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Address most @smharper and @nelsonag comments on #1152

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This commit is contained in:
Paul Romano 2019-01-31 22:04:45 -06:00
parent f890ba518a
commit 380d23b0e4
4 changed files with 77 additions and 77 deletions
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2
include/openmc/cross_sections.h
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@ -61,7 +61,7 @@ void read_cross_sections_xml();
//! Load nuclide and thermal scattering data from HDF5 files
//!
//
//! \param[in] nuc_temps Temperatures for each nuclide in [K]
//! \param[in] thermal_temps Temperatures for each thermal scattering table in [K]
void read_ce_cross_sections(const std::vector<std::vector<double>>& nuc_temps,

1
include/openmc/summary.h
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@ -11,7 +11,6 @@ void write_nuclides(hid_t file);
void write_geometry(hid_t file);
void write_materials(hid_t file);
}
#endif // OPENMC_SUMMARY_H

150
src/cross_sections.cpp
View file

@ -189,88 +189,89 @@ read_ce_cross_sections(const std::vector<std::vector<double>>& nuc_temps,
// all key/value pairs in nuclide_map
std::string& name = nuclide_names[i_nuc];
if (already_read.find(name) == already_read.end()) {
LibraryKey key {Library::Type::neutron, name};
int idx = data::library_map[key];
std::string& filename = data::libraries[idx].path_;
// If we've already read this nuclide, skip it
if (already_read.find(name) != already_read.end()) continue;
write_message("Reading " + name + " from " + filename, 6);
LibraryKey key {Library::Type::neutron, name};
int idx = data::library_map[key];
std::string& filename = data::libraries[idx].path_;
// Open file and make sure version is sufficient
hid_t file_id = file_open(filename, 'r');
check_data_version(file_id);
write_message("Reading " + name + " from " + filename, 6);
// Read nuclide data from HDF5
hid_t group = open_group(file_id, name.c_str());
int i_nuclide = data::nuclides.size();
data::nuclides.push_back(std::make_unique<Nuclide>(
group, nuc_temps[i_nuc], i_nuclide));
// Open file and make sure version is sufficient
hid_t file_id = file_open(filename, 'r');
check_data_version(file_id);
// Read from Fortran too
nuclide_from_hdf5(group, data::nuclides.back().get(),
&nuc_temps[i_nuc].front(), nuc_temps[i_nuc].size(), i_nuclide + 1);
// Read nuclide data from HDF5
hid_t group = open_group(file_id, name.c_str());
int i_nuclide = data::nuclides.size();
data::nuclides.push_back(std::make_unique<Nuclide>(
group, nuc_temps[i_nuc], i_nuclide));
close_group(group);
file_close(file_id);
// Read from Fortran too
nuclide_from_hdf5(group, data::nuclides.back().get(),
&nuc_temps[i_nuc].front(), nuc_temps[i_nuc].size(), i_nuclide + 1);
// Determine if minimum/maximum energy for this nuclide is greater/less
// than the previous
if (data::nuclides[i_nuclide]->grid_.size() >= 1) {
// TODO: off-by-one
int neutron = static_cast<int>(ParticleType::neutron) - 1;
data::energy_min[neutron] = std::max(data::energy_min[neutron],
data::nuclides[i_nuclide]->grid_[0].energy.front());
data::energy_max[neutron] = std::min(data::energy_max[neutron],
data::nuclides[i_nuclide]->grid_[0].energy.back());
}
close_group(group);
file_close(file_id);
// Add name and alias to dictionary
already_read.insert(name);
// Check if elemental data has been read, if needed
int pos = name.find_first_of("0123456789");
std::string element = name.substr(0, pos);
if (settings::photon_transport) {
if (already_read.find(element) == already_read.end()) {
// Read photon interaction data from HDF5 photon library
LibraryKey key {Library::Type::photon, element};
int idx = data::library_map[key];
std::string& filename = data::libraries[idx].path_;
int i_element = data::element_map[element];
write_message("Reading " + element + " from " + filename, 6);
// Open file and make sure version is sufficient
hid_t file_id = file_open(filename, 'r');
check_data_version(file_id);
// Read element data from HDF5
hid_t group = open_group(file_id, element.c_str());
data::elements.emplace_back(group, data::elements.size());
// Determine if minimum/maximum energy for this element is greater/less than
// the previous
const auto& elem {data::elements.back()};
if (elem.energy_.size() >= 1) {
// TODO: off-by-one
int photon = static_cast<int>(ParticleType::photon) - 1;
int n = elem.energy_.size();
data::energy_min[photon] = std::max(data::energy_min[photon],
std::exp(elem.energy_(1)));
data::energy_max[photon] = std::min(data::energy_max[photon],
std::exp(elem.energy_(n - 1)));
}
close_group(group);
file_close(file_id);
// Add element to set
already_read.insert(element);
}
}
// Read multipole file into the appropriate entry on the nuclides array
if (settings::temperature_multipole) read_multipole_data(i_nuclide);
// Determine if minimum/maximum energy for this nuclide is greater/less
// than the previous
if (data::nuclides[i_nuclide]->grid_.size() >= 1) {
// TODO: off-by-one
int neutron = static_cast<int>(ParticleType::neutron) - 1;
data::energy_min[neutron] = std::max(data::energy_min[neutron],
data::nuclides[i_nuclide]->grid_[0].energy.front());
data::energy_max[neutron] = std::min(data::energy_max[neutron],
data::nuclides[i_nuclide]->grid_[0].energy.back());
}
// Add name and alias to dictionary
already_read.insert(name);
// Check if elemental data has been read, if needed
int pos = name.find_first_of("0123456789");
std::string element = name.substr(0, pos);
if (settings::photon_transport) {
if (already_read.find(element) == already_read.end()) {
// Read photon interaction data from HDF5 photon library
LibraryKey key {Library::Type::photon, element};
int idx = data::library_map[key];
std::string& filename = data::libraries[idx].path_;
int i_element = data::element_map[element];
write_message("Reading " + element + " from " + filename, 6);
// Open file and make sure version is sufficient
hid_t file_id = file_open(filename, 'r');
check_data_version(file_id);
// Read element data from HDF5
hid_t group = open_group(file_id, element.c_str());
data::elements.emplace_back(group, data::elements.size());
// Determine if minimum/maximum energy for this element is greater/less than
// the previous
const auto& elem {data::elements.back()};
if (elem.energy_.size() >= 1) {
// TODO: off-by-one
int photon = static_cast<int>(ParticleType::photon) - 1;
int n = elem.energy_.size();
data::energy_min[photon] = std::max(data::energy_min[photon],
std::exp(elem.energy_(1)));
data::energy_max[photon] = std::min(data::energy_max[photon],
std::exp(elem.energy_(n - 1)));
}
close_group(group);
file_close(file_id);
// Add element to set
already_read.insert(element);
}
}
// Read multipole file into the appropriate entry on the nuclides array
if (settings::temperature_multipole) read_multipole_data(i_nuclide);
}
}
@ -312,6 +313,7 @@ read_ce_cross_sections(const std::vector<std::vector<double>>& nuc_temps,
for (auto& nuc : data::nuclides) {
nuc->init_grid();
}
// TODO: off-by-one
int neutron = static_cast<int>(ParticleType::neutron) - 1;
simulation::log_spacing = std::log(data::energy_max[neutron] /
data::energy_min[neutron]) / settings::n_log_bins;

1
src/material.cpp
View file

@ -723,7 +723,6 @@ void Material::calculate_neutron_xs(const Particle& p) const
double atom_density = atom_density_(i);
// Add contributions to cross sections
const auto& macro {simulation::material_xs};
simulation::material_xs.total += atom_density * micro.total;
simulation::material_xs.absorption += atom_density * micro.absorption;
simulation::material_xs.fission += atom_density * micro.fission;