Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

Sign up for GitHub

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Jump to bottom

Expose entropy to python api #300

Open
wants to merge 6 commits into
base: main
Choose a base branch
from
Open

Expose entropy to python api #300

Show file tree
Hide file tree
Changes from 4 commits
Commits
Show all changes
6 commits
Select commit Hold shift + click to select a range
98b5ac6
feat: expose python API to entropy
AstroBarker Aug 30, 2023
5d1c583
feat: add python test for vector entropy bindings
AstroBarker Aug 31, 2023
513f2ec
update changelog
AstroBarker Aug 31, 2023
8a2aa40
Merge branch 'main' into blb/python_entropy
Yurlungur Aug 31, 2023
aba2130
merge main
jonahm-LANL Nov 30, 2023
59d28ae
Merge branch 'main' into blb/python_entropy
Yurlungur Nov 30, 2023
File filter

Filter by extension

Filter by extension
Conversations
Failed to load comments.
Loading
Jump to
Jump to file
Failed to load files.
Loading
Diff view
Diff view
1 change: 1 addition & 0 deletions CHANGELOG.md
View file
Open in desktop
Original file line number Diff line number Diff line change
Expand Up @@ -22,6 +22,7 @@
- [[PR232]](https://github.com/lanl/singularity-eos/pull/228) Fixed uninitialized cmake path variables

### Added (new features/APIs/variables/...)
- [[PR300]](https://github.com/lanl/singularity-eos/pull/300) Expose entropy functionality to Python API
- [[PR265]](https://github.com/lanl/singularity-eos/pull/265) Add missing UnitSystem modifier combinations to variant and EOSPAC
- [[PR279]](https://github.com/lanl/singularity-eos/pull/279) added noble-abel EoS
- [[PR274]](https://github.com/lanl/singularity-eos/pull/274) added a stiffened gas EoS
Expand Down
1 change: 1 addition & 0 deletions python/module.cpp
View file
Open in desktop
Original file line number Diff line number Diff line change
Expand Up @@ -20,6 +20,7 @@ PYBIND11_MODULE(singularity_eos, m) {
.def_readwrite("density", &EOSState::density)
.def_readwrite("specific_internal_energy", &EOSState::specific_internal_energy)
.def_readwrite("pressure", &EOSState::pressure)
.def_readwrite("entropy", &EOSState::entropy)
.def_readwrite("temperature", &EOSState::temperature)
.def_readwrite("specific_heat", &EOSState::specific_heat)
.def_readwrite("bulk_modulus", &EOSState::bulk_modulus)
Expand Down
15 changes: 15 additions & 0 deletions python/module.hpp
View file
Open in desktop
Original file line number Diff line number Diff line change
Expand Up @@ -99,6 +99,8 @@ void func####NoLambdaWithScratch(const T & self, py::array_t<Real> a, py::array_
EOS_VEC_FUNC_TMPL(TemperatureFromDensityInternalEnergy, rhos, sies, temperatures)
EOS_VEC_FUNC_TMPL(InternalEnergyFromDensityTemperature, rhos, temperatures, sies)
EOS_VEC_FUNC_TMPL(PressureFromDensityTemperature, rhos, temperatures, pressures)
EOS_VEC_FUNC_TMPL(EntropyFromDensityTemperature, rhos, temperatures, pressures)
EOS_VEC_FUNC_TMPL(EntropyFromDensityInternalEnergy, rhos, sies, pressures)
EOS_VEC_FUNC_TMPL(PressureFromDensityInternalEnergy, rhos, sies, pressures)
EOS_VEC_FUNC_TMPL(SpecificHeatFromDensityTemperature, rhos, temperatures, cvs)
EOS_VEC_FUNC_TMPL(SpecificHeatFromDensityInternalEnergy, rhos, sies, cvs)
Expand All @@ -111,6 +113,7 @@ struct EOSState {
Real density;
Real specific_internal_energy;
Real pressure;
Real entropy;
Real temperature;
Real specific_heat;
Real bulk_modulus;
Expand All @@ -124,6 +127,7 @@ struct EOSState {
density(std::numeric_limits<Real>::quiet_NaN()),
specific_internal_energy(std::numeric_limits<Real>::quiet_NaN()),
pressure(std::numeric_limits<Real>::quiet_NaN()),
entropy(std::numeric_limits<Real>::quiet_NaN()),
temperature(std::numeric_limits<Real>::quiet_NaN()),
specific_heat(std::numeric_limits<Real>::quiet_NaN()),
bulk_modulus(std::numeric_limits<Real>::quiet_NaN()),
Expand All @@ -139,6 +143,7 @@ struct EOSState {
if(!std::isnan(density)) ss << "density: " << density << std::endl;
if(!std::isnan(specific_internal_energy)) ss << "specific_internal_energy: " << specific_internal_energy << std::endl;
if(!std::isnan(pressure)) ss << "pressure: " << pressure << std::endl;
if(!std::isnan(entropy)) ss << "entropy: " << entropy << std::endl;
if(!std::isnan(temperature)) ss << "temperature: " << temperature << std::endl;
if(!std::isnan(specific_heat)) ss << "specific_heat: " << specific_heat << std::endl;
if(!std::isnan(bulk_modulus)) ss << "bulk_modulus: " << bulk_modulus << std::endl;
Expand All @@ -160,6 +165,8 @@ struct VectorFunctions {
.def("InternalEnergyFromDensityTemperature", &InternalEnergyFromDensityTemperature<T>, py::arg("rhos"), py::arg("temperatures"), py::arg("sies"), py::arg("num"), py::arg("lmbdas"))
.def("PressureFromDensityTemperature", &PressureFromDensityTemperature<T>, py::arg("rhos"), py::arg("temperatures"), py::arg("pressures"), py::arg("num"), py::arg("lmbdas"))
.def("PressureFromDensityInternalEnergy", &PressureFromDensityInternalEnergy<T>, py::arg("rhos"), py::arg("sies"), py::arg("pressures"), py::arg("num"), py::arg("lmbdas"))
.def("EntropyFromDensityTemperature", &EntropyFromDensityTemperature<T>, py::arg("rhos"), py::arg("temperatures"), py::arg("pressures"), py::arg("num"), py::arg("lmbdas"))
.def("EntropyFromDensityInternalEnergy", &EntropyFromDensityInternalEnergy<T>, py::arg("rhos"), py::arg("sies"), py::arg("pressures"), py::arg("num"), py::arg("lmbdas"))
.def("SpecificHeatFromDensityTemperature", &SpecificHeatFromDensityTemperature<T>, py::arg("rhos"), py::arg("temperatures"), py::arg("cvs"), py::arg("num"), py::arg("lmbdas"))
.def("SpecificHeatFromDensityInternalEnergy", &SpecificHeatFromDensityInternalEnergy<T>, py::arg("rhos"), py::arg("sies"), py::arg("cvs"), py::arg("num"), py::arg("lmbdas"))
.def("BulkModulusFromDensityTemperature", &BulkModulusFromDensityTemperature<T>, py::arg("rhos"), py::arg("temperatures"), py::arg("bmods"), py::arg("num"), py::arg("lmbdas"))
Expand All @@ -171,6 +178,8 @@ struct VectorFunctions {
.def("InternalEnergyFromDensityTemperature", &InternalEnergyFromDensityTemperatureNoLambda<T>, py::arg("rhos"), py::arg("temperatures"), py::arg("sies"), py::arg("num"))
.def("PressureFromDensityTemperature", &PressureFromDensityTemperatureNoLambda<T>, py::arg("rhos"), py::arg("temperatures"), py::arg("pressures"), py::arg("num"))
.def("PressureFromDensityInternalEnergy", &PressureFromDensityInternalEnergyNoLambda<T>, py::arg("rhos"), py::arg("sies"), py::arg("pressures"), py::arg("num"))
.def("EntropyFromDensityTemperature", &EntropyFromDensityTemperatureNoLambda<T>, py::arg("rhos"), py::arg("temperatures"), py::arg("pressures"), py::arg("num"))
.def("EntropyFromDensityInternalEnergy", &EntropyFromDensityInternalEnergyNoLambda<T>, py::arg("rhos"), py::arg("sies"), py::arg("pressures"), py::arg("num"))
.def("SpecificHeatFromDensityTemperature", &SpecificHeatFromDensityTemperatureNoLambda<T>, py::arg("rhos"), py::arg("temperatures"), py::arg("cvs"), py::arg("num"))
.def("SpecificHeatFromDensityInternalEnergy", &SpecificHeatFromDensityInternalEnergyNoLambda<T>, py::arg("rhos"), py::arg("sies"), py::arg("cvs"), py::arg("num"))
.def("BulkModulusFromDensityTemperature", &BulkModulusFromDensityTemperatureNoLambda<T>, py::arg("rhos"), py::arg("temperatures"), py::arg("bmods"), py::arg("num"))
Expand Down Expand Up @@ -218,6 +227,8 @@ struct VectorFunctions<T,true> {
.def("InternalEnergyFromDensityTemperature", &InternalEnergyFromDensityTemperatureWithScratch<T>, py::arg("rhos"), py::arg("temperatures"), py::arg("sies"), py::arg("scratch"), py::arg("num"), py::arg("lmbdas"))
.def("PressureFromDensityTemperature", &PressureFromDensityTemperatureWithScratch<T>, py::arg("rhos"), py::arg("temperatures"), py::arg("pressures"), py::arg("scratch"), py::arg("num"), py::arg("lmbdas"))
.def("PressureFromDensityInternalEnergy", &PressureFromDensityInternalEnergyWithScratch<T>, py::arg("rhos"), py::arg("sies"), py::arg("pressures"), py::arg("scratch"), py::arg("num"), py::arg("lmbdas"))
.def("EntropyFromDensityTemperature", &EntropyFromDensityTemperatureWithScratch<T>, py::arg("rhos"), py::arg("temperatures"), py::arg("pressures"), py::arg("scratch"), py::arg("num"), py::arg("lmbdas"))
.def("EntropyFromDensityInternalEnergy", &EntropyFromDensityInternalEnergyWithScratch<T>, py::arg("rhos"), py::arg("sies"), py::arg("pressures"), py::arg("scratch"), py::arg("num"), py::arg("lmbdas"))
.def("SpecificHeatFromDensityTemperature", &SpecificHeatFromDensityTemperatureWithScratch<T>, py::arg("rhos"), py::arg("temperatures"), py::arg("cvs"), py::arg("scratch"), py::arg("num"), py::arg("lmbdas"))
.def("SpecificHeatFromDensityInternalEnergy", &SpecificHeatFromDensityInternalEnergyWithScratch<T>, py::arg("rhos"), py::arg("sies"), py::arg("cvs"), py::arg("scratch"), py::arg("num"), py::arg("lmbdas"))
.def("BulkModulusFromDensityTemperature", &BulkModulusFromDensityTemperatureWithScratch<T>, py::arg("rhos"), py::arg("temperatures"), py::arg("bmods"), py::arg("scratch"), py::arg("num"), py::arg("lmbdas"))
Expand All @@ -229,6 +240,8 @@ struct VectorFunctions<T,true> {
.def("InternalEnergyFromDensityTemperature", &InternalEnergyFromDensityTemperatureNoLambdaWithScratch<T>, py::arg("rhos"), py::arg("temperatures"), py::arg("sies"), py::arg("scratch"), py::arg("num"))
.def("PressureFromDensityTemperature", &PressureFromDensityTemperatureNoLambdaWithScratch<T>, py::arg("rhos"), py::arg("temperatures"), py::arg("pressures"), py::arg("scratch"), py::arg("num"))
.def("PressureFromDensityInternalEnergy", &PressureFromDensityInternalEnergyNoLambdaWithScratch<T>, py::arg("rhos"), py::arg("sies"), py::arg("pressures"), py::arg("scratch"), py::arg("num"))
.def("EntropyFromDensityTemperature", &EntropyFromDensityTemperatureNoLambdaWithScratch<T>, py::arg("rhos"), py::arg("temperatures"), py::arg("pressures"), py::arg("scratch"), py::arg("num"))
.def("EntropyFromDensityInternalEnergy", &EntropyFromDensityInternalEnergyNoLambdaWithScratch<T>, py::arg("rhos"), py::arg("sies"), py::arg("pressures"), py::arg("scratch"), py::arg("num"))
.def("SpecificHeatFromDensityTemperature", &SpecificHeatFromDensityTemperatureNoLambdaWithScratch<T>, py::arg("rhos"), py::arg("temperatures"), py::arg("cvs"), py::arg("scratch"), py::arg("num"))
.def("SpecificHeatFromDensityInternalEnergy", &SpecificHeatFromDensityInternalEnergyNoLambdaWithScratch<T>, py::arg("rhos"), py::arg("sies"), py::arg("cvs"), py::arg("scratch"), py::arg("num"))
.def("BulkModulusFromDensityTemperature", &BulkModulusFromDensityTemperatureNoLambdaWithScratch<T>, py::arg("rhos"), py::arg("temperatures"), py::arg("bmods"), py::arg("scratch"), py::arg("num"))
Expand Down Expand Up @@ -277,6 +290,8 @@ py::class_<T> eos_class(py::module_ & m, std::string name) {
.def("InternalEnergyFromDensityTemperature", &two_params<T, &T::InternalEnergyFromDensityTemperature>, py::arg("rho"), py::arg("temperature"), py::arg("lmbda"))
.def("PressureFromDensityTemperature", &two_params<T, &T::PressureFromDensityTemperature>, py::arg("rho"), py::arg("temperature"), py::arg("lmbda"))
.def("PressureFromDensityInternalEnergy", &two_params<T, &T::PressureFromDensityInternalEnergy>, py::arg("rho"), py::arg("sie"), py::arg("lmbda"))
.def("EntropyFromDensityTemperature", &two_params<T, &T::EntropyFromDensityTemperature>, py::arg("rho"), py::arg("temperature"), py::arg("lmbda"))
.def("EntropyFromDensityInternalEnergy", &two_params<T, &T::EntropyFromDensityInternalEnergy>, py::arg("rho"), py::arg("sie"), py::arg("lmbda"))
.def("SpecificHeatFromDensityTemperature", &two_params<T, &T::SpecificHeatFromDensityTemperature>, py::arg("rho"), py::arg("temperature"), py::arg("lmbda"))
.def("SpecificHeatFromDensityInternalEnergy", &two_params<T, &T::SpecificHeatFromDensityInternalEnergy>, py::arg("rho"), py::arg("sie"), py::arg("lmbda"))
.def("BulkModulusFromDensityTemperature", &two_params<T, &T::BulkModulusFromDensityTemperature>, py::arg("rho"), py::arg("temperature"), py::arg("lmbda"))
Expand Down
14 changes: 14 additions & 0 deletions test/python_bindings.py
View file
Open in desktop
Original file line number Diff line number Diff line change
Expand Up @@ -275,13 +275,15 @@ def setUp(self):
# Gold standard values
self.pressure_true = np.array((2.0, 8.0, 30.0))
self.temperature_true = np.array((1., 2., 3.))
self.entropy_true = np.array((-13.516481508310815, -11.43703996663098, -11.242295889838465))
self.bulkmodulus_true = np.array((2.8, 11.2, 42.))
self.heatcapacity_true = np.array((Cv, Cv, Cv))
self.gruneisen_true = np.array((gm1, gm1, gm1))

# Create arrays for the outputs
self.temperature = np.zeros(self.num)
self.pressure = np.zeros(self.num)
self.entropy = np.zeros(self.num)
self.heatcapacity = np.zeros(self.num)
self.bulkmodulus = np.zeros(self.num)
self.gruneisen = np.zeros(self.num)
Expand All @@ -296,6 +298,11 @@ def test_pressure(self):
self.eos.PressureFromDensityInternalEnergy(self.density, self.energy, self.pressure, self.num)
assert_allclose(self.pressure, self.pressure_true, rtol=1e-12)

def test_entropy(self):
"""[Vector EOS][IdealGas][Energies and densities] A S(rho, e) lookup is performed"""
self.eos.EntropyFromDensityInternalEnergy(self.density, self.energy, self.entropy, self.num)
assert_allclose(self.entropy, self.entropy_true, rtol=1e-8)

def test_cv(self):
"""[Vector EOS][IdealGas][Energies and densities] A C_v(rho, e) lookup is performed"""
self.eos.SpecificHeatFromDensityInternalEnergy(self.density, self.energy, self.heatcapacity, self.num)
Expand Down Expand Up @@ -333,13 +340,15 @@ def setUp(self):
# Gold standard values
self.energy_true = np.array((250., 500., 750.))
self.pressure_true = np.array((100., 400., 1500.))
self.entropy_true = np.array((6.0436335188299175, 8.123075060509752, 8.317819137302264))
self.bulkmodulus_true = np.array((140., 560., 2100.))
self.heatcapacity_true = np.array((Cv, Cv, Cv))
self.gruneisen_true = np.array((gm1, gm1, gm1))

# Create arrays for the outputs
self.energy = np.zeros(self.num)
self.pressure = np.zeros(self.num)
self.entropy = np.zeros(self.num)
self.heatcapacity = np.zeros(self.num)
self.bulkmodulus = np.zeros(self.num)
self.gruneisen = np.zeros(self.num)
Expand All @@ -354,6 +363,11 @@ def test_pressure(self):
self.eos.PressureFromDensityTemperature(self.density, self.temperature, self.pressure, self.num)
assert_allclose(self.pressure, self.pressure_true, rtol=1e-12)

def test_entropy(self):
"""[Vector EOS][IdealGas][Densities and temperatures] A S(rho, T) lookup is performed"""
self.eos.EntropyFromDensityTemperature(self.density, self.temperature, self.entropy, self.num)
assert_allclose(self.entropy, self.entropy_true, rtol=1e-12)

def test_cv(self):
"""[Vector EOS][IdealGas][Densities and temperatures] A C_v(rho, T) lookup is performed"""
self.eos.SpecificHeatFromDensityTemperature(self.density, self.temperature, self.heatcapacity, self.num)
Expand Down
Loading