||
#include <pybind11/functional.h> // Needed for std::function
|
||||
|
||||
#include <expected>
|
||||
#include <unordered_map>
|
||||
#include <vector>
|
||||
|
||||
|
||||
namespace py = pybind11;
|
||||
|
||||
const std::vector<fourdst::atomic::Species>& PyEngine::getNetworkSpecies() const {
|
||||
PYBIND11_OVERRIDE_PURE(
|
||||
std::vector<fourdst::atomic::Species>,
|
||||
gridfire::Engine, /* Base class */
|
||||
getNetworkSpecies
|
||||
);
|
||||
}
|
||||
|
||||
std::expected<gridfire::StepDerivatives<double>, gridfire::expectations::StaleEngineError> PyEngine::calculateRHSAndEnergy(const std::vector<double> &Y, double T9, double rho) const {
|
||||
PYBIND11_OVERRIDE_PURE(
|
||||
PYBIND11_TYPE(std::expected<gridfire::StepDerivatives<double>, gridfire::expectations::StaleEngineError>),
|
||||
gridfire::Engine,
|
||||
calculateRHSAndEnergy,
|
||||
Y, T9, rho
|
||||
);
|
||||
}
|
||||
|
||||
///////////////////////////////////////
|
||||
/// PyDynamicEngine Implementation ///
|
||||
/////////////////////////////////////
|
||||
|
||||
const std::vector<fourdst::atomic::Species>& PyDynamicEngine::getNetworkSpecies() const {
|
||||
PYBIND11_OVERRIDE_PURE(
|
||||
std::vector<fourdst::atomic::Species>,
|
||||
gridfire::DynamicEngine, /* Base class */
|
||||
getNetworkSpecies
|
||||
);
|
||||
}
|
||||
std::expected<gridfire::StepDerivatives<double>, gridfire::expectations::StaleEngineError> PyDynamicEngine::calculateRHSAndEnergy(const std::vector<double> &Y, double T9, double rho) const {
|
||||
PYBIND11_OVERRIDE_PURE(
|
||||
PYBIND11_TYPE(std::expected<gridfire::StepDerivatives<double>, gridfire::expectations::StaleEngineError>),
|
||||
gridfire::Engine,
|
||||
calculateRHSAndEnergy,
|
||||
Y, T9, rho
|
||||
);
|
||||
}
|
||||
|
||||
void PyDynamicEngine::generateJacobianMatrix(const std::vector<double> &Y_dynamic, double T9, double rho) const {
|
||||
PYBIND11_OVERRIDE_PURE(
|
||||
void,
|
||||
gridfire::DynamicEngine,
|
||||
generateJacobianMatrix,
|
||||
Y_dynamic, T9, rho
|
||||
);
|
||||
}
|
||||
|
||||
void PyDynamicEngine::generateJacobianMatrix(const std::vector<double> &Y_dynamic, double T9, double rho, const gridfire::SparsityPattern &sparsityPattern) const {
|
||||
PYBIND11_OVERRIDE_PURE(
|
||||
void,
|
||||
gridfire::DynamicEngine,
|
||||
generateJacobianMatrix,
|
||||
Y_dynamic, T9, rho, sparsityPattern
|
||||
);
|
||||
}
|
||||
|
||||
double PyDynamicEngine::getJacobianMatrixEntry(int i, int j) const {
|
||||
PYBIND11_OVERRIDE_PURE(
|
||||
double,
|
||||
gridfire::DynamicEngine,
|
||||
getJacobianMatrixEntry,
|
||||
i, j
|
||||
);
|
||||
}
|
||||
|
||||
void PyDynamicEngine::generateStoichiometryMatrix() {
|
||||
PYBIND11_OVERRIDE_PURE(
|
||||
void,
|
||||
gridfire::DynamicEngine,
|
||||
generateStoichiometryMatrix
|
||||
);
|
||||
}
|
||||
|
||||
int PyDynamicEngine::getStoichiometryMatrixEntry(int speciesIndex, int reactionIndex) const {
|
||||
PYBIND11_OVERRIDE_PURE(
|
||||
int,
|
||||
gridfire::DynamicEngine,
|
||||
getStoichiometryMatrixEntry,
|
||||
speciesIndex, reactionIndex
|
||||
);
|
||||
}
|
||||
|
||||
double PyDynamicEngine::calculateMolarReactionFlow(const gridfire::reaction::Reaction &reaction, const std::vector<double> &Y, double T9, double rho) const {
|
||||
PYBIND11_OVERRIDE_PURE(
|
||||
double,
|
||||
gridfire::DynamicEngine,
|
||||
calculateMolarReactionFlow,
|
||||
reaction, Y, T9, rho
|
||||
);
|
||||
}
|
||||
|
||||
const gridfire::reaction::LogicalReactionSet& PyDynamicEngine::getNetworkReactions() const {
|
||||
PYBIND11_OVERRIDE_PURE(
|
||||
const gridfire::reaction::LogicalReactionSet&,
|
||||
gridfire::DynamicEngine,
|
||||
getNetworkReactions
|
||||
);
|
||||
}
|
||||
|
||||
void PyDynamicEngine::setNetworkReactions(const gridfire::reaction::LogicalReactionSet& reactions) {
|
||||
PYBIND11_OVERRIDE_PURE(
|
||||
void,
|
||||
gridfire::DynamicEngine,
|
||||
setNetworkReactions,
|
||||
reactions
|
||||
);
|
||||
}
|
||||
|
||||
std::expected<std::unordered_map<fourdst::atomic::Species, double>, gridfire::expectations::StaleEngineError> PyDynamicEngine::getSpeciesTimescales(const std::vector<double> &Y, double T9, double rho) const {
|
||||
PYBIND11_OVERRIDE_PURE(
|
||||
PYBIND11_TYPE(std::expected<std::unordered_map<fourdst::atomic::Species, double>, gridfire::expectations::StaleEngineError>),
|
||||
gridfire::DynamicEngine,
|
||||
getSpeciesTimescales,
|
||||
Y, T9, rho
|
||||
);
|
||||
}
|
||||
|
||||
std::expected<std::unordered_map<fourdst::atomic::Species, double>, gridfire::expectations::StaleEngineError> PyDynamicEngine::getSpeciesDestructionTimescales(const std::vector<double> &Y, double T9, double rho) const {
|
||||
PYBIND11_OVERRIDE_PURE(
|
||||
PYBIND11_TYPE(std::expected<std::unordered_map<fourdst::atomic::Species, double>, gridfire::expectations::StaleEngineError>),
|
||||
gridfire::DynamicEngine,
|
||||
getSpeciesDestructionTimescales,
|
||||
Y, T9, rho
|
||||
);
|
||||
}
|
||||
|
||||
fourdst::composition::Composition PyDynamicEngine::update(const gridfire::NetIn &netIn) {
|
||||
PYBIND11_OVERRIDE_PURE(
|
||||
fourdst::composition::Composition,
|
||||
gridfire::DynamicEngine,
|
||||
update,
|
||||
netIn
|
||||
);
|
||||
}
|
||||
|
||||
bool PyDynamicEngine::isStale(const gridfire::NetIn &netIn) {
|
||||
PYBIND11_OVERRIDE_PURE(
|
||||
bool,
|
||||
gridfire::DynamicEngine,
|
||||
isStale,
|
||||
netIn
|
||||
);
|
||||
}
|
||||
|
||||
void PyDynamicEngine::setScreeningModel(gridfire::screening::ScreeningType model) {
|
||||
PYBIND11_OVERRIDE_PURE(
|
||||
void,
|
||||
gridfire::DynamicEngine,
|
||||
setScreeningModel,
|
||||
model
|
||||
);
|
||||
}
|
||||
|
||||
gridfire::screening::ScreeningType PyDynamicEngine::getScreeningModel() const {
|
||||
PYBIND11_OVERRIDE_PURE(
|
||||
gridfire::screening::ScreeningType,
|
||||
gridfire::DynamicEngine,
|
||||
getScreeningModel
|
||||
);
|
||||
}
|
||||
|
||||
int PyDynamicEngine::getSpeciesIndex(const fourdst::atomic::Species &species) const {
|
||||
PYBIND11_OVERRIDE_PURE(
|
||||
int,
|
||||
gridfire::DynamicEngine,
|
||||
getSpeciesIndex,
|
||||
species
|
||||
);
|
||||
}
|
||||
|
||||
std::vector<double> PyDynamicEngine::mapNetInToMolarAbundanceVector(const gridfire::NetIn &netIn) const {
|
||||
PYBIND11_OVERRIDE_PURE(
|
||||
std::vector<double>,
|
||||
gridfire::DynamicEngine,
|
||||
mapNetInToMolarAbundanceVector,
|
||||
netIn
|
||||
);
|
||||
}
|
||||
|
||||
gridfire::PrimingReport PyDynamicEngine::primeEngine(const gridfire::NetIn &netIn) {
|
||||
PYBIND11_OVERRIDE_PURE(
|
||||
gridfire::PrimingReport,
|
||||
gridfire::DynamicEngine,
|
||||
primeEngine,
|
||||
netIn
|
||||
);
|
||||
}
|
||||
|
||||
const gridfire::Engine& PyEngineView::getBaseEngine() const {
|
||||
PYBIND11_OVERRIDE_PURE(
|
||||
const gridfire::Engine&,
|
||||
gridfire::EngineView<gridfire::Engine>,
|
||||
getBaseEngine
|
||||
);
|
||||
}
|
||||
|
||||
const gridfire::DynamicEngine& PyDynamicEngineView::getBaseEngine() const {
|
||||
PYBIND11_OVERRIDE_PURE(
|
||||
const gridfire::DynamicEngine&,
|
||||
gridfire::EngineView<gridfire::DynamicEngine>,
|
||||
getBaseEngine
|
||||
);
|
||||
}
|
||||
|
||||
|
||||
52
src/python/engine/trampoline/py_engine.h
Normal file
52
src/python/engine/trampoline/py_engine.h
Normal file
@@ -0,0 +1,52 @@
|
||||
#pragma once
|
||||
|
||||
#include "gridfire/engine/engine.h"
|
||||
#include "gridfire/expectations/expected_engine.h"
|
||||
|
||||
#include "fourdst/composition/atomicSpecies.h"
|
||||
|
||||
#include <vector>
|
||||
#include <expected>
|
||||
|
||||
|
||||
class PyEngine final : public gridfire::Engine {
|
||||
public:
|
||||
const std::vector<fourdst::atomic::Species>& getNetworkSpecies() const override;
|
||||
std::expected<gridfire::StepDerivatives<double>,gridfire::expectations::StaleEngineError> calculateRHSAndEnergy(const std::vector<double> &Y, double T9, double rho) const override;
|
||||
};
|
||||
|
||||
class PyDynamicEngine final : public gridfire::DynamicEngine {
|
||||
const std::vector<fourdst::atomic::Species>& getNetworkSpecies() const override;
|
||||
std::expected<gridfire::StepDerivatives<double>,gridfire::expectations::StaleEngineError> calculateRHSAndEnergy(const std::vector<double> &Y, double T9, double rho) const override;
|
||||
void generateJacobianMatrix(const std::vector<double> &Y_dynamic, double T9, double rho) const override;
|
||||
void generateJacobianMatrix(const std::vector<double> &Y_dynamic, double T9, double rho, const gridfire::SparsityPattern &sparsityPattern) const override;
|
||||
double getJacobianMatrixEntry(int i, int j) const override;
|
||||
void generateStoichiometryMatrix() override;
|
||||
int getStoichiometryMatrixEntry(int speciesIndex, int reactionIndex) const override;
|
||||
double calculateMolarReactionFlow(const gridfire::reaction::Reaction &reaction, const std::vector<double> &Y, double T9, double rho) const override;
|
||||
const gridfire::reaction::LogicalReactionSet& getNetworkReactions() const override;
|
||||
void setNetworkReactions(const gridfire::reaction::LogicalReactionSet& reactions) override;
|
||||
std::expected<std::unordered_map<fourdst::atomic::Species, double>, gridfire::expectations::StaleEngineError> getSpeciesTimescales(const std::vector<double> &Y, double T9, double rho) const override;
|
||||
std::expected<std::unordered_map<fourdst::atomic::Species, double>, gridfire::expectations::StaleEngineError> getSpeciesDestructionTimescales(const std::vector<double> &Y, double T9, double rho) const override;
|
||||
fourdst::composition::Composition update(const gridfire::NetIn &netIn) override;
|
||||
bool isStale(const gridfire::NetIn &netIn) override;
|
||||
void setScreeningModel(gridfire::screening::ScreeningType model) override;
|
||||
gridfire::screening::ScreeningType getScreeningModel() const override;
|
||||
int getSpeciesIndex(const fourdst::atomic::Species &species) const override;
|
||||
std::vector<double> mapNetInToMolarAbundanceVector(const gridfire::NetIn &netIn) const override;
|
||||
gridfire::PrimingReport primeEngine(const gridfire::NetIn &netIn) override;
|
||||
gridfire::BuildDepthType getDepth() const override {
|
||||
throw std::logic_error("Network depth not supported by this engine.");
|
||||
}
|
||||
void rebuild(const fourdst::composition::Composition& comp, gridfire::BuildDepthType depth) override {
|
||||
throw std::logic_error("Setting network depth not supported by this engine.");
|
||||
}
|
||||
};
|
||||
|
||||
class PyEngineView final : public gridfire::EngineView<gridfire::Engine> {
|
||||
const gridfire::Engine& getBaseEngine() const override;
|
||||
};
|
||||
|
||||
class PyDynamicEngineView final : public gridfire::EngineView<gridfire::DynamicEngine> {
|
||||
const gridfire::DynamicEngine& getBaseEngine() const override;
|
||||
};
|
||||
Reference in New Issue
Block a user