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Expose entropy to python api #300

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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
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1 change: 1 addition & 0 deletions CHANGELOG.md
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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
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1 change: 1 addition & 0 deletions python/module.cpp
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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)
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15 changes: 15 additions & 0 deletions python/module.hpp
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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
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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