From 4836c90ae637e6ab4482743763a61a814d6b3aa7 Mon Sep 17 00:00:00 2001 From: Ryan Thomas Wollaeger Date: Tue, 29 Oct 2024 17:07:36 -0600 Subject: [PATCH 01/13] Add Zhu dust+molecule+atom table opacity variant and example file. + Add ZhuTableOpacity photon class with Rosseland-Planck databox. + Assume log-log rho-T for DataBox interpolation. + Add ZhuTable variant to opac_photons.hpp. + Add unit test for ZhuTable variant. Notes: - See: Zhaohuan Zhu et al (2021). - The next step is to convert the Zhu ASCII into HDF5 format(s). --- singularity-opac/photons/opac_photons.hpp | 4 +- .../opacitysolar09dustq3p5amax0p1new.txt | 9801 +++++++++++++++++ .../zhu_grey_table_opacity_photons.hpp | 295 + test/CMakeLists.txt | 6 + test/test_zhu_grey_table_opacities.cpp | 78 + 5 files changed, 10183 insertions(+), 1 deletion(-) create mode 100644 singularity-opac/photons/zhu_data/opacitysolar09dustq3p5amax0p1new.txt create mode 100644 singularity-opac/photons/zhu_grey_table_opacity_photons.hpp create mode 100644 test/test_zhu_grey_table_opacities.cpp diff --git a/singularity-opac/photons/opac_photons.hpp b/singularity-opac/photons/opac_photons.hpp index 50918a5..1e36b13 100644 --- a/singularity-opac/photons/opac_photons.hpp +++ b/singularity-opac/photons/opac_photons.hpp @@ -17,6 +17,7 @@ #define SINGULARITY_OPAC_PHOTONS_OPAC_PHOTONS_ #include +#include #include #include #include @@ -33,9 +34,10 @@ using Gray = GrayOpacity; using PowerLawScaleFree = PowerLawOpacity; using PowerLaw = PowerLawOpacity; using EPBremss = EPBremsstrahlungOpacity; +using ZhuTable = ZhuTableOpacity; using Opacity = impl::Variant, + EPBremss, ZhuTable, NonCGSUnits, NonCGSUnits, NonCGSUnits>; } // namespace photons diff --git a/singularity-opac/photons/zhu_data/opacitysolar09dustq3p5amax0p1new.txt b/singularity-opac/photons/zhu_data/opacitysolar09dustq3p5amax0p1new.txt new file mode 100644 index 0000000..98d8fb4 --- /dev/null +++ b/singularity-opac/photons/zhu_data/opacitysolar09dustq3p5amax0p1new.txt @@ -0,0 +1,9801 @@ + rho 140 T 70 +1e-14 1.0 0.0030420184427588414 0.0024800576476981307 +1e-14 1.2589254117941673 0.005686046254543843 0.004233836003850953 +1e-14 1.5848931924611138 0.01053242667385939 0.006885326644578012 +1e-14 1.9952623149688804 0.019105594640716286 0.010715681391422918 +1e-14 2.5118864315095815 0.033455397448270544 0.016091286936369645 +1e-14 3.1622776601683817 0.05570242909924203 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Triad National Security, LLC. All rights reserved. This +// program was produced under U.S. Government contract +// 89233218CNA000001 for Los Alamos National Laboratory (LANL), which +// is operated by Triad National Security, LLC for the U.S. +// Department of Energy/National Nuclear Security Administration. All +// rights in the program are reserved by Triad National Security, LLC, +// and the U.S. Department of Energy/National Nuclear Security +// Administration. The Government is granted for itself and others +// acting on its behalf a nonexclusive, paid-up, irrevocable worldwide +// license in this material to reproduce, prepare derivative works, +// distribute copies to the public, perform publicly and display +// publicly, and to permit others to do so. +// ====================================================================== + +#ifndef SINGULARITY_OPAC_PHOTONS_ZHU_GREY_TABLE_OPACITY_PHOTONS_ +#define SINGULARITY_OPAC_PHOTONS_ZHU_GREY_TABLE_OPACITY_PHOTONS_ + +#include + +#include +#include + +namespace singularity { +namespace photons { + +#define EPS (10.0 * std::numeric_limits::min()) + +// Tables have grey opacity dust, molec +// See "Global 3D Radiation Hydrodynamic Simulations of Proto-Jupiter’s +// Convective EnvelopeConvective Envelope" by Zhaohuan Zhu et al (2021) + +// TODO: Should the Zhu repository be loaded as a submodule? +// NOTE: Tables are assumed to be log-log in rho-T + +// DataBox use is based on, e.g., photon/mean_s_opacity_photons.hpp +template +class ZhuTableOpacity { + public: + using PC = pc; + using DataBox = Spiner::DataBox; + + ZhuTableOpacity() = default; + + // construct Planck/Rosseland DataBox from Zhu ascii file + ZhuTableOpacity(const int amax, const bool use_planck_absorb = false) + : opac_type_(use_planck_absorb) { + + // TODO: replace this parsing with DataBox HDF loadHDF (requires pre-process of ASCII data) + + // select file based on dust grain size index + std::string filename = "no_file"; + switch(amax) { + case -1: + filename = "opacitysolar09dustq3p5amax0p1new.txt"; + break; + case -3: + filename = "opacitysolar09dustq3p5amax0p001new.txt"; + break; + case 0: + filename = "opacitysolar09dustq3p5amax1new.txt"; + break; + case 10: + filename = "opacitysolar09dustq3p5amax10new.txt"; + break; + default: + OPAC_ERROR("photons::ZhuTableOpacity: unrecognized amax ctor value."); + } + + // get number of density and temperature points + std::ifstream ff(filename.c_str()); + const bool fexists = ff.good(); + + int NRho = -1; + int NT = -1; + if (fexists) { + + // line read from file + std::string fline; + + // read 1-line header to get sizes + std::getline(ff, fline); + + // tokenize fline + char* cfline = const_cast(fline.c_str()); + char* fl_tok = std::strtok(cfline, " "); + + // move to next token to get number of density points + fl_tok = std::strtok(nullptr, " "); + NRho = std::stoi(fl_tok); + + // move to next token to get number of density points + fl_tok = std::strtok(nullptr, " "); + fl_tok = std::strtok(nullptr, " "); + NT = std::stoi(fl_tok); + + // reseize the Planck and Rosseland databoxes (number of types of opac=2) + kappa_.resize(NRho, NT, 2); + + // set rho-T rankges (Zhu tables are uniform in log-log rho-T space) + const Real lTMin = toLog_(1.0); + const Real lTMax = toLog_(7943282.347242886); + const Real lRhoMin = toLog_(1.0e-14); + const Real lRhoMax = toLog_(0.7943282347241912); + kappa_.setRange(1, lTMin, lTMax, NT); + kappa_.setRange(2, lRhoMin, lRhoMax, NRho); + + // fill tables + for (int iRho = 0; iRho < NRho; ++iRho) { + const Real lRho_i = kappa_.range(2).x(iRho); + for (int iT = 0; iT < NT; ++iT) { + + // get new file-line + std::getline(ff, fline); + cfline = const_cast(fline.c_str()); + fl_tok = std::strtok(cfline, " "); + + // check for consistent density [g/cm^3] on table row + const Real Rho = std::stod(fl_tok); + if (std::abs(Rho - fromLog_(lRho_i)) > 1e-6 * std::abs(Rho)) { + OPAC_ERROR("photons::ZhuTableOpacity: invalid rho"); + } + + // check for consistent temperature [K] on table row + const Real lT_i = kappa_.range(1).x(iT); + fl_tok = std::strtok(nullptr, " "); + const Real T = std::stod(fl_tok); + if (std::abs(T - fromLog_(lT_i)) > 1e-6 * std::abs(T)) { + OPAC_ERROR("photons::ZhuTableOpacity: invalid T"); + } + + // populate Rosseland opacity [cm^2/g] + fl_tok = std::strtok(nullptr, " "); + kappa_(iRho, iT, 0) = std::stod(fl_tok); + + // populate Planck opacity [cm^2/g] + fl_tok = std::strtok(nullptr, " "); + kappa_(iRho, iT, 1) = std::stod(fl_tok); + } + } + + } else { + OPAC_ERROR("photons::ZhuTableOpacity: file does not exist"); + } + } + + ZhuTableOpacity GetOnDevice() { return *this; } + inline void Finalize() noexcept {} + + PORTABLE_INLINE_FUNCTION + Real AbsorptionCoefficient(const Real rho, const Real temp, const Real nu, + Real *lambda = nullptr) const { + return dist_.AbsorptionCoefficientFromKirkhoff(*this, rho, temp, nu, + lambda); + } + + template + PORTABLE_INLINE_FUNCTION void + AbsorptionCoefficient(const Real rho, const Real temp, + FrequencyIndexer &nu_bins, DataIndexer &coeffs, + const int nbins, Real *lambda = nullptr) const { + for (int i = 0; i < nbins; ++i) { + coeffs[i] = AbsorptionCoefficient(rho, temp, nu_bins[i], lambda); + } + } + + PORTABLE_INLINE_FUNCTION + Real AngleAveragedAbsorptionCoefficient(const Real rho, const Real temp, + const Real nu, + Real *lambda = nullptr) const { + return dist_.AngleAveragedAbsorptionCoefficientFromKirkhoff( + *this, rho, temp, nu, lambda); + } + + template + PORTABLE_INLINE_FUNCTION void AngleAveragedAbsorptionCoefficient( + const Real rho, const Real temp, FrequencyIndexer &nu_bins, + DataIndexer &coeffs, const int nbins, Real *lambda = nullptr) const { + for (int i = 0; i < nbins; ++i) { + coeffs[i] = + AngleAveragedAbsorptionCoefficient(rho, temp, nu_bins[i], lambda); + } + } + + PORTABLE_INLINE_FUNCTION + Real EmissivityPerNuOmega(const Real rho, const Real temp, const Real nu, + Real *lambda = nullptr) const { + const Real lRho = toLog_(rho); + const Real lT = toLog_(temp); + const Real Bnu = dist_.ThermalDistributionOfTNu(temp, nu, lambda); + return rho * kappa_.interpToReal(lRho, lT, opac_type_) * Bnu; + } + + template + PORTABLE_INLINE_FUNCTION void + EmissivityPerNuOmega(const Real rho, const Real temp, + FrequencyIndexer &nu_bins, DataIndexer &coeffs, + const int nbins, Real *lambda = nullptr) const { + for (int i = 0; i < nbins; ++i) { + coeffs[i] = EmissivityPerNuOmega(rho, temp, nu_bins[i], lambda); + } + } + + PORTABLE_INLINE_FUNCTION + Real EmissivityPerNu(const Real rho, const Real temp, const Real nu, + Real *lambda = nullptr) const { + return 4 * M_PI * EmissivityPerNuOmega(rho, temp, nu, lambda); + } + + template + PORTABLE_INLINE_FUNCTION void + EmissivityPerNu(const Real rho, const Real temp, FrequencyIndexer &nu_bins, + DataIndexer &coeffs, const int nbins, + Real *lambda = nullptr) const { + for (int i = 0; i < nbins; ++i) { + coeffs[i] = EmissivityPerNu(rho, temp, nu_bins[i], lambda); + } + } + + PORTABLE_INLINE_FUNCTION + Real Emissivity(const Real rho, const Real temp, + Real *lambda = nullptr) const { + const Real lRho = toLog_(rho); + const Real lT = toLog_(temp); + const Real B = dist_.ThermalDistributionOfT(temp, lambda); + return rho * kappa_.interpToReal(lRho, lT, opac_type_) * B; + } + + PORTABLE_INLINE_FUNCTION + Real NumberEmissivity(const Real rho, const Real temp, + Real *lambda = nullptr) const { + const Real lRho = toLog_(rho); + const Real lT = toLog_(temp); + return kappa_.interpToReal(lRho, lT, opac_type_) * dist_.ThermalNumberDistributionOfT(temp, lambda); + } + + PORTABLE_INLINE_FUNCTION + Real ThermalDistributionOfTNu(const Real temp, const Real nu, + Real *lambda = nullptr) const { + return dist_.ThermalDistributionOfTNu(temp, nu, lambda); + } + + PORTABLE_INLINE_FUNCTION + Real DThermalDistributionOfTNuDT(const Real temp, const Real nu, + Real *lambda = nullptr) const { + return dist_.DThermalDistributionOfTNuDT(temp, nu, lambda); + } + + PORTABLE_INLINE_FUNCTION + Real ThermalDistributionOfT(const Real temp, Real *lambda = nullptr) const { + return dist_.ThermalDistributionOfT(temp, lambda); + } + + PORTABLE_INLINE_FUNCTION Real + ThermalNumberDistributionOfT(const Real temp, Real *lambda = nullptr) const { + return dist_.ThermalNumberDistributionOfT(temp, lambda); + } + + PORTABLE_INLINE_FUNCTION + Real EnergyDensityFromTemperature(const Real temp, + Real *lambda = nullptr) const { + return dist_.EnergyDensityFromTemperature(temp, lambda); + } + + PORTABLE_INLINE_FUNCTION + Real TemperatureFromEnergyDensity(const Real er, + Real *lambda = nullptr) const { + return dist_.TemperatureFromEnergyDensity(er, lambda); + } + + PORTABLE_INLINE_FUNCTION + Real NumberDensityFromTemperature(const Real temp, + Real *lambda = nullptr) const { + return dist_.NumberDensityFromTemperature(temp, lambda); + } + + private: + // stolen from mean_s_opacity_photons.hpp + PORTABLE_INLINE_FUNCTION Real toLog_(const Real x) const { + return std::log10(std::abs(x) + EPS); + } + PORTABLE_INLINE_FUNCTION Real fromLog_(const Real lx) const { + return std::pow(10., lx); + } + + // WARNING: which only one of the two possibilities can be used for now + int opac_type_; + PlanckDistribution dist_; + DataBox kappa_; +}; + +} // namespace photons +} // namespace singularity + +#endif // SINGULARITY_OPAC_PHOTONS_ZHU_GREY_TABLE_OPACITY_PHOTONS_ diff --git a/test/CMakeLists.txt b/test/CMakeLists.txt index 21be197..c8c0463 100644 --- a/test/CMakeLists.txt +++ b/test/CMakeLists.txt @@ -48,8 +48,14 @@ PRIVATE test_spiner_opac_neutrinos.cpp test_mean_opacities.cpp test_variant.cpp + test_zhu_grey_table_opacities.cpp ) +# Link data file directory for Zhu table test +file(CREATE_LINK + ${CMAKE_SOURCE_DIR}/singularity-opac/photons/zhu_data/opacitysolar09dustq3p5amax0p1new.txt + ${CMAKE_CURRENT_BINARY_DIR}/opacitysolar09dustq3p5amax0p1new.txt SYMBOLIC) + target_link_libraries(${PROJECT_NAME}_unit_tests PRIVATE catch2_define diff --git a/test/test_zhu_grey_table_opacities.cpp b/test/test_zhu_grey_table_opacities.cpp new file mode 100644 index 0000000..9ea55ad --- /dev/null +++ b/test/test_zhu_grey_table_opacities.cpp @@ -0,0 +1,78 @@ +// ====================================================================== +// © 2021-2024. Triad National Security, LLC. All rights reserved. This +// program was produced under U.S. Government contract +// 89233218CNA000001 for Los Alamos National Laboratory (LANL), which +// is operated by Triad National Security, LLC for the U.S. +// Department of Energy/National Nuclear Security Administration. All +// rights in the program are reserved by Triad National Security, LLC, +// and the U.S. Department of Energy/National Nuclear Security +// Administration. The Government is granted for itself and others +// acting on its behalf a nonexclusive, paid-up, irrevocable worldwide +// license in this material to reproduce, prepare derivative works, +// distribute copies to the public, perform publicly and display +// publicly, and to permit others to do so. +// ====================================================================== + +#include +#include + +#include + +#include + +using namespace singularity; + +using pc = PhysicalConstantsCGS; +using DataBox = Spiner::DataBox; + +#ifdef PORTABILITY_STRATEGY_KOKKOS +using atomic_view = Kokkos::MemoryTraits; +#endif + +template +PORTABLE_INLINE_FUNCTION T FractionalDifference(const T &a, const T &b) { + return 2 * std::abs(b - a) / (std::abs(a) + std::abs(b) + 1e-20); +} +constexpr Real EPS_TEST = 1e-6; + +TEST_CASE("Zhu table photon opacities", "[GrayPhotons]") { + WHEN("We initialize a gray Zhu tabular photon opacity") { + + // values are directly copied from parsed table for a_grain=-1 + constexpr int a_grain = -1; + constexpr Real rho_min = 1e-14; // g/cc. + constexpr Real temp_min = 1.0; // Kelvin. + constexpr Real ross_at_min = 0.0030420184427588414; // cm^2/g + constexpr Real rho_max = 0.7943282347241912; // g/cc. + constexpr Real temp_max = 7943282.347242886; // Kelvin. + constexpr Real ross_at_max = 0.7075511374620657; // cm^2/g + + constexpr Real nu = 3e9; // Hz. UHF microwave + + photons::Opacity opac_host = photons::ZhuTable(a_grain); + photons::Opacity opac = opac_host.GetOnDevice(); + + // Check constants from mean opacity + THEN("Check constants from mean opacity for consistency") { + + // set test value + Real mross = opac.AbsorptionCoefficient(rho_min, temp_min, nu); + + // check min rho-T point + int n_wrong = 0; + if (FractionalDifference(rho_min * ross_at_min, mross) > EPS_TEST) { + n_wrong += 1; + } + + // reset value and check max rho-T point + mross = opac.AbsorptionCoefficient(rho_max, temp_max, nu); + if (FractionalDifference(rho_max * ross_at_max, mross) > EPS_TEST) { + n_wrong += 1; + } + + REQUIRE(n_wrong == 0); + } + + opac.Finalize(); + } +} From 61cf90f13ef54998fba27bcd9f2c78037a69329e Mon Sep 17 00:00:00 2001 From: Ryan Thomas Wollaeger Date: Tue, 29 Oct 2024 18:36:53 -0600 Subject: [PATCH 02/13] Add option to parse HDF5 data in ZhuTable opacity constructor. + Use filesystem header to check extention in ctor. + Refactor old ASCII parser to a private function (called if .txt). + Add ZhuTable::Save method and use to add HDF5 file. + Update unit test to parse HDF5 data instead. 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+#include #include #include @@ -43,100 +44,28 @@ class ZhuTableOpacity { ZhuTableOpacity() = default; // construct Planck/Rosseland DataBox from Zhu ascii file - ZhuTableOpacity(const int amax, const bool use_planck_absorb = false) + ZhuTableOpacity(const std::string filename, const bool use_planck_absorb = false) : opac_type_(use_planck_absorb) { - // TODO: replace this parsing with DataBox HDF loadHDF (requires pre-process of ASCII data) - - // select file based on dust grain size index - std::string filename = "no_file"; - switch(amax) { - case -1: - filename = "opacitysolar09dustq3p5amax0p1new.txt"; - break; - case -3: - filename = "opacitysolar09dustq3p5amax0p001new.txt"; - break; - case 0: - filename = "opacitysolar09dustq3p5amax1new.txt"; - break; - case 10: - filename = "opacitysolar09dustq3p5amax10new.txt"; - break; - default: - OPAC_ERROR("photons::ZhuTableOpacity: unrecognized amax ctor value."); - } - // get number of density and temperature points std::ifstream ff(filename.c_str()); const bool fexists = ff.good(); - int NRho = -1; - int NT = -1; if (fexists) { - // line read from file - std::string fline; - - // read 1-line header to get sizes - std::getline(ff, fline); - - // tokenize fline - char* cfline = const_cast(fline.c_str()); - char* fl_tok = std::strtok(cfline, " "); - - // move to next token to get number of density points - fl_tok = std::strtok(nullptr, " "); - NRho = std::stoi(fl_tok); - - // move to next token to get number of density points - fl_tok = std::strtok(nullptr, " "); - fl_tok = std::strtok(nullptr, " "); - NT = std::stoi(fl_tok); - - // reseize the Planck and Rosseland databoxes (number of types of opac=2) - kappa_.resize(NRho, NT, 2); - - // set rho-T rankges (Zhu tables are uniform in log-log rho-T space) - const Real lTMin = toLog_(1.0); - const Real lTMax = toLog_(7943282.347242886); - const Real lRhoMin = toLog_(1.0e-14); - const Real lRhoMax = toLog_(0.7943282347241912); - kappa_.setRange(1, lTMin, lTMax, NT); - kappa_.setRange(2, lRhoMin, lRhoMax, NRho); - - // fill tables - for (int iRho = 0; iRho < NRho; ++iRho) { - const Real lRho_i = kappa_.range(2).x(iRho); - for (int iT = 0; iT < NT; ++iT) { - - // get new file-line - std::getline(ff, fline); - cfline = const_cast(fline.c_str()); - fl_tok = std::strtok(cfline, " "); - - // check for consistent density [g/cm^3] on table row - const Real Rho = std::stod(fl_tok); - if (std::abs(Rho - fromLog_(lRho_i)) > 1e-6 * std::abs(Rho)) { - OPAC_ERROR("photons::ZhuTableOpacity: invalid rho"); - } - - // check for consistent temperature [K] on table row - const Real lT_i = kappa_.range(1).x(iT); - fl_tok = std::strtok(nullptr, " "); - const Real T = std::stod(fl_tok); - if (std::abs(T - fromLog_(lT_i)) > 1e-6 * std::abs(T)) { - OPAC_ERROR("photons::ZhuTableOpacity: invalid T"); - } - - // populate Rosseland opacity [cm^2/g] - fl_tok = std::strtok(nullptr, " "); - kappa_(iRho, iT, 0) = std::stod(fl_tok); - - // populate Planck opacity [cm^2/g] - fl_tok = std::strtok(nullptr, " "); - kappa_(iRho, iT, 1) = std::stod(fl_tok); - } + std::filesystem::path filePath(filename); + std::string extension = filePath.extension().string(); + + if (extension == ".txt") { + // assume this is one of the original Zhu et al (2021) ASCII files + loadZhuASCII(ff); +#ifdef SPINER_USE_HDF + } else if (extension == ".hdf5" || extension == ".h5") { + hid_t file = H5Fopen(filename.c_str(), H5F_ACC_RDONLY, H5P_DEFAULT); + kappa_.loadHDF(file, "Zhu Table"); +#endif + } else { + OPAC_ERROR("photons::ZhuTableOpacity: unrecognized file extension"); } } else { @@ -144,6 +73,20 @@ class ZhuTableOpacity { } } +#ifdef SPINER_USE_HDF + void Save(const std::string &filename) const { + herr_t status = H5_SUCCESS; + hid_t file = + H5Fcreate(filename.c_str(), H5F_ACC_TRUNC, H5P_DEFAULT, H5P_DEFAULT); + status += kappa_.saveHDF(file, "Zhu Table"); + status += H5Fclose(file); + + if (status != H5_SUCCESS) { + OPAC_ERROR("photons::ZhuTableOpacity: HDF5 error\n"); + } + } +#endif + ZhuTableOpacity GetOnDevice() { return *this; } inline void Finalize() noexcept {} @@ -283,6 +226,77 @@ class ZhuTableOpacity { return std::pow(10., lx); } + // if .txt file, assume it is the original Zhu dust opacity file + void loadZhuASCII(std::ifstream &ff) { + + int NRho = -1; + int NT = -1; + + // line read from file + std::string fline; + + // read 1-line header to get sizes + std::getline(ff, fline); + + // tokenize fline + char* cfline = const_cast(fline.c_str()); + char* fl_tok = std::strtok(cfline, " "); + + // move to next token to get number of density points + fl_tok = std::strtok(nullptr, " "); + NRho = std::stoi(fl_tok); + + // move to next token to get number of density points + fl_tok = std::strtok(nullptr, " "); + fl_tok = std::strtok(nullptr, " "); + NT = std::stoi(fl_tok); + + // reseize the Planck and Rosseland databoxes (number of types of opac=2) + kappa_.resize(NRho, NT, 2); + + // set rho-T rankges (Zhu tables are uniform in log-log rho-T space) + const Real lTMin = toLog_(1.0); + const Real lTMax = toLog_(7943282.347242886); + const Real lRhoMin = toLog_(1.0e-14); + const Real lRhoMax = toLog_(0.7943282347241912); + kappa_.setRange(1, lTMin, lTMax, NT); + kappa_.setRange(2, lRhoMin, lRhoMax, NRho); + + // fill tables + for (int iRho = 0; iRho < NRho; ++iRho) { + const Real lRho_i = kappa_.range(2).x(iRho); + for (int iT = 0; iT < NT; ++iT) { + + // get new file-line + std::getline(ff, fline); + cfline = const_cast(fline.c_str()); + fl_tok = std::strtok(cfline, " "); + + // check for consistent density [g/cm^3] on table row + const Real Rho = std::stod(fl_tok); + if (std::abs(Rho - fromLog_(lRho_i)) > 1e-6 * std::abs(Rho)) { + OPAC_ERROR("photons::ZhuTableOpacity: invalid rho"); + } + + // check for consistent temperature [K] on table row + const Real lT_i = kappa_.range(1).x(iT); + fl_tok = std::strtok(nullptr, " "); + const Real T = std::stod(fl_tok); + if (std::abs(T - fromLog_(lT_i)) > 1e-6 * std::abs(T)) { + OPAC_ERROR("photons::ZhuTableOpacity: invalid T"); + } + + // populate Rosseland opacity [cm^2/g] + fl_tok = std::strtok(nullptr, " "); + kappa_(iRho, iT, 0) = std::stod(fl_tok); + + // populate Planck opacity [cm^2/g] + fl_tok = std::strtok(nullptr, " "); + kappa_(iRho, iT, 1) = std::stod(fl_tok); + } + } + } + // WARNING: which only one of the two possibilities can be used for now int opac_type_; PlanckDistribution dist_; diff --git a/test/CMakeLists.txt b/test/CMakeLists.txt index c8c0463..2860324 100644 --- a/test/CMakeLists.txt +++ b/test/CMakeLists.txt @@ -55,6 +55,9 @@ PRIVATE file(CREATE_LINK ${CMAKE_SOURCE_DIR}/singularity-opac/photons/zhu_data/opacitysolar09dustq3p5amax0p1new.txt ${CMAKE_CURRENT_BINARY_DIR}/opacitysolar09dustq3p5amax0p1new.txt SYMBOLIC) +file(CREATE_LINK + ${CMAKE_SOURCE_DIR}/singularity-opac/photons/zhu_data/opacitysolar09dustq3p5amax0p1new.hdf5 + ${CMAKE_CURRENT_BINARY_DIR}/opacitysolar09dustq3p5amax0p1new.hdf5 SYMBOLIC) target_link_libraries(${PROJECT_NAME}_unit_tests PRIVATE diff --git a/test/test_zhu_grey_table_opacities.cpp b/test/test_zhu_grey_table_opacities.cpp index 9ea55ad..93704ff 100644 --- a/test/test_zhu_grey_table_opacities.cpp +++ b/test/test_zhu_grey_table_opacities.cpp @@ -39,7 +39,8 @@ TEST_CASE("Zhu table photon opacities", "[GrayPhotons]") { WHEN("We initialize a gray Zhu tabular photon opacity") { // values are directly copied from parsed table for a_grain=-1 - constexpr int a_grain = -1; + const std::string fbase = "opacitysolar09dustq3p5amax0p1new"; + const std::string fname = fbase + ".hdf5"; constexpr Real rho_min = 1e-14; // g/cc. constexpr Real temp_min = 1.0; // Kelvin. constexpr Real ross_at_min = 0.0030420184427588414; // cm^2/g @@ -49,7 +50,8 @@ TEST_CASE("Zhu table photon opacities", "[GrayPhotons]") { constexpr Real nu = 3e9; // Hz. UHF microwave - photons::Opacity opac_host = photons::ZhuTable(a_grain); + // not all opacities have a save method, so not using variant for host here + photons::ZhuTable opac_host = photons::ZhuTable(fname); photons::Opacity opac = opac_host.GetOnDevice(); // Check constants from mean opacity @@ -73,6 +75,11 @@ TEST_CASE("Zhu table photon opacities", "[GrayPhotons]") { REQUIRE(n_wrong == 0); } + // uncomment this save method to creat hdf5 file from ZhuTable DataBox + // const std::string hdfname = fbase + ".hdf5"; + // opac_host.Save(hdfname); + + // finished opac.Finalize(); } } From d57db67b76a29ec2a29605ea20d7c63a45fabeb2 Mon Sep 17 00:00:00 2001 From: Ryan Thomas Wollaeger Date: Fri, 1 Nov 2024 16:33:21 -0600 Subject: [PATCH 03/13] Update singularity-opac/photons/zhu_grey_table_opacity_photons.hpp Co-authored-by: Jonah Miller --- singularity-opac/photons/zhu_grey_table_opacity_photons.hpp | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/singularity-opac/photons/zhu_grey_table_opacity_photons.hpp b/singularity-opac/photons/zhu_grey_table_opacity_photons.hpp index 3afc81f..db05cc5 100644 --- a/singularity-opac/photons/zhu_grey_table_opacity_photons.hpp +++ b/singularity-opac/photons/zhu_grey_table_opacity_photons.hpp @@ -43,7 +43,7 @@ class ZhuTableOpacity { ZhuTableOpacity() = default; - // construct Planck/Rosseland DataBox from Zhu ascii file + // construct Planck/Rosseland DataBox from Zhu ascii or spiner hdf5 file ZhuTableOpacity(const std::string filename, const bool use_planck_absorb = false) : opac_type_(use_planck_absorb) { From cd895cab1ad5a527102b54d7ea22da85dbb0afb5 Mon Sep 17 00:00:00 2001 From: Ryan Thomas Wollaeger Date: Fri, 1 Nov 2024 16:34:22 -0600 Subject: [PATCH 04/13] Add another valid HDF5 extension (thanks JMM). Co-authored-by: Jonah Miller --- singularity-opac/photons/zhu_grey_table_opacity_photons.hpp | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/singularity-opac/photons/zhu_grey_table_opacity_photons.hpp b/singularity-opac/photons/zhu_grey_table_opacity_photons.hpp index db05cc5..b1c5a51 100644 --- a/singularity-opac/photons/zhu_grey_table_opacity_photons.hpp +++ b/singularity-opac/photons/zhu_grey_table_opacity_photons.hpp @@ -60,7 +60,7 @@ class ZhuTableOpacity { // assume this is one of the original Zhu et al (2021) ASCII files loadZhuASCII(ff); #ifdef SPINER_USE_HDF - } else if (extension == ".hdf5" || extension == ".h5") { + } else if (extension == ".hdf5" || extension == ".h5" || extension == ".sp5") { hid_t file = H5Fopen(filename.c_str(), H5F_ACC_RDONLY, H5P_DEFAULT); kappa_.loadHDF(file, "Zhu Table"); #endif From e8acf30a9c28d19b9586de79e29bbe8afefe253c Mon Sep 17 00:00:00 2001 From: Ryan Thomas Wollaeger Date: Tue, 19 Nov 2024 14:54:56 -0700 Subject: [PATCH 05/13] Put Zhu ASCII parsing into mean_opacity_photons (BRR suggestion). + Remove Zhu grey table class and unit test. + Replace Zhu data table with toy power-law data table. + Generalize file-based ctor to take ASCII or HDF5 file. + Add sub-test for parsing toy power-law data into MeanOpacity. --- .../example_ascii/create_mean_opac_ascii.py | 56 + .../photons/example_ascii/kap_plaw.txt | 17 + .../photons/mean_opacity_photons.hpp | 124 +- .../opacitysolar09dustq3p5amax0p1new.hdf5 | Bin 161688 -> 0 bytes .../opacitysolar09dustq3p5amax0p1new.txt | 9801 ----------------- .../zhu_grey_table_opacity_photons.hpp | 309 - test/CMakeLists.txt | 8 +- test/test_mean_opacities.cpp | 59 + test/test_zhu_grey_table_opacities.cpp | 85 - 9 files changed, 249 insertions(+), 10210 deletions(-) create mode 100644 singularity-opac/photons/example_ascii/create_mean_opac_ascii.py create mode 100644 singularity-opac/photons/example_ascii/kap_plaw.txt delete mode 100644 singularity-opac/photons/zhu_data/opacitysolar09dustq3p5amax0p1new.hdf5 delete mode 100644 singularity-opac/photons/zhu_data/opacitysolar09dustq3p5amax0p1new.txt delete mode 100644 singularity-opac/photons/zhu_grey_table_opacity_photons.hpp delete mode 100644 test/test_zhu_grey_table_opacities.cpp diff --git a/singularity-opac/photons/example_ascii/create_mean_opac_ascii.py b/singularity-opac/photons/example_ascii/create_mean_opac_ascii.py new file mode 100644 index 0000000..370bdbd --- /dev/null +++ b/singularity-opac/photons/example_ascii/create_mean_opac_ascii.py @@ -0,0 +1,56 @@ +#--------------------------------------------------------------------------------------------------# +# This script defaults to using the temperature and density bounds for opacity data found +# in Zhaohuan Zhu et al (2021), "Global 3D Radiation Hydrodynamic Simulations of Proto-Jupiter’s +# Convective EnvelopeConvective Envelope". Otherwise, it merely generates a power law for Rosseland +# and Planck-averaged opacities, and produces a table in an ASCII format equivalent to that of Zhu. +#--------------------------------------------------------------------------------------------------# +import numpy as np +import argparse + +#-- parse command line arguments +parser = argparse.ArgumentParser(description="Create power-law grey opacity ASCII table (for testing).") +parser.add_argument("fname", type=str, help="base opacity file name to create (.txt is appended).") +parser.add_argument("--Nrho", type=int, default=4, help="Number of density points (assumes log space)") +parser.add_argument("--rho", type=float, nargs=2, default=[1e-14, 0.7943282347241912], + help="min, max densities [g/cc]") +parser.add_argument("--NT", type=int, default=4, help="Number of temperature points (assumes log space)") +parser.add_argument("--T", type=float, nargs=2, default=[1.0, 7943282.347242886], + help="min, max temperatures [K]") +parser.add_argument("--rho_ref", type=float, default=1e-6, help="Reference density [g/cc]") +parser.add_argument("--rho_exp", type=float, default=0.0, help="Exponent of density / ref. density") +parser.add_argument("--T_ref", type=float, default=11604, help="Reference density [K]") +parser.add_argument("--T_exp", type=float, default=0.0, help="Exponent of temperature / ref. temperature") +parser.add_argument("--Pkap_coef", type=float, default=0.01, help="Planck opacity coefficient [cm^2/g]") +parser.add_argument("--Rkap_coef", type=float, default=0.01, help="Rosseland opacity coefficient [cm^2/g]") +args = parser.parse_args() + +#-- implement simple power law +def power_law_kappa(r, t): + '''power_law_kappa (cgs): r=density (1st arg), t=temperature (2nd arg)''' + kap_coef = [args.Rkap_coef, args.Pkap_coef] + kap_pwrs = (r / args.rho_ref)**(args.rho_exp) * (t / args.T_ref)**(args.T_exp) + return [kapc * kap_pwrs for kapc in kap_coef] + +#-- set rho and T arrays +rho = np.logspace(np.log10(args.rho[0]), np.log10(args.rho[1]), args.Nrho) +T = np.logspace(np.log10(args.T[0]), np.log10(args.T[1]), args.NT) + +#-- initialize the opacity array - columns: density, temperature, Rosseland, Planck +Nrow = args.Nrho * args.NT +opac = np.zeros((Nrow, 4)) + +#-- populate opacity array +for i in range(args.Nrho): + for j in range(args.NT): + k = j + args.NT * i + opac[k,0] = rho[i] + opac[k,1] = T[j] + opac[k,2:] = power_law_kappa(rho[i], T[j]) + +#-- save opacity array +np.savetxt(args.fname+'.txt', opac, delimiter=" ", + header="rho "+str(args.Nrho)+" T "+str(args.NT), comments=" ", fmt="%.8e") + +#--------------------------------------------------------------------------------------------------# +# End of create_mean_opac_ascii.py +#--------------------------------------------------------------------------------------------------# diff --git a/singularity-opac/photons/example_ascii/kap_plaw.txt b/singularity-opac/photons/example_ascii/kap_plaw.txt new file mode 100644 index 0000000..28c41b3 --- /dev/null +++ b/singularity-opac/photons/example_ascii/kap_plaw.txt @@ -0,0 +1,17 @@ + rho 4 T 4 +1.00000000e-14 1.00000000e+00 1.00000000e-03 1.00000000e-01 +1.00000000e-14 1.99526231e+02 1.00000000e-03 1.00000000e-01 +1.00000000e-14 3.98107171e+04 1.00000000e-03 1.00000000e-01 +1.00000000e-14 7.94328235e+06 1.00000000e-03 1.00000000e-01 +4.29866235e-10 1.00000000e+00 1.00000000e-03 1.00000000e-01 +4.29866235e-10 1.99526231e+02 1.00000000e-03 1.00000000e-01 +4.29866235e-10 3.98107171e+04 1.00000000e-03 1.00000000e-01 +4.29866235e-10 7.94328235e+06 1.00000000e-03 1.00000000e-01 +1.84784980e-05 1.00000000e+00 1.00000000e-03 1.00000000e-01 +1.84784980e-05 1.99526231e+02 1.00000000e-03 1.00000000e-01 +1.84784980e-05 3.98107171e+04 1.00000000e-03 1.00000000e-01 +1.84784980e-05 7.94328235e+06 1.00000000e-03 1.00000000e-01 +7.94328235e-01 1.00000000e+00 1.00000000e-03 1.00000000e-01 +7.94328235e-01 1.99526231e+02 1.00000000e-03 1.00000000e-01 +7.94328235e-01 3.98107171e+04 1.00000000e-03 1.00000000e-01 +7.94328235e-01 7.94328235e+06 1.00000000e-03 1.00000000e-01 diff --git a/singularity-opac/photons/mean_opacity_photons.hpp b/singularity-opac/photons/mean_opacity_photons.hpp index d4ac76b..a69882d 100644 --- a/singularity-opac/photons/mean_opacity_photons.hpp +++ b/singularity-opac/photons/mean_opacity_photons.hpp @@ -17,6 +17,8 @@ #define SINGULARITY_OPAC_PHOTONS_MEAN_OPACITY_PHOTONS_ #include +#include +#include #include #include @@ -57,20 +59,44 @@ class MeanOpacity { NT, lNuMin, lNuMax, NNu, lambda); } + // construct Planck/Rosseland DataBox from Zhu-formatted ascii file + MeanOpacity(const std::string &filename) : filename_(filename.c_str()) { + + // get number of density and temperature points + std::ifstream ff(filename.c_str()); + const bool fexists = ff.good(); + + if (fexists) { + + std::filesystem::path filePath(filename); + std::string extension = filePath.extension().string(); + + if (extension == ".txt") { + // assume this is one of the original Zhu et al (2021) ASCII files + loadZhuASCII(ff); #ifdef SPINER_USE_HDF - MeanOpacity(const std::string &filename) : filename_(filename.c_str()) { - herr_t status = H5_SUCCESS; - hid_t file = H5Fopen(filename.c_str(), H5F_ACC_RDONLY, H5P_DEFAULT); - status += lkappaPlanck_.loadHDF(file, SP5::MeanOpac::PlanckMeanOpacity); - status += - lkappaRosseland_.loadHDF(file, SP5::MeanOpac::RosselandMeanOpacity); - status += H5Fclose(file); + } else if (extension == ".hdf5" || extension == ".h5" || extension == ".sp5") { + herr_t status = H5_SUCCESS; + hid_t file = H5Fopen(filename.c_str(), H5F_ACC_RDONLY, H5P_DEFAULT); + status += lkappaPlanck_.loadHDF(file, SP5::MeanOpac::PlanckMeanOpacity); + status += + lkappaRosseland_.loadHDF(file, SP5::MeanOpac::RosselandMeanOpacity); + status += H5Fclose(file); - if (status != H5_SUCCESS) { - OPAC_ERROR("photons::MeanOpacity: HDF5 error\n"); + if (status != H5_SUCCESS) { + OPAC_ERROR("photons::MeanOpacity: HDF5 error\n"); + } +#endif + } else { + OPAC_ERROR("photons::MeanOpacity: unrecognized file extension"); + } + + } else { + OPAC_ERROR("photons::MeanOpacity: file does not exist"); } } +#ifdef SPINER_USE_HDF void Save(const std::string &filename) const { herr_t status = H5_SUCCESS; hid_t file = @@ -181,6 +207,86 @@ class MeanOpacity { } } } + + // if .txt file, assume it is the original Zhu dust opacity file + void loadZhuASCII(std::ifstream &ff) { + + int NRho = -1; + int NT = -1; + + // line read from file + std::string fline; + + // read 1-line header to get sizes + std::getline(ff, fline); + + // tokenize fline + char* cfline = const_cast(fline.c_str()); + char* fl_tok = std::strtok(cfline, " "); + + // move to next token to get number of density points + fl_tok = std::strtok(nullptr, " "); + NRho = std::stoi(fl_tok); + + // move to next token to get number of density points + fl_tok = std::strtok(nullptr, " "); + fl_tok = std::strtok(nullptr, " "); + NT = std::stoi(fl_tok); + + // reseize the Planck and Rosseland databoxes (number of types of opac=2) + lkappaRosseland_.resize(NRho, NT); + lkappaPlanck_.resize(NRho, NT); + + // set rho-T rankges (Zhu tables are uniform in log-log rho-T space) + const Real lTMin = toLog_(1.0); + const Real lTMax = toLog_(7943282.347242886); + const Real lRhoMin = toLog_(1.0e-14); + const Real lRhoMax = toLog_(0.7943282347241912); + lkappaRosseland_.setRange(1, lTMin, lTMax, NT); + lkappaRosseland_.setRange(2, lRhoMin, lRhoMax, NRho); + lkappaPlanck_.setRange(1, lTMin, lTMax, NT); + lkappaPlanck_.setRange(2, lRhoMin, lRhoMax, NRho); + + // fill tables + for (int iRho = 0; iRho < NRho; ++iRho) { + const Real lRho_i = lkappaRosseland_.range(2).x(iRho); + for (int iT = 0; iT < NT; ++iT) { + + // get new file-line + std::getline(ff, fline); + cfline = const_cast(fline.c_str()); + fl_tok = std::strtok(cfline, " "); + + // check for consistent density [g/cm^3] on table row + const Real Rho = std::stod(fl_tok); + if (std::abs(Rho - fromLog_(lRho_i)) > 1e-6 * std::abs(Rho)) { + OPAC_ERROR("photons::MeanOpacity: invalid rho"); + } + + // check for consistent temperature [K] on table row + const Real lT_i = lkappaRosseland_.range(1).x(iT); + fl_tok = std::strtok(nullptr, " "); + const Real T = std::stod(fl_tok); + if (std::abs(T - fromLog_(lT_i)) > 1e-6 * std::abs(T)) { + OPAC_ERROR("photons::MeanOpacity: invalid T"); + } + + // populate Rosseland opacity [cm^2/g] + fl_tok = std::strtok(nullptr, " "); + lkappaRosseland_(iRho, iT) = toLog_(std::stod(fl_tok)); + + // populate Planck opacity [cm^2/g] + fl_tok = std::strtok(nullptr, " "); + lkappaPlanck_(iRho, iT) = toLog_(std::stod(fl_tok)); + + if (std::isnan(lkappaPlanck_(iRho, iT)) || + std::isnan(lkappaRosseland_(iRho, iT))) { + OPAC_ERROR("photons::MeanOpacity: NAN in parsed ASCII opacity"); + } + } + } + } + PORTABLE_INLINE_FUNCTION Real toLog_(const Real x) const { return std::log10(std::abs(x) + EPS); } diff --git 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Triad National Security, LLC. All rights reserved. This -// program was produced under U.S. Government contract -// 89233218CNA000001 for Los Alamos National Laboratory (LANL), which -// is operated by Triad National Security, LLC for the U.S. -// Department of Energy/National Nuclear Security Administration. All -// rights in the program are reserved by Triad National Security, LLC, -// and the U.S. Department of Energy/National Nuclear Security -// Administration. The Government is granted for itself and others -// acting on its behalf a nonexclusive, paid-up, irrevocable worldwide -// license in this material to reproduce, prepare derivative works, -// distribute copies to the public, perform publicly and display -// publicly, and to permit others to do so. -// ====================================================================== - -#ifndef SINGULARITY_OPAC_PHOTONS_ZHU_GREY_TABLE_OPACITY_PHOTONS_ -#define SINGULARITY_OPAC_PHOTONS_ZHU_GREY_TABLE_OPACITY_PHOTONS_ - -#include -#include - -#include -#include - -namespace singularity { -namespace photons { - -#define EPS (10.0 * std::numeric_limits::min()) - -// Tables have grey opacity dust, molec -// See "Global 3D Radiation Hydrodynamic Simulations of Proto-Jupiter’s -// Convective EnvelopeConvective Envelope" by Zhaohuan Zhu et al (2021) - -// TODO: Should the Zhu repository be loaded as a submodule? -// NOTE: Tables are assumed to be log-log in rho-T - -// DataBox use is based on, e.g., photon/mean_s_opacity_photons.hpp -template -class ZhuTableOpacity { - public: - using PC = pc; - using DataBox = Spiner::DataBox; - - ZhuTableOpacity() = default; - - // construct Planck/Rosseland DataBox from Zhu ascii or spiner hdf5 file - ZhuTableOpacity(const std::string filename, const bool use_planck_absorb = false) - : opac_type_(use_planck_absorb) { - - // get number of density and temperature points - std::ifstream ff(filename.c_str()); - const bool fexists = ff.good(); - - if (fexists) { - - std::filesystem::path filePath(filename); - std::string extension = filePath.extension().string(); - - if (extension == ".txt") { - // assume this is one of the original Zhu et al (2021) ASCII files - loadZhuASCII(ff); -#ifdef SPINER_USE_HDF - } else if (extension == ".hdf5" || extension == ".h5" || extension == ".sp5") { - hid_t file = H5Fopen(filename.c_str(), H5F_ACC_RDONLY, H5P_DEFAULT); - kappa_.loadHDF(file, "Zhu Table"); -#endif - } else { - OPAC_ERROR("photons::ZhuTableOpacity: unrecognized file extension"); - } - - } else { - OPAC_ERROR("photons::ZhuTableOpacity: file does not exist"); - } - } - -#ifdef SPINER_USE_HDF - void Save(const std::string &filename) const { - herr_t status = H5_SUCCESS; - hid_t file = - H5Fcreate(filename.c_str(), H5F_ACC_TRUNC, H5P_DEFAULT, H5P_DEFAULT); - status += kappa_.saveHDF(file, "Zhu Table"); - status += H5Fclose(file); - - if (status != H5_SUCCESS) { - OPAC_ERROR("photons::ZhuTableOpacity: HDF5 error\n"); - } - } -#endif - - ZhuTableOpacity GetOnDevice() { return *this; } - inline void Finalize() noexcept {} - - PORTABLE_INLINE_FUNCTION - Real AbsorptionCoefficient(const Real rho, const Real temp, const Real nu, - Real *lambda = nullptr) const { - return dist_.AbsorptionCoefficientFromKirkhoff(*this, rho, temp, nu, - lambda); - } - - template - PORTABLE_INLINE_FUNCTION void - AbsorptionCoefficient(const Real rho, const Real temp, - FrequencyIndexer &nu_bins, DataIndexer &coeffs, - const int nbins, Real *lambda = nullptr) const { - for (int i = 0; i < nbins; ++i) { - coeffs[i] = AbsorptionCoefficient(rho, temp, nu_bins[i], lambda); - } - } - - PORTABLE_INLINE_FUNCTION - Real AngleAveragedAbsorptionCoefficient(const Real rho, const Real temp, - const Real nu, - Real *lambda = nullptr) const { - return dist_.AngleAveragedAbsorptionCoefficientFromKirkhoff( - *this, rho, temp, nu, lambda); - } - - template - PORTABLE_INLINE_FUNCTION void AngleAveragedAbsorptionCoefficient( - const Real rho, const Real temp, FrequencyIndexer &nu_bins, - DataIndexer &coeffs, const int nbins, Real *lambda = nullptr) const { - for (int i = 0; i < nbins; ++i) { - coeffs[i] = - AngleAveragedAbsorptionCoefficient(rho, temp, nu_bins[i], lambda); - } - } - - PORTABLE_INLINE_FUNCTION - Real EmissivityPerNuOmega(const Real rho, const Real temp, const Real nu, - Real *lambda = nullptr) const { - const Real lRho = toLog_(rho); - const Real lT = toLog_(temp); - const Real Bnu = dist_.ThermalDistributionOfTNu(temp, nu, lambda); - return rho * kappa_.interpToReal(lRho, lT, opac_type_) * Bnu; - } - - template - PORTABLE_INLINE_FUNCTION void - EmissivityPerNuOmega(const Real rho, const Real temp, - FrequencyIndexer &nu_bins, DataIndexer &coeffs, - const int nbins, Real *lambda = nullptr) const { - for (int i = 0; i < nbins; ++i) { - coeffs[i] = EmissivityPerNuOmega(rho, temp, nu_bins[i], lambda); - } - } - - PORTABLE_INLINE_FUNCTION - Real EmissivityPerNu(const Real rho, const Real temp, const Real nu, - Real *lambda = nullptr) const { - return 4 * M_PI * EmissivityPerNuOmega(rho, temp, nu, lambda); - } - - template - PORTABLE_INLINE_FUNCTION void - EmissivityPerNu(const Real rho, const Real temp, FrequencyIndexer &nu_bins, - DataIndexer &coeffs, const int nbins, - Real *lambda = nullptr) const { - for (int i = 0; i < nbins; ++i) { - coeffs[i] = EmissivityPerNu(rho, temp, nu_bins[i], lambda); - } - } - - PORTABLE_INLINE_FUNCTION - Real Emissivity(const Real rho, const Real temp, - Real *lambda = nullptr) const { - const Real lRho = toLog_(rho); - const Real lT = toLog_(temp); - const Real B = dist_.ThermalDistributionOfT(temp, lambda); - return rho * kappa_.interpToReal(lRho, lT, opac_type_) * B; - } - - PORTABLE_INLINE_FUNCTION - Real NumberEmissivity(const Real rho, const Real temp, - Real *lambda = nullptr) const { - const Real lRho = toLog_(rho); - const Real lT = toLog_(temp); - return kappa_.interpToReal(lRho, lT, opac_type_) * dist_.ThermalNumberDistributionOfT(temp, lambda); - } - - PORTABLE_INLINE_FUNCTION - Real ThermalDistributionOfTNu(const Real temp, const Real nu, - Real *lambda = nullptr) const { - return dist_.ThermalDistributionOfTNu(temp, nu, lambda); - } - - PORTABLE_INLINE_FUNCTION - Real DThermalDistributionOfTNuDT(const Real temp, const Real nu, - Real *lambda = nullptr) const { - return dist_.DThermalDistributionOfTNuDT(temp, nu, lambda); - } - - PORTABLE_INLINE_FUNCTION - Real ThermalDistributionOfT(const Real temp, Real *lambda = nullptr) const { - return dist_.ThermalDistributionOfT(temp, lambda); - } - - PORTABLE_INLINE_FUNCTION Real - ThermalNumberDistributionOfT(const Real temp, Real *lambda = nullptr) const { - return dist_.ThermalNumberDistributionOfT(temp, lambda); - } - - PORTABLE_INLINE_FUNCTION - Real EnergyDensityFromTemperature(const Real temp, - Real *lambda = nullptr) const { - return dist_.EnergyDensityFromTemperature(temp, lambda); - } - - PORTABLE_INLINE_FUNCTION - Real TemperatureFromEnergyDensity(const Real er, - Real *lambda = nullptr) const { - return dist_.TemperatureFromEnergyDensity(er, lambda); - } - - PORTABLE_INLINE_FUNCTION - Real NumberDensityFromTemperature(const Real temp, - Real *lambda = nullptr) const { - return dist_.NumberDensityFromTemperature(temp, lambda); - } - - private: - // stolen from mean_s_opacity_photons.hpp - PORTABLE_INLINE_FUNCTION Real toLog_(const Real x) const { - return std::log10(std::abs(x) + EPS); - } - PORTABLE_INLINE_FUNCTION Real fromLog_(const Real lx) const { - return std::pow(10., lx); - } - - // if .txt file, assume it is the original Zhu dust opacity file - void loadZhuASCII(std::ifstream &ff) { - - int NRho = -1; - int NT = -1; - - // line read from file - std::string fline; - - // read 1-line header to get sizes - std::getline(ff, fline); - - // tokenize fline - char* cfline = const_cast(fline.c_str()); - char* fl_tok = std::strtok(cfline, " "); - - // move to next token to get number of density points - fl_tok = std::strtok(nullptr, " "); - NRho = std::stoi(fl_tok); - - // move to next token to get number of density points - fl_tok = std::strtok(nullptr, " "); - fl_tok = std::strtok(nullptr, " "); - NT = std::stoi(fl_tok); - - // reseize the Planck and Rosseland databoxes (number of types of opac=2) - kappa_.resize(NRho, NT, 2); - - // set rho-T rankges (Zhu tables are uniform in log-log rho-T space) - const Real lTMin = toLog_(1.0); - const Real lTMax = toLog_(7943282.347242886); - const Real lRhoMin = toLog_(1.0e-14); - const Real lRhoMax = toLog_(0.7943282347241912); - kappa_.setRange(1, lTMin, lTMax, NT); - kappa_.setRange(2, lRhoMin, lRhoMax, NRho); - - // fill tables - for (int iRho = 0; iRho < NRho; ++iRho) { - const Real lRho_i = kappa_.range(2).x(iRho); - for (int iT = 0; iT < NT; ++iT) { - - // get new file-line - std::getline(ff, fline); - cfline = const_cast(fline.c_str()); - fl_tok = std::strtok(cfline, " "); - - // check for consistent density [g/cm^3] on table row - const Real Rho = std::stod(fl_tok); - if (std::abs(Rho - fromLog_(lRho_i)) > 1e-6 * std::abs(Rho)) { - OPAC_ERROR("photons::ZhuTableOpacity: invalid rho"); - } - - // check for consistent temperature [K] on table row - const Real lT_i = kappa_.range(1).x(iT); - fl_tok = std::strtok(nullptr, " "); - const Real T = std::stod(fl_tok); - if (std::abs(T - fromLog_(lT_i)) > 1e-6 * std::abs(T)) { - OPAC_ERROR("photons::ZhuTableOpacity: invalid T"); - } - - // populate Rosseland opacity [cm^2/g] - fl_tok = std::strtok(nullptr, " "); - kappa_(iRho, iT, 0) = std::stod(fl_tok); - - // populate Planck opacity [cm^2/g] - fl_tok = std::strtok(nullptr, " "); - kappa_(iRho, iT, 1) = std::stod(fl_tok); - } - } - } - - // WARNING: which only one of the two possibilities can be used for now - int opac_type_; - PlanckDistribution dist_; - DataBox kappa_; -}; - -} // namespace photons -} // namespace singularity - -#endif // SINGULARITY_OPAC_PHOTONS_ZHU_GREY_TABLE_OPACITY_PHOTONS_ diff --git a/test/CMakeLists.txt b/test/CMakeLists.txt index 2860324..22d3860 100644 --- a/test/CMakeLists.txt +++ b/test/CMakeLists.txt @@ -48,16 +48,12 @@ PRIVATE test_spiner_opac_neutrinos.cpp test_mean_opacities.cpp test_variant.cpp - test_zhu_grey_table_opacities.cpp ) # Link data file directory for Zhu table test file(CREATE_LINK - ${CMAKE_SOURCE_DIR}/singularity-opac/photons/zhu_data/opacitysolar09dustq3p5amax0p1new.txt - ${CMAKE_CURRENT_BINARY_DIR}/opacitysolar09dustq3p5amax0p1new.txt SYMBOLIC) -file(CREATE_LINK - ${CMAKE_SOURCE_DIR}/singularity-opac/photons/zhu_data/opacitysolar09dustq3p5amax0p1new.hdf5 - ${CMAKE_CURRENT_BINARY_DIR}/opacitysolar09dustq3p5amax0p1new.hdf5 SYMBOLIC) + ${CMAKE_SOURCE_DIR}/singularity-opac/photons/example_ascii/kap_plaw.txt + ${CMAKE_CURRENT_BINARY_DIR}/kap_plaw.txt SYMBOLIC) target_link_libraries(${PROJECT_NAME}_unit_tests PRIVATE diff --git a/test/test_mean_opacities.cpp b/test/test_mean_opacities.cpp index 932d3d1..af2d291 100644 --- a/test/test_mean_opacities.cpp +++ b/test/test_mean_opacities.cpp @@ -695,3 +695,62 @@ TEST_CASE("Mean photon scattering opacities", "[MeanPhotonS]") { opac.Finalize(); } } + +TEST_CASE("ASCII-parsed Mean photon opacities", "[MeanPhotons]") { + const std::string grayname = "kap_plaw.txt"; + + WHEN("We initialize a mean photon opacity from an ASCII table") { + + constexpr Real rho_min = 1e-14; // g/cc. + constexpr Real temp_min = 1.0; // Kelvin. + constexpr Real ross_at_min = 0.001; // cm^2/g + constexpr Real plnk_at_min = 0.1; // cm^2/g + constexpr Real rho_max = 0.7943282347241912; // g/cc. + constexpr Real temp_max = 7943282.347242886; // Kelvin. + constexpr Real ross_at_max = 0.001; // cm^2/g + constexpr Real plnk_at_max = 0.1; // cm^2/g + + photons::MeanOpacity mean_opac_host = photons::MeanOpacity(grayname); + auto mean_opac = mean_opac_host.GetOnDevice(); + + THEN("The emissivity per nu omega is consistent with the emissity per nu") { + int n_wrong_h = 0; +#ifdef PORTABILITY_STRATEGY_KOKKOS + Kokkos::View n_wrong_d("wrong"); +#else + PortableMDArray n_wrong_d(&n_wrong_h, 1); +#endif + + // get a test value at min rho-T point + Real mross = mean_opac.RosselandMeanAbsorptionCoefficient(rho_min, temp_min); + Real mplnk = mean_opac.PlanckMeanAbsorptionCoefficient(rho_min, temp_min); + + // check min rho-T point + if (FractionalDifference(rho_min * ross_at_min, mross) > EPS_TEST) { + n_wrong_d() += 1; + } + if (FractionalDifference(rho_min * plnk_at_min, mplnk) > EPS_TEST) { + n_wrong_d() += 1; + } + + // get a test value at max rho-T point + mross = mean_opac.RosselandMeanAbsorptionCoefficient(rho_max, temp_max); + mplnk = mean_opac.PlanckMeanAbsorptionCoefficient(rho_max, temp_max); + + // check min rho-T point + if (FractionalDifference(rho_max * ross_at_max, mross) > EPS_TEST) { + n_wrong_d() += 1; + } + if (FractionalDifference(rho_max * plnk_at_max, mplnk) > EPS_TEST) { + n_wrong_d() += 1; + } + +#ifdef PORTABILITY_STRATEGY_KOKKOS + Kokkos::deep_copy(n_wrong_h, n_wrong_d); +#endif + REQUIRE(n_wrong_h == 0); + } + + mean_opac.Finalize(); + } +} diff --git a/test/test_zhu_grey_table_opacities.cpp b/test/test_zhu_grey_table_opacities.cpp deleted file mode 100644 index 93704ff..0000000 --- a/test/test_zhu_grey_table_opacities.cpp +++ /dev/null @@ -1,85 +0,0 @@ -// ====================================================================== -// © 2021-2024. Triad National Security, LLC. All rights reserved. This -// program was produced under U.S. Government contract -// 89233218CNA000001 for Los Alamos National Laboratory (LANL), which -// is operated by Triad National Security, LLC for the U.S. -// Department of Energy/National Nuclear Security Administration. All -// rights in the program are reserved by Triad National Security, LLC, -// and the U.S. Department of Energy/National Nuclear Security -// Administration. The Government is granted for itself and others -// acting on its behalf a nonexclusive, paid-up, irrevocable worldwide -// license in this material to reproduce, prepare derivative works, -// distribute copies to the public, perform publicly and display -// publicly, and to permit others to do so. -// ====================================================================== - -#include -#include - -#include - -#include - -using namespace singularity; - -using pc = PhysicalConstantsCGS; -using DataBox = Spiner::DataBox; - -#ifdef PORTABILITY_STRATEGY_KOKKOS -using atomic_view = Kokkos::MemoryTraits; -#endif - -template -PORTABLE_INLINE_FUNCTION T FractionalDifference(const T &a, const T &b) { - return 2 * std::abs(b - a) / (std::abs(a) + std::abs(b) + 1e-20); -} -constexpr Real EPS_TEST = 1e-6; - -TEST_CASE("Zhu table photon opacities", "[GrayPhotons]") { - WHEN("We initialize a gray Zhu tabular photon opacity") { - - // values are directly copied from parsed table for a_grain=-1 - const std::string fbase = "opacitysolar09dustq3p5amax0p1new"; - const std::string fname = fbase + ".hdf5"; - constexpr Real rho_min = 1e-14; // g/cc. - constexpr Real temp_min = 1.0; // Kelvin. - constexpr Real ross_at_min = 0.0030420184427588414; // cm^2/g - constexpr Real rho_max = 0.7943282347241912; // g/cc. - constexpr Real temp_max = 7943282.347242886; // Kelvin. - constexpr Real ross_at_max = 0.7075511374620657; // cm^2/g - - constexpr Real nu = 3e9; // Hz. UHF microwave - - // not all opacities have a save method, so not using variant for host here - photons::ZhuTable opac_host = photons::ZhuTable(fname); - photons::Opacity opac = opac_host.GetOnDevice(); - - // Check constants from mean opacity - THEN("Check constants from mean opacity for consistency") { - - // set test value - Real mross = opac.AbsorptionCoefficient(rho_min, temp_min, nu); - - // check min rho-T point - int n_wrong = 0; - if (FractionalDifference(rho_min * ross_at_min, mross) > EPS_TEST) { - n_wrong += 1; - } - - // reset value and check max rho-T point - mross = opac.AbsorptionCoefficient(rho_max, temp_max, nu); - if (FractionalDifference(rho_max * ross_at_max, mross) > EPS_TEST) { - n_wrong += 1; - } - - REQUIRE(n_wrong == 0); - } - - // uncomment this save method to creat hdf5 file from ZhuTable DataBox - // const std::string hdfname = fbase + ".hdf5"; - // opac_host.Save(hdfname); - - // finished - opac.Finalize(); - } -} From 5706c371caa809336c6634206b6098f34b367e40 Mon Sep 17 00:00:00 2001 From: Ryan Thomas Wollaeger Date: Tue, 19 Nov 2024 15:21:52 -0700 Subject: [PATCH 06/13] Combine Planck and Rosseland into one DataBox in MeanOpacity. --- .../photons/mean_opacity_photons.hpp | 62 ++++++++----------- singularity-opac/photons/opac_photons.hpp | 4 +- 2 files changed, 27 insertions(+), 39 deletions(-) diff --git a/singularity-opac/photons/mean_opacity_photons.hpp b/singularity-opac/photons/mean_opacity_photons.hpp index a69882d..5536a09 100644 --- a/singularity-opac/photons/mean_opacity_photons.hpp +++ b/singularity-opac/photons/mean_opacity_photons.hpp @@ -78,9 +78,7 @@ class MeanOpacity { } else if (extension == ".hdf5" || extension == ".h5" || extension == ".sp5") { herr_t status = H5_SUCCESS; hid_t file = H5Fopen(filename.c_str(), H5F_ACC_RDONLY, H5P_DEFAULT); - status += lkappaPlanck_.loadHDF(file, SP5::MeanOpac::PlanckMeanOpacity); - status += - lkappaRosseland_.loadHDF(file, SP5::MeanOpac::RosselandMeanOpacity); + status += lkappa_.loadHDF(file, "Rosseland & Planck Mean Opacities"); status += H5Fclose(file); if (status != H5_SUCCESS) { @@ -101,9 +99,7 @@ class MeanOpacity { herr_t status = H5_SUCCESS; hid_t file = H5Fcreate(filename.c_str(), H5F_ACC_TRUNC, H5P_DEFAULT, H5P_DEFAULT); - status += lkappaPlanck_.saveHDF(file, SP5::MeanOpac::PlanckMeanOpacity); - status += - lkappaRosseland_.saveHDF(file, SP5::MeanOpac::RosselandMeanOpacity); + status += lkappa_.saveHDF(file, "Rosseland & Planck Mean Opacities"); status += H5Fclose(file); if (status != H5_SUCCESS) { @@ -118,21 +114,19 @@ class MeanOpacity { MeanOpacity GetOnDevice() { MeanOpacity other; - other.lkappaPlanck_ = Spiner::getOnDeviceDataBox(lkappaPlanck_); - other.lkappaRosseland_ = Spiner::getOnDeviceDataBox(lkappaRosseland_); + other.lkappa_ = Spiner::getOnDeviceDataBox(lkappa_); return other; } void Finalize() { - lkappaPlanck_.finalize(); - lkappaRosseland_.finalize(); + lkappa_.finalize(); } PORTABLE_INLINE_FUNCTION Real PlanckMeanAbsorptionCoefficient(const Real rho, const Real temp) const { Real lRho = toLog_(rho); Real lT = toLog_(temp); - return rho * fromLog_(lkappaPlanck_.interpToReal(lRho, lT)); + return rho * fromLog_(lkappa_.interpToReal(lRho, lT, 1)); } PORTABLE_INLINE_FUNCTION @@ -140,7 +134,7 @@ class MeanOpacity { const Real temp) const { Real lRho = toLog_(rho); Real lT = toLog_(temp); - return rho * fromLog_(lkappaRosseland_.interpToReal(lRho, lT)); + return rho * fromLog_(lkappa_.interpToReal(lRho, lT, 0)); } private: @@ -151,17 +145,16 @@ class MeanOpacity { Real lNuMax, const int NNu, Real *lambda = nullptr) { using PC = typename Opacity::PC; - lkappaPlanck_.resize(NRho, NT); - lkappaPlanck_.setRange(0, lTMin, lTMax, NT); - lkappaPlanck_.setRange(1, lRhoMin, lRhoMax, NRho); - lkappaRosseland_.copyMetadata(lkappaPlanck_); + lkappa_.resize(NRho, NT, 2); + lkappa_.setRange(1, lTMin, lTMax, NT); + lkappa_.setRange(2, lRhoMin, lRhoMax, NRho); // Fill tables for (int iRho = 0; iRho < NRho; ++iRho) { - Real lRho = lkappaPlanck_.range(1).x(iRho); + Real lRho = lkappa_.range(2).x(iRho); Real rho = fromLog_(lRho); for (int iT = 0; iT < NT; ++iT) { - Real lT = lkappaPlanck_.range(0).x(iT); + Real lT = lkappa_.range(1).x(iT); Real T = fromLog_(lT); Real kappaPlanckNum = 0.; Real kappaPlanckDenom = 0.; @@ -198,10 +191,11 @@ class MeanOpacity { ? singularity_opac::robust::ratio( kappaRosselandDenom, kappaRosselandNum) : 0.; - lkappaPlanck_(iRho, iT) = toLog_(kappaPlanck); - lkappaRosseland_(iRho, iT) = toLog_(kappaRosseland); - if (std::isnan(lkappaPlanck_(iRho, iT)) || - std::isnan(lkappaRosseland_(iRho, iT))) { + + lkappa_(iRho, iT, 0) = toLog_(kappaRosseland); + lkappa_(iRho, iT, 1) = toLog_(kappaPlanck); + if (std::isnan(lkappa_(iRho, iT, 0)) || + std::isnan(lkappa_(iRho, iT, 1))) { OPAC_ERROR("photons::MeanOpacity: NAN in opacity evaluations"); } } @@ -234,22 +228,19 @@ class MeanOpacity { NT = std::stoi(fl_tok); // reseize the Planck and Rosseland databoxes (number of types of opac=2) - lkappaRosseland_.resize(NRho, NT); - lkappaPlanck_.resize(NRho, NT); + lkappa_.resize(NRho, NT, 2); // set rho-T rankges (Zhu tables are uniform in log-log rho-T space) const Real lTMin = toLog_(1.0); const Real lTMax = toLog_(7943282.347242886); const Real lRhoMin = toLog_(1.0e-14); const Real lRhoMax = toLog_(0.7943282347241912); - lkappaRosseland_.setRange(1, lTMin, lTMax, NT); - lkappaRosseland_.setRange(2, lRhoMin, lRhoMax, NRho); - lkappaPlanck_.setRange(1, lTMin, lTMax, NT); - lkappaPlanck_.setRange(2, lRhoMin, lRhoMax, NRho); + lkappa_.setRange(1, lTMin, lTMax, NT); + lkappa_.setRange(2, lRhoMin, lRhoMax, NRho); // fill tables for (int iRho = 0; iRho < NRho; ++iRho) { - const Real lRho_i = lkappaRosseland_.range(2).x(iRho); + const Real lRho_i = lkappa_.range(2).x(iRho); for (int iT = 0; iT < NT; ++iT) { // get new file-line @@ -264,7 +255,7 @@ class MeanOpacity { } // check for consistent temperature [K] on table row - const Real lT_i = lkappaRosseland_.range(1).x(iT); + const Real lT_i = lkappa_.range(1).x(iT); fl_tok = std::strtok(nullptr, " "); const Real T = std::stod(fl_tok); if (std::abs(T - fromLog_(lT_i)) > 1e-6 * std::abs(T)) { @@ -273,14 +264,14 @@ class MeanOpacity { // populate Rosseland opacity [cm^2/g] fl_tok = std::strtok(nullptr, " "); - lkappaRosseland_(iRho, iT) = toLog_(std::stod(fl_tok)); + lkappa_(iRho, iT, 0) = toLog_(std::stod(fl_tok)); // populate Planck opacity [cm^2/g] fl_tok = std::strtok(nullptr, " "); - lkappaPlanck_(iRho, iT) = toLog_(std::stod(fl_tok)); + lkappa_(iRho, iT, 1) = toLog_(std::stod(fl_tok)); - if (std::isnan(lkappaPlanck_(iRho, iT)) || - std::isnan(lkappaRosseland_(iRho, iT))) { + if (std::isnan(lkappa_(iRho, iT, 0)) || + std::isnan(lkappa_(iRho, iT, 1))) { OPAC_ERROR("photons::MeanOpacity: NAN in parsed ASCII opacity"); } } @@ -293,8 +284,7 @@ class MeanOpacity { PORTABLE_INLINE_FUNCTION Real fromLog_(const Real lx) const { return std::pow(10., lx); } - Spiner::DataBox lkappaPlanck_; - Spiner::DataBox lkappaRosseland_; + Spiner::DataBox lkappa_; const char *filename_; }; diff --git a/singularity-opac/photons/opac_photons.hpp b/singularity-opac/photons/opac_photons.hpp index 1e36b13..50918a5 100644 --- a/singularity-opac/photons/opac_photons.hpp +++ b/singularity-opac/photons/opac_photons.hpp @@ -17,7 +17,6 @@ #define SINGULARITY_OPAC_PHOTONS_OPAC_PHOTONS_ #include -#include #include #include #include @@ -34,10 +33,9 @@ using Gray = GrayOpacity; using PowerLawScaleFree = PowerLawOpacity; using PowerLaw = PowerLawOpacity; using EPBremss = EPBremsstrahlungOpacity; -using ZhuTable = ZhuTableOpacity; using Opacity = impl::Variant, + EPBremss, NonCGSUnits, NonCGSUnits, NonCGSUnits>; } // namespace photons From bc206ec704a729509c8c7682915bbbafa7e4b8f8 Mon Sep 17 00:00:00 2001 From: Ryan Thomas Wollaeger Date: Tue, 19 Nov 2024 16:33:01 -0700 Subject: [PATCH 07/13] Add script to interpolate existing ASCII to log-log rho-T grid. + (Optionally) interpolate using SciPy interp2d. + Assert logarithmic grids if is_loglog is specified. + Verify number of rho-T points in header in old opacity file. + Add min/max rho-T as metadata to header in new opacity file. Note: this script assumes old ASCII file is in Zhu et al (2021) grey opacity format, which has a Rosseland and Planck column. --- .../example_ascii/preproc_ascii_opac.py | 71 +++++++++++++++++++ 1 file changed, 71 insertions(+) create mode 100644 singularity-opac/photons/example_ascii/preproc_ascii_opac.py diff --git a/singularity-opac/photons/example_ascii/preproc_ascii_opac.py b/singularity-opac/photons/example_ascii/preproc_ascii_opac.py new file mode 100644 index 0000000..e8c53e9 --- /dev/null +++ b/singularity-opac/photons/example_ascii/preproc_ascii_opac.py @@ -0,0 +1,71 @@ +#--------------------------------------------------------------------------------------------------# +# Regrid (interpolate) Rosseland and Planck opacity data to a log-log rho-T grid. +#--------------------------------------------------------------------------------------------------# +import numpy as np +from scipy.interpolate import interp2d +import argparse + +#-- parse command line arguments +parser = argparse.ArgumentParser(description="Re-grid opacity data to be log-log in density-temperature.") +parser.add_argument("fname", type=str, help="Opacity file to re-grid.") +parser.add_argument("--is_loglog", action="store_true", help="Avoid regridding if already log-log.") +parser.add_argument("--fname_new", type=str, default="kappa_new.txt", help="File name for new file created.") +args = parser.parse_args() + +NRho = -1 +NT = -1 +with open(args.fname, "r") as ff: + svec = ff.readline().split(" ") + NRho = int(svec[2]) + NT = int(svec[4]) + +print("NRho = ", NRho) +print("NT = ", NT) + +opac = np.loadtxt(args.fname, skiprows=1) + +print("opac.shape = ", opac.shape) +assert np.size(opac, 0) == NT * NRho, "np.size(opac, 0) != NT * NRho" + +#-- density, temperature grids +Rho = np.unique(opac[:,0]) +T = np.unique(opac[:,1]) + +assert np.size(Rho) == NRho, "np.size(Rho) != Rho" +assert np.size(T) == NT, "np.size(T) != NT" + +r = np.logspace(np.log10(Rho[0]), np.log10(Rho[NRho - 1]), NRho) +tt = np.logspace(np.log10(T[0]), np.log10(T[NT - 1]), NT) + +if (args.is_loglog): + assert np.max(abs(r - Rho) / Rho) < 1e-6, "np.max(abs(r - Rho) / Rho) >= 1e-6" + assert np.max(abs(tt - T) / T) < 1e-6, "np.max(abs(tt - T) / T) >= 1e-6" +else: + print() + print("Interpolating data to log-log rho-T grid...") + #-- reshape to rho-T grid + ross_old_opac = np.reshape(opac[:,2], (NRho, NT)) + plnk_old_opac = np.reshape(opac[:,3], (NRho, NT)) + #-- linearly interpolate in log-log rho-T + ross_f2d = interp2d(np.log10(Rho), np.log10(T), ross_old_opac, kind='linear') + plnk_f2d = interp2d(np.log10(Rho), np.log10(T), plnk_old_opac, kind='linear') + ross_new_opac = ross_f2d(np.log10(r), np.log10(tt)) + plnk_new_opac = plnk_f2d(np.log10(r), np.log10(tt)) + #-- reset opacity array + for i in range(NRho): + for j in range(NT): + k = j + NT * i + opac[k,0] = r[i] + opac[k,1] = tt[j] + opac[k,2] = ross_new_opac[i,j] + opac[k,3] = plnk_new_opac[i,j] + +#-- save with new header containing min/max rho, T +hdr = "NRho "+str(NRho)+" NT "+str(NT) + "\n" \ + "rho_min {:.8e}".format(r[0])+" rho_max {:.8e}".format(r[NRho-1]) + "\n" \ + "T_min {:.8e}".format(tt[0]) + " T_max {:.8e}".format(tt[NT-1]) +np.savetxt(args.fname_new, opac, delimiter=" ", header=hdr, comments=" ", fmt="%.8e") + +#--------------------------------------------------------------------------------------------------# +# End of preproc_ascii_opac.py +#--------------------------------------------------------------------------------------------------# From 468e04ce0b380b04dd7a2ed875d57d3aed9aadd3 Mon Sep 17 00:00:00 2001 From: Ryan Thomas Wollaeger Date: Tue, 19 Nov 2024 21:04:53 -0700 Subject: [PATCH 08/13] Modify ASCII parser to use min/max header data. + Make changes to parser name and comments to remove references. + Remove power-law opacity generation script. Note: the new metadata is redundant with the rho-T column data, so either might be removed. --- .../example_ascii/create_mean_opac_ascii.py | 56 ------------------- .../photons/example_ascii/kap_plaw.txt | 12 ++-- .../photons/mean_opacity_photons.hpp | 47 +++++++++++----- 3 files changed, 41 insertions(+), 74 deletions(-) delete mode 100644 singularity-opac/photons/example_ascii/create_mean_opac_ascii.py diff --git a/singularity-opac/photons/example_ascii/create_mean_opac_ascii.py b/singularity-opac/photons/example_ascii/create_mean_opac_ascii.py deleted file mode 100644 index 370bdbd..0000000 --- a/singularity-opac/photons/example_ascii/create_mean_opac_ascii.py +++ /dev/null @@ -1,56 +0,0 @@ -#--------------------------------------------------------------------------------------------------# -# This script defaults to using the temperature and density bounds for opacity data found -# in Zhaohuan Zhu et al (2021), "Global 3D Radiation Hydrodynamic Simulations of Proto-Jupiter’s -# Convective EnvelopeConvective Envelope". Otherwise, it merely generates a power law for Rosseland -# and Planck-averaged opacities, and produces a table in an ASCII format equivalent to that of Zhu. -#--------------------------------------------------------------------------------------------------# -import numpy as np -import argparse - -#-- parse command line arguments -parser = argparse.ArgumentParser(description="Create power-law grey opacity ASCII table (for testing).") -parser.add_argument("fname", type=str, help="base opacity file name to create (.txt is appended).") -parser.add_argument("--Nrho", type=int, default=4, help="Number of density points (assumes log space)") -parser.add_argument("--rho", type=float, nargs=2, default=[1e-14, 0.7943282347241912], - help="min, max densities [g/cc]") -parser.add_argument("--NT", type=int, default=4, help="Number of temperature points (assumes log space)") -parser.add_argument("--T", type=float, nargs=2, default=[1.0, 7943282.347242886], - help="min, max temperatures [K]") -parser.add_argument("--rho_ref", type=float, default=1e-6, help="Reference density [g/cc]") -parser.add_argument("--rho_exp", type=float, default=0.0, help="Exponent of density / ref. density") -parser.add_argument("--T_ref", type=float, default=11604, help="Reference density [K]") -parser.add_argument("--T_exp", type=float, default=0.0, help="Exponent of temperature / ref. temperature") -parser.add_argument("--Pkap_coef", type=float, default=0.01, help="Planck opacity coefficient [cm^2/g]") -parser.add_argument("--Rkap_coef", type=float, default=0.01, help="Rosseland opacity coefficient [cm^2/g]") -args = parser.parse_args() - -#-- implement simple power law -def power_law_kappa(r, t): - '''power_law_kappa (cgs): r=density (1st arg), t=temperature (2nd arg)''' - kap_coef = [args.Rkap_coef, args.Pkap_coef] - kap_pwrs = (r / args.rho_ref)**(args.rho_exp) * (t / args.T_ref)**(args.T_exp) - return [kapc * kap_pwrs for kapc in kap_coef] - -#-- set rho and T arrays -rho = np.logspace(np.log10(args.rho[0]), np.log10(args.rho[1]), args.Nrho) -T = np.logspace(np.log10(args.T[0]), np.log10(args.T[1]), args.NT) - -#-- initialize the opacity array - columns: density, temperature, Rosseland, Planck -Nrow = args.Nrho * args.NT -opac = np.zeros((Nrow, 4)) - -#-- populate opacity array -for i in range(args.Nrho): - for j in range(args.NT): - k = j + args.NT * i - opac[k,0] = rho[i] - opac[k,1] = T[j] - opac[k,2:] = power_law_kappa(rho[i], T[j]) - -#-- save opacity array -np.savetxt(args.fname+'.txt', opac, delimiter=" ", - header="rho "+str(args.Nrho)+" T "+str(args.NT), comments=" ", fmt="%.8e") - -#--------------------------------------------------------------------------------------------------# -# End of create_mean_opac_ascii.py -#--------------------------------------------------------------------------------------------------# diff --git a/singularity-opac/photons/example_ascii/kap_plaw.txt b/singularity-opac/photons/example_ascii/kap_plaw.txt index 28c41b3..123abd7 100644 --- a/singularity-opac/photons/example_ascii/kap_plaw.txt +++ b/singularity-opac/photons/example_ascii/kap_plaw.txt @@ -1,17 +1,19 @@ - rho 4 T 4 + NRho 4 NT 4 + rho_min 1.00000000e-14 rho_max 7.94328235e-01 + T_min 1.00000000e+00 T_max 7.94328235e+06 1.00000000e-14 1.00000000e+00 1.00000000e-03 1.00000000e-01 -1.00000000e-14 1.99526231e+02 1.00000000e-03 1.00000000e-01 +1.00000000e-14 1.99526232e+02 1.00000000e-03 1.00000000e-01 1.00000000e-14 3.98107171e+04 1.00000000e-03 1.00000000e-01 1.00000000e-14 7.94328235e+06 1.00000000e-03 1.00000000e-01 4.29866235e-10 1.00000000e+00 1.00000000e-03 1.00000000e-01 -4.29866235e-10 1.99526231e+02 1.00000000e-03 1.00000000e-01 +4.29866235e-10 1.99526232e+02 1.00000000e-03 1.00000000e-01 4.29866235e-10 3.98107171e+04 1.00000000e-03 1.00000000e-01 4.29866235e-10 7.94328235e+06 1.00000000e-03 1.00000000e-01 1.84784980e-05 1.00000000e+00 1.00000000e-03 1.00000000e-01 -1.84784980e-05 1.99526231e+02 1.00000000e-03 1.00000000e-01 +1.84784980e-05 1.99526232e+02 1.00000000e-03 1.00000000e-01 1.84784980e-05 3.98107171e+04 1.00000000e-03 1.00000000e-01 1.84784980e-05 7.94328235e+06 1.00000000e-03 1.00000000e-01 7.94328235e-01 1.00000000e+00 1.00000000e-03 1.00000000e-01 -7.94328235e-01 1.99526231e+02 1.00000000e-03 1.00000000e-01 +7.94328235e-01 1.99526232e+02 1.00000000e-03 1.00000000e-01 7.94328235e-01 3.98107171e+04 1.00000000e-03 1.00000000e-01 7.94328235e-01 7.94328235e+06 1.00000000e-03 1.00000000e-01 diff --git a/singularity-opac/photons/mean_opacity_photons.hpp b/singularity-opac/photons/mean_opacity_photons.hpp index 5536a09..7c9984c 100644 --- a/singularity-opac/photons/mean_opacity_photons.hpp +++ b/singularity-opac/photons/mean_opacity_photons.hpp @@ -59,7 +59,7 @@ class MeanOpacity { NT, lNuMin, lNuMax, NNu, lambda); } - // construct Planck/Rosseland DataBox from Zhu-formatted ascii file + // construct Planck/Rosseland DataBox from ascii file MeanOpacity(const std::string &filename) : filename_(filename.c_str()) { // get number of density and temperature points @@ -72,8 +72,7 @@ class MeanOpacity { std::string extension = filePath.extension().string(); if (extension == ".txt") { - // assume this is one of the original Zhu et al (2021) ASCII files - loadZhuASCII(ff); + loadASCII(ff); #ifdef SPINER_USE_HDF } else if (extension == ".hdf5" || extension == ".h5" || extension == ".sp5") { herr_t status = H5_SUCCESS; @@ -202,8 +201,8 @@ class MeanOpacity { } } - // if .txt file, assume it is the original Zhu dust opacity file - void loadZhuASCII(std::ifstream &ff) { + // ASCII opacity file reader + void loadASCII(std::ifstream &ff) { int NRho = -1; int NT = -1; @@ -211,7 +210,7 @@ class MeanOpacity { // line read from file std::string fline; - // read 1-line header to get sizes + // read 1st line of header to get sizes std::getline(ff, fline); // tokenize fline @@ -222,19 +221,41 @@ class MeanOpacity { fl_tok = std::strtok(nullptr, " "); NRho = std::stoi(fl_tok); - // move to next token to get number of density points + // move to next token to get number of temperature points fl_tok = std::strtok(nullptr, " "); fl_tok = std::strtok(nullptr, " "); NT = std::stoi(fl_tok); - // reseize the Planck and Rosseland databoxes (number of types of opac=2) + // read 2nd line of header to get min/max density + std::getline(ff, fline); + // tokenize fline + cfline = const_cast(fline.c_str()); + fl_tok = std::strtok(cfline, " "); + fl_tok = std::strtok(nullptr, " "); + const Real RhoMin = std::stod(fl_tok); + fl_tok = std::strtok(nullptr, " "); + fl_tok = std::strtok(nullptr, " "); + const Real RhoMax = std::stod(fl_tok); + + // read 3nd line of header to get min/max temperature + std::getline(ff, fline); + // tokenize fline + cfline = const_cast(fline.c_str()); + fl_tok = std::strtok(cfline, " "); + fl_tok = std::strtok(nullptr, " "); + const Real TMin = std::stod(fl_tok); + fl_tok = std::strtok(nullptr, " "); + fl_tok = std::strtok(nullptr, " "); + const Real TMax = std::stod(fl_tok); + + // reseize the Planck and Rosseland databox lkappa_.resize(NRho, NT, 2); - // set rho-T rankges (Zhu tables are uniform in log-log rho-T space) - const Real lTMin = toLog_(1.0); - const Real lTMax = toLog_(7943282.347242886); - const Real lRhoMin = toLog_(1.0e-14); - const Real lRhoMax = toLog_(0.7943282347241912); + // set rho-T ranges + const Real lTMin = toLog_(TMin); + const Real lTMax = toLog_(TMax); + const Real lRhoMin = toLog_(RhoMin); + const Real lRhoMax = toLog_(RhoMax); lkappa_.setRange(1, lTMin, lTMax, NT); lkappa_.setRange(2, lRhoMin, lRhoMax, NRho); From 9762081dd548d3eb452aa237f96fec05ba771441 Mon Sep 17 00:00:00 2001 From: Ryan Thomas Wollaeger Date: Tue, 19 Nov 2024 21:38:22 -0700 Subject: [PATCH 09/13] Remove redundant rho-T columns from parsed ASCII format. + Remove rho-T parsing from MeanOpacity loadASCII function. + Update test ASCII data file example_ascii/kap_plaw.txt. Note: non-uniform rho-T data points can be interpolated onto a log-log grid, e.g., with example_ascii/preproc_ascii_opac.py. --- .../photons/example_ascii/kap_plaw.txt | 32 +++++++++---------- .../example_ascii/preproc_ascii_opac.py | 2 +- .../photons/mean_opacity_photons.hpp | 15 --------- 3 files changed, 17 insertions(+), 32 deletions(-) diff --git a/singularity-opac/photons/example_ascii/kap_plaw.txt b/singularity-opac/photons/example_ascii/kap_plaw.txt index 123abd7..59568c1 100644 --- a/singularity-opac/photons/example_ascii/kap_plaw.txt +++ b/singularity-opac/photons/example_ascii/kap_plaw.txt @@ -1,19 +1,19 @@ NRho 4 NT 4 rho_min 1.00000000e-14 rho_max 7.94328235e-01 T_min 1.00000000e+00 T_max 7.94328235e+06 -1.00000000e-14 1.00000000e+00 1.00000000e-03 1.00000000e-01 -1.00000000e-14 1.99526232e+02 1.00000000e-03 1.00000000e-01 -1.00000000e-14 3.98107171e+04 1.00000000e-03 1.00000000e-01 -1.00000000e-14 7.94328235e+06 1.00000000e-03 1.00000000e-01 -4.29866235e-10 1.00000000e+00 1.00000000e-03 1.00000000e-01 -4.29866235e-10 1.99526232e+02 1.00000000e-03 1.00000000e-01 -4.29866235e-10 3.98107171e+04 1.00000000e-03 1.00000000e-01 -4.29866235e-10 7.94328235e+06 1.00000000e-03 1.00000000e-01 -1.84784980e-05 1.00000000e+00 1.00000000e-03 1.00000000e-01 -1.84784980e-05 1.99526232e+02 1.00000000e-03 1.00000000e-01 -1.84784980e-05 3.98107171e+04 1.00000000e-03 1.00000000e-01 -1.84784980e-05 7.94328235e+06 1.00000000e-03 1.00000000e-01 -7.94328235e-01 1.00000000e+00 1.00000000e-03 1.00000000e-01 -7.94328235e-01 1.99526232e+02 1.00000000e-03 1.00000000e-01 -7.94328235e-01 3.98107171e+04 1.00000000e-03 1.00000000e-01 -7.94328235e-01 7.94328235e+06 1.00000000e-03 1.00000000e-01 +1.00000000e-03 1.00000000e-01 +1.00000000e-03 1.00000000e-01 +1.00000000e-03 1.00000000e-01 +1.00000000e-03 1.00000000e-01 +1.00000000e-03 1.00000000e-01 +1.00000000e-03 1.00000000e-01 +1.00000000e-03 1.00000000e-01 +1.00000000e-03 1.00000000e-01 +1.00000000e-03 1.00000000e-01 +1.00000000e-03 1.00000000e-01 +1.00000000e-03 1.00000000e-01 +1.00000000e-03 1.00000000e-01 +1.00000000e-03 1.00000000e-01 +1.00000000e-03 1.00000000e-01 +1.00000000e-03 1.00000000e-01 +1.00000000e-03 1.00000000e-01 diff --git a/singularity-opac/photons/example_ascii/preproc_ascii_opac.py b/singularity-opac/photons/example_ascii/preproc_ascii_opac.py index e8c53e9..c6d931b 100644 --- a/singularity-opac/photons/example_ascii/preproc_ascii_opac.py +++ b/singularity-opac/photons/example_ascii/preproc_ascii_opac.py @@ -64,7 +64,7 @@ hdr = "NRho "+str(NRho)+" NT "+str(NT) + "\n" \ "rho_min {:.8e}".format(r[0])+" rho_max {:.8e}".format(r[NRho-1]) + "\n" \ "T_min {:.8e}".format(tt[0]) + " T_max {:.8e}".format(tt[NT-1]) -np.savetxt(args.fname_new, opac, delimiter=" ", header=hdr, comments=" ", fmt="%.8e") +np.savetxt(args.fname_new, opac[:,2:], delimiter=" ", header=hdr, comments=" ", fmt="%.8e") #--------------------------------------------------------------------------------------------------# # End of preproc_ascii_opac.py diff --git a/singularity-opac/photons/mean_opacity_photons.hpp b/singularity-opac/photons/mean_opacity_photons.hpp index 7c9984c..e33b1a6 100644 --- a/singularity-opac/photons/mean_opacity_photons.hpp +++ b/singularity-opac/photons/mean_opacity_photons.hpp @@ -269,22 +269,7 @@ class MeanOpacity { cfline = const_cast(fline.c_str()); fl_tok = std::strtok(cfline, " "); - // check for consistent density [g/cm^3] on table row - const Real Rho = std::stod(fl_tok); - if (std::abs(Rho - fromLog_(lRho_i)) > 1e-6 * std::abs(Rho)) { - OPAC_ERROR("photons::MeanOpacity: invalid rho"); - } - - // check for consistent temperature [K] on table row - const Real lT_i = lkappa_.range(1).x(iT); - fl_tok = std::strtok(nullptr, " "); - const Real T = std::stod(fl_tok); - if (std::abs(T - fromLog_(lT_i)) > 1e-6 * std::abs(T)) { - OPAC_ERROR("photons::MeanOpacity: invalid T"); - } - // populate Rosseland opacity [cm^2/g] - fl_tok = std::strtok(nullptr, " "); lkappa_(iRho, iT, 0) = toLog_(std::stod(fl_tok)); // populate Planck opacity [cm^2/g] From 8710755463f4e05993fcbda7b3786422df813613 Mon Sep 17 00:00:00 2001 From: Ryan Thomas Wollaeger Date: Wed, 20 Nov 2024 11:34:33 -0700 Subject: [PATCH 10/13] Add preliminary section on current ASCII capability to README.md. --- README.md | 14 ++++++++++++++ 1 file changed, 14 insertions(+) diff --git a/README.md b/README.md index 459588f..7f24b2a 100644 --- a/README.md +++ b/README.md @@ -59,6 +59,20 @@ A number of options are avaialable for compiling: | SINGULARITY_USE_HDF5 | ON | Enables HDF5. Required for Spiner opacities. | | SINGULARITY_KOKKOS_IN_TREE | OFF | Force cmake to use Kokkos source included in tree. | +### Loading ASCII Data + +Currently, the MeanOpacity class, defined in singularity-opac/photons/mean_opacity_photons.hpp, supports +loading grey Rosseland and Planck opacity data in an ASCII format. An example of this format is +provided by singularity-opac/photons/example_ascii/kap_plaw.txt. The 1st row of the header has the +number of density points, NRho, then the number of temperature points, NT. The 2nd (3rd) row of the header +has min and max density (temperature) bounds. These bounds are inclusive, so the opacity data in the file +should have evaluations at these min and max values. The rest of the ASCII file is a two-column table, where +the 1st (2nd) column is Rosseland (Planck) opacity. The number of rows in each column is NRhoxNT, where +density is the slow index and temperature is the fast index (thus the row index = temperature index ++ NT x (density index), indexing from 0). Each opacity is assumed to be evaluated on log-spaced +density and temperature grids, where these grids are defined by NRho, NT, and the (again inclusive) min and +max bounds the header. + ## Copyright © 2021. Triad National Security, LLC. All rights reserved. This From eaaa4dc3a14540d0a1200dd35f1cd8e2ccd71a92 Mon Sep 17 00:00:00 2001 From: Ryan Thomas Wollaeger Date: Wed, 20 Nov 2024 11:49:35 -0700 Subject: [PATCH 11/13] Remove footer comment from ASCII preprocessing script. Co-authored-by: Ben Ryan --- singularity-opac/photons/example_ascii/preproc_ascii_opac.py | 3 --- 1 file changed, 3 deletions(-) diff --git a/singularity-opac/photons/example_ascii/preproc_ascii_opac.py b/singularity-opac/photons/example_ascii/preproc_ascii_opac.py index c6d931b..b7118c7 100644 --- a/singularity-opac/photons/example_ascii/preproc_ascii_opac.py +++ b/singularity-opac/photons/example_ascii/preproc_ascii_opac.py @@ -66,6 +66,3 @@ "T_min {:.8e}".format(tt[0]) + " T_max {:.8e}".format(tt[NT-1]) np.savetxt(args.fname_new, opac[:,2:], delimiter=" ", header=hdr, comments=" ", fmt="%.8e") -#--------------------------------------------------------------------------------------------------# -# End of preproc_ascii_opac.py -#--------------------------------------------------------------------------------------------------# From a6fbdd024e852749cdddfa962e69d11c203a337a Mon Sep 17 00:00:00 2001 From: Ryan Thomas Wollaeger Date: Wed, 20 Nov 2024 11:50:30 -0700 Subject: [PATCH 12/13] Add copyright banner to ASCII preprocessing script. Co-authored-by: Ben Ryan --- .../photons/example_ascii/preproc_ascii_opac.py | 15 +++++++++++++++ 1 file changed, 15 insertions(+) diff --git a/singularity-opac/photons/example_ascii/preproc_ascii_opac.py b/singularity-opac/photons/example_ascii/preproc_ascii_opac.py index b7118c7..ad9a0ed 100644 --- a/singularity-opac/photons/example_ascii/preproc_ascii_opac.py +++ b/singularity-opac/photons/example_ascii/preproc_ascii_opac.py @@ -1,3 +1,18 @@ +# ====================================================================== +# © 2024. Triad National Security, LLC. All rights reserved. This +# program was produced under U.S. Government contract +# 89233218CNA000001 for Los Alamos National Laboratory (LANL), which +# is operated by Triad National Security, LLC for the U.S. +# Department of Energy/National Nuclear Security Administration. All +# rights in the program are reserved by Triad National Security, LLC, +# and the U.S. Department of Energy/National Nuclear Security +# Administration. The Government is granted for itself and others +# acting on its behalf a nonexclusive, paid-up, irrevocable worldwide +# license in this material to reproduce, prepare derivative works, +# distribute copies to the public, perform publicly and display +# publicly, and to permit others to do so. +# ====================================================================== + #--------------------------------------------------------------------------------------------------# # Regrid (interpolate) Rosseland and Planck opacity data to a log-log rho-T grid. #--------------------------------------------------------------------------------------------------# From c3f30c9ff05b99a552728d84a2131588dfd948d9 Mon Sep 17 00:00:00 2001 From: Ryan Thomas Wollaeger Date: Wed, 20 Nov 2024 11:59:49 -0700 Subject: [PATCH 13/13] Use MeanOpacity class member enum for Planck and Rosseland index. (Thanks to BRR for the suggestion.) --- .../photons/mean_opacity_photons.hpp | 24 +++++++++++-------- 1 file changed, 14 insertions(+), 10 deletions(-) diff --git a/singularity-opac/photons/mean_opacity_photons.hpp b/singularity-opac/photons/mean_opacity_photons.hpp index e33b1a6..a6a7511 100644 --- a/singularity-opac/photons/mean_opacity_photons.hpp +++ b/singularity-opac/photons/mean_opacity_photons.hpp @@ -125,7 +125,7 @@ class MeanOpacity { Real PlanckMeanAbsorptionCoefficient(const Real rho, const Real temp) const { Real lRho = toLog_(rho); Real lT = toLog_(temp); - return rho * fromLog_(lkappa_.interpToReal(lRho, lT, 1)); + return rho * fromLog_(lkappa_.interpToReal(lRho, lT, Planck)); } PORTABLE_INLINE_FUNCTION @@ -133,7 +133,7 @@ class MeanOpacity { const Real temp) const { Real lRho = toLog_(rho); Real lT = toLog_(temp); - return rho * fromLog_(lkappa_.interpToReal(lRho, lT, 0)); + return rho * fromLog_(lkappa_.interpToReal(lRho, lT, Rosseland)); } private: @@ -191,10 +191,10 @@ class MeanOpacity { kappaRosselandDenom, kappaRosselandNum) : 0.; - lkappa_(iRho, iT, 0) = toLog_(kappaRosseland); - lkappa_(iRho, iT, 1) = toLog_(kappaPlanck); - if (std::isnan(lkappa_(iRho, iT, 0)) || - std::isnan(lkappa_(iRho, iT, 1))) { + lkappa_(iRho, iT, Rosseland) = toLog_(kappaRosseland); + lkappa_(iRho, iT, Planck) = toLog_(kappaPlanck); + if (std::isnan(lkappa_(iRho, iT, Rosseland)) || + std::isnan(lkappa_(iRho, iT, Planck))) { OPAC_ERROR("photons::MeanOpacity: NAN in opacity evaluations"); } } @@ -270,14 +270,14 @@ class MeanOpacity { fl_tok = std::strtok(cfline, " "); // populate Rosseland opacity [cm^2/g] - lkappa_(iRho, iT, 0) = toLog_(std::stod(fl_tok)); + lkappa_(iRho, iT, Rosseland) = toLog_(std::stod(fl_tok)); // populate Planck opacity [cm^2/g] fl_tok = std::strtok(nullptr, " "); - lkappa_(iRho, iT, 1) = toLog_(std::stod(fl_tok)); + lkappa_(iRho, iT, Planck) = toLog_(std::stod(fl_tok)); - if (std::isnan(lkappa_(iRho, iT, 0)) || - std::isnan(lkappa_(iRho, iT, 1))) { + if (std::isnan(lkappa_(iRho, iT, Rosseland)) || + std::isnan(lkappa_(iRho, iT, Planck))) { OPAC_ERROR("photons::MeanOpacity: NAN in parsed ASCII opacity"); } } @@ -292,6 +292,10 @@ class MeanOpacity { } Spiner::DataBox lkappa_; const char *filename_; + enum OpacityAveraging { + Rosseland = 0, + Planck = 1 + }; }; #undef EPS