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Small fixes and formatting changes

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This commit is contained in:
Paul Romano 2022-12-22 10:57:11 -06:00
parent 28521c8384
commit 987293cfff
6 changed files with 57 additions and 53 deletions
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8
docs/source/io_formats/settings.rst
View file

@ -768,10 +768,10 @@ certain surfaces and write out the source bank in a separate file called
*Default*: None
:mcpl:
An optional boolean which indicates if the banked particles should
be written to a file in the MCPL-format (documented in mcpl_).
instead of the native hdf5-based format.If activated the output
output file name is altered to ``surface_source.mcpl``
An optional boolean which indicates if the banked particles should be
written to a file in the MCPL-format (documented in mcpl_). instead of the
native HDF5-based format. If activated the output file name is changed to
``surface_source.mcpl``.
*Default*: false

3
include/openmc/state_point.h
View file

@ -26,7 +26,8 @@ void restart_set_keff();
void write_unstructured_mesh_results();
#ifdef OPENMC_MCPL
void write_mcpl_source_point(const char* filename, bool surf_source_bank = false);
void write_mcpl_source_point(
const char* filename, bool surf_source_bank = false);
void write_mcpl_source_bank(mcpl_outfile_t file_id, bool surf_source_bank);
#endif

2
openmc/settings.py
View file

@ -1349,7 +1349,7 @@ class Settings:
elif key in ('max_particles'):
value = int(value)
elif key == 'mcpl':
value = True
value = value in ('true', '1')
self.surf_source_write[key] = value
def _confidence_intervals_from_xml_element(self, root):

17
src/settings.cpp
View file

@ -432,12 +432,15 @@ void read_settings_xml()
if (check_for_node(node, "file")) {
auto path = get_node_value(node, "file", false, true);
#ifdef OPENMC_MCPL
if ( (path.size() >= 5 && path.compare(path.size()-5,5,".mcpl")==0 ) ||
(path.size() >= 8 && path.compare(path.size()-8,8,".mcpl.gz")==0 ) ) {
model::external_sources.push_back(make_unique<FileSource>(mcpl_open_file(path.c_str())));
} else
#endif
if (ends_with(path, ".mcpl") || ends_with(path, ".mcpl.gz")) {
model::external_sources.push_back(
make_unique<FileSource>(mcpl_open_file(path.c_str())));
} else {
model::external_sources.push_back(make_unique<FileSource>(path));
}
#else
model::external_sources.push_back(make_unique<FileSource>(path));
#endif
} else if (check_for_node(node, "library")) {
// Get shared library path and parameters
auto path = get_node_value(node, "library", false, true);
@ -689,8 +692,8 @@ void read_settings_xml()
std::stoll(get_node_value(node_ssw, "max_particles"));
}
#ifdef OPENMC_MCPL
if(check_for_node(node_ssw, "mcpl")){
surf_mcpl_write=true;
if (check_for_node(node_ssw, "mcpl")) {
surf_mcpl_write = true;
}
#endif
}

10
src/simulation.cpp
View file

@ -390,7 +390,7 @@ void finalize_batch()
if (settings::run_mode == RunMode::EIGENVALUE) {
// Write out a separate source point if it's been specified for this batch
#ifdef OPENMC_MCPL
if(! settings::source_mcpl_write) {
if (!settings::source_mcpl_write) {
#endif
if (contains(settings::sourcepoint_batch, simulation::current_batch) &&
settings::source_write && settings::source_separate) {
@ -405,8 +405,8 @@ void finalize_batch()
#ifdef OPENMC_MCPL
} else {
if (contains(settings::sourcepoint_batch, simulation::current_batch) &&
settings::source_mcpl_write && settings::source_separate) {
write_mcpl_source_point(nullptr);
settings::source_mcpl_write && settings::source_separate) {
write_mcpl_source_point(nullptr);
}
// Write a continously-overwritten source point if requested.
@ -425,12 +425,12 @@ void finalize_batch()
write_source_point(filename.c_str(), true);
}
#ifdef OPENMC_MCPL
if(settings::surf_mcpl_write && simulation::current_batch == settings::n_batches){
if (settings::surf_mcpl_write &&
simulation::current_batch == settings::n_batches) {
auto filename = settings::path_output + "surface_source.mcpl";
write_mcpl_source_point(filename.c_str(), true);
}
#endif
}
void initialize_generation()

70
src/state_point.cpp
View file

@ -604,7 +604,7 @@ void write_source_point(const char* filename, bool surf_source_bank)
}
#ifdef OPENMC_MCPL
void write_mcpl_source_point(const char *filename, bool surf_source_bank)
void write_mcpl_source_point(const char* filename, bool surf_source_bank)
{
std::string filename_;
if (filename) {
@ -622,21 +622,21 @@ void write_mcpl_source_point(const char *filename, bool surf_source_bank)
std::string line;
if (mpi::master) {
file_id = mcpl_create_outfile(filename_.c_str());
if (VERSION_DEV){
line=fmt::format("OpenMC {0}.{1}.{2}-development",VERSION_MAJOR,VERSION_MINOR,VERSION_RELEASE);
if (VERSION_DEV) {
line = fmt::format("OpenMC {0}.{1}.{2}-development", VERSION_MAJOR,
VERSION_MINOR, VERSION_RELEASE);
} else {
line=fmt::format("OpenMC {0}.{1}.{2}",VERSION_MAJOR,VERSION_MINOR,VERSION_RELEASE);
line = fmt::format(
"OpenMC {0}.{1}.{2}", VERSION_MAJOR, VERSION_MINOR, VERSION_RELEASE);
}
mcpl_hdr_set_srcname(file_id,line.c_str());
mcpl_hdr_set_srcname(file_id, line.c_str());
}
write_mcpl_source_bank(file_id, surf_source_bank);
if (mpi::master) {
//change this - this is h5 specific
mcpl_close_outfile(file_id);
}
}
#endif
@ -768,7 +768,7 @@ void write_mcpl_source_bank(mcpl_outfile_t file_id, bool surf_source_bank)
vector<int64_t> surf_source_index_vector;
vector<SourceSite> surf_source_bank_vector;
if(surf_source_bank) {
if (surf_source_bank) {
surf_source_index_vector = calculate_surf_source_size();
dims_size = surf_source_index_vector[mpi::n_procs];
count_size = simulation::surf_source_bank.size();
@ -790,55 +790,56 @@ void write_mcpl_source_bank(mcpl_outfile_t file_id, bool surf_source_bank)
vector<SourceSite> temp_source {source_bank->begin(), source_bank->end()};
#endif
//loop over the other nodes and receive data - then write those.
// loop over the other nodes and receive data - then write those.
for (int i = 0; i < mpi::n_procs; ++i) {
// number of particles for node node i
size_t count[] {
static_cast<size_t>((*bank_index)[i + 1] - (*bank_index)[i])};
#ifdef OPENMC_MPI
if (i>0)
if (i > 0)
MPI_Recv(source_bank->data(), count[0], mpi::source_site, i, i,
mpi::intracomm, MPI_STATUS_IGNORE);
#endif
// now write the source_bank data again.
for (vector<SourceSite>::iterator _site=source_bank->begin(); _site!=source_bank->end();_site++){
for (vector<SourceSite>::iterator _site = source_bank->begin();
_site != source_bank->end(); _site++) {
// particle is now at the iterator
// write it to the mcpl-file
mcpl_particle_t p;
p.position[0]=_site->r.x;
p.position[1]=_site->r.y;
p.position[2]=_site->r.z;
p.position[0] = _site->r.x;
p.position[1] = _site->r.y;
p.position[2] = _site->r.z;
// mcpl requires that the direction vector is unit length
// which is also the case in openmc
p.direction[0]=_site->u.x;
p.direction[1]=_site->u.y;
p.direction[2]=_site->u.z;
p.direction[0] = _site->u.x;
p.direction[1] = _site->u.y;
p.direction[2] = _site->u.z;
// mcpl stores kinetic energy in MeV
p.ekin=_site->E*1e-6;
p.ekin = _site->E * 1e-6;
p.time=_site->time*1e3;
p.time = _site->time * 1e3;
p.weight=_site->wgt;
p.weight = _site->wgt;
switch(_site->particle){
case ParticleType::neutron:
p.pdgcode=2112;
break;
case ParticleType::photon:
p.pdgcode=22;
break;
case ParticleType::electron:
p.pdgcode=11;
break;
case ParticleType::positron:
p.pdgcode=-11;
break;
switch (_site->particle) {
case ParticleType::neutron:
p.pdgcode = 2112;
break;
case ParticleType::photon:
p.pdgcode = 22;
break;
case ParticleType::electron:
p.pdgcode = 11;
break;
case ParticleType::positron:
p.pdgcode = -11;
break;
}
mcpl_add_particle(file_id,&p);
mcpl_add_particle(file_id, &p);
}
}
#ifdef OPENMC_MPI
@ -851,7 +852,6 @@ void write_mcpl_source_bank(mcpl_outfile_t file_id, bool surf_source_bank)
mpi::intracomm);
#endif
}
}
#endif