mirror of
https://github.com/openmc-dev/openmc.git
synced 2026-07-27 05:35:49 -04:00
Introduce openmc.lib.TemporarySession context manager (#3475)
This commit is contained in:
Paul Romano
GitHub
parent
ecfb666db7
commit
eb74d497d2
9 changed files with 160 additions and 76 deletions
|
|
@ -89,6 +89,7 @@ Classes
|
|||
SphericalMesh
|
||||
SurfaceFilter
|
||||
Tally
|
||||
TemporarySession
|
||||
UniverseFilter
|
||||
UnstructuredMesh
|
||||
WeightFilter
|
||||
|
|
|
|||
|
|
@ -11,6 +11,7 @@ import re
|
|||
from collections import defaultdict, namedtuple
|
||||
from collections.abc import Mapping, Iterable
|
||||
from numbers import Real, Integral
|
||||
from pathlib import Path
|
||||
from warnings import warn
|
||||
from typing import List
|
||||
|
||||
|
|
@ -278,7 +279,6 @@ class Chain:
|
|||
"""Number of nuclides in chain."""
|
||||
return len(self.nuclides)
|
||||
|
||||
|
||||
@property
|
||||
def stable_nuclides(self) -> List[Nuclide]:
|
||||
"""List of stable nuclides available in the chain"""
|
||||
|
|
@ -298,6 +298,7 @@ class Chain:
|
|||
Nuclide to add
|
||||
|
||||
"""
|
||||
_invalidate_chain_cache(self)
|
||||
self.nuclide_dict[nuclide.name] = len(self.nuclides)
|
||||
self.nuclides.append(nuclide)
|
||||
|
||||
|
|
@ -463,7 +464,6 @@ class Chain:
|
|||
nuclide.add_reaction('fission', None, q_value, 1.0)
|
||||
fissionable = True
|
||||
|
||||
|
||||
if fissionable:
|
||||
if parent in fpy_data:
|
||||
fpy = fpy_data[parent]
|
||||
|
|
@ -558,6 +558,9 @@ class Chain:
|
|||
nuc = Nuclide.from_xml(nuclide_elem, root, this_q)
|
||||
chain.add_nuclide(nuc)
|
||||
|
||||
# Store path of XML file (used for handling cache invalidation)
|
||||
chain._xml_path = str(Path(filename).resolve())
|
||||
|
||||
return chain
|
||||
|
||||
def export_to_xml(self, filename):
|
||||
|
|
@ -888,7 +891,7 @@ class Chain:
|
|||
--------
|
||||
:meth:`get_branch_ratios`
|
||||
"""
|
||||
|
||||
_invalidate_chain_cache(self)
|
||||
# Store some useful information through the validation stage
|
||||
|
||||
sums = {}
|
||||
|
|
@ -1027,6 +1030,7 @@ class Chain:
|
|||
|
||||
@fission_yields.setter
|
||||
def fission_yields(self, yields):
|
||||
_invalidate_chain_cache(self)
|
||||
if yields is not None:
|
||||
if isinstance(yields, Mapping):
|
||||
yields = [yields]
|
||||
|
|
@ -1249,6 +1253,10 @@ class Chain:
|
|||
return found
|
||||
|
||||
|
||||
# A global cache for Chain objects
|
||||
_CHAIN_CACHE = {}
|
||||
|
||||
|
||||
def _get_chain(
|
||||
chain_file: PathLike | Chain | None = None,
|
||||
fission_q: dict | None = None
|
||||
|
|
@ -1269,16 +1277,39 @@ def _get_chain(
|
|||
Chain
|
||||
Depletion chain instance.
|
||||
"""
|
||||
# If chain_file is already a Chain, return it directly
|
||||
if isinstance(chain_file, Chain):
|
||||
return chain_file
|
||||
elif isinstance(chain_file, PathLike | None):
|
||||
if chain_file is None:
|
||||
chain_file = openmc.config.get('chain_file')
|
||||
if 'chain_file' not in openmc.config:
|
||||
raise DataError(
|
||||
"No depletion chain specified and could not find depletion "
|
||||
"chain in openmc.config['chain_file']"
|
||||
)
|
||||
return Chain.from_xml(chain_file, fission_q)
|
||||
else:
|
||||
|
||||
# Resolve chain_file based on config if None
|
||||
if chain_file is None:
|
||||
chain_file = openmc.config.get('chain_file')
|
||||
if 'chain_file' not in openmc.config:
|
||||
raise DataError(
|
||||
"No depletion chain specified and could not find depletion "
|
||||
"chain in openmc.config['chain_file']"
|
||||
)
|
||||
elif not isinstance(chain_file, PathLike):
|
||||
raise TypeError("chain_file must be path-like, a Chain, or None")
|
||||
|
||||
# Determine the key for the cache, which consists of the absolute path, the
|
||||
# file modification time, the file size, and the fission Q values.
|
||||
chain_path = Path(chain_file).resolve()
|
||||
stat_result = chain_path.stat()
|
||||
fq_tuple = tuple(sorted(fission_q.items())) if fission_q else ()
|
||||
key = (chain_path, stat_result.st_mtime, stat_result.st_size, fq_tuple)
|
||||
|
||||
# Check the global cache. If not cached, load the chain from XML and store
|
||||
global _CHAIN_CACHE
|
||||
if key not in _CHAIN_CACHE:
|
||||
_CHAIN_CACHE[key] = Chain.from_xml(chain_path, fission_q)
|
||||
return _CHAIN_CACHE[key]
|
||||
|
||||
|
||||
def _invalidate_chain_cache(chain):
|
||||
"""Invalidate the cache for a specific Chain (when it is modifed)."""
|
||||
if hasattr(chain, '_xml_path'):
|
||||
# Remove all entries with the same path as self._xml_path
|
||||
for key in list(_CHAIN_CACHE.keys()):
|
||||
if str(key[0]) == chain._xml_path:
|
||||
del _CHAIN_CACHE[key]
|
||||
|
|
|
|||
|
|
@ -14,7 +14,6 @@ import pandas as pd
|
|||
import numpy as np
|
||||
|
||||
from openmc.checkvalue import check_type, check_value, check_iterable_type, PathLike
|
||||
from openmc.utility_funcs import change_directory
|
||||
from openmc import StatePoint
|
||||
from openmc.mgxs import GROUP_STRUCTURES
|
||||
from openmc.data import REACTION_MT
|
||||
|
|
@ -286,6 +285,10 @@ class MicroXS:
|
|||
sections available. MicroXS entry will be 0 if the nuclide cross section
|
||||
is not found.
|
||||
|
||||
It is recommended to make repeated calls to this method within a context
|
||||
manager using the :class:`openmc.lib.TemporarySession` class to avoid
|
||||
re-initializing OpenMC and loading cross sections each time.
|
||||
|
||||
.. versionadded:: 0.15.0
|
||||
|
||||
Parameters
|
||||
|
|
@ -349,37 +352,23 @@ class MicroXS:
|
|||
# Create 3D array for microscopic cross sections
|
||||
microxs_arr = np.zeros((len(nuclides), len(mts), 1))
|
||||
|
||||
# Create a material with all nuclides
|
||||
mat_all_nucs = openmc.Material()
|
||||
for nuc in nuclides:
|
||||
if nuc in nuclides_with_data:
|
||||
mat_all_nucs.add_nuclide(nuc, 1.0)
|
||||
mat_all_nucs.set_density("atom/b-cm", 1.0)
|
||||
def compute_microxs():
|
||||
# For each nuclide and reaction, compute the flux-averaged xs
|
||||
for nuc_index, nuc in enumerate(nuclides):
|
||||
if nuc not in nuclides_with_data:
|
||||
continue
|
||||
lib_nuc = openmc.lib.load_nuclide(nuc)
|
||||
for mt_index, mt in enumerate(mts):
|
||||
microxs_arr[nuc_index, mt_index, 0] = lib_nuc.collapse_rate(
|
||||
mt, temperature, energies, multigroup_flux
|
||||
)
|
||||
|
||||
# Create simple model containing the above material
|
||||
surf1 = openmc.Sphere(boundary_type="vacuum")
|
||||
surf1_cell = openmc.Cell(fill=mat_all_nucs, region=-surf1)
|
||||
model = openmc.Model()
|
||||
model.geometry = openmc.Geometry([surf1_cell])
|
||||
model.settings = openmc.Settings(
|
||||
particles=1, batches=1, output={'summary': False})
|
||||
|
||||
with change_directory(tmpdir=True):
|
||||
# Export model within temporary directory
|
||||
model.export_to_model_xml()
|
||||
|
||||
with openmc.lib.run_in_memory(**init_kwargs):
|
||||
# For each nuclide and reaction, compute the flux-averaged
|
||||
# cross section
|
||||
for nuc_index, nuc in enumerate(nuclides):
|
||||
if nuc not in nuclides_with_data:
|
||||
continue
|
||||
lib_nuc = openmc.lib.nuclides[nuc]
|
||||
for mt_index, mt in enumerate(mts):
|
||||
xs = lib_nuc.collapse_rate(
|
||||
mt, temperature, energies, multigroup_flux
|
||||
)
|
||||
microxs_arr[nuc_index, mt_index, 0] = xs
|
||||
# Compute microscopic cross sections within a temporary session
|
||||
if not openmc.lib.is_initialized:
|
||||
with openmc.lib.TemporarySession(**init_kwargs):
|
||||
compute_microxs()
|
||||
else:
|
||||
compute_microxs()
|
||||
|
||||
return cls(microxs_arr, nuclides, reactions)
|
||||
|
||||
|
|
|
|||
|
|
@ -4,7 +4,9 @@ from ctypes import (c_bool, c_int, c_int32, c_int64, c_double, c_char_p,
|
|||
c_uint64, c_size_t)
|
||||
import sys
|
||||
import os
|
||||
from pathlib import Path
|
||||
from random import getrandbits
|
||||
from tempfile import TemporaryDirectory
|
||||
|
||||
import numpy as np
|
||||
from numpy.ctypeslib import as_array
|
||||
|
|
@ -617,6 +619,69 @@ def run_in_memory(**kwargs):
|
|||
finalize()
|
||||
|
||||
|
||||
class TemporarySession:
|
||||
"""Context manager for running via openmc.lib in a temporary directory.
|
||||
|
||||
This class is useful for accessing functionality from openmc.lib without
|
||||
polluting your current working directory with OpenMC files. It is used
|
||||
internally as a persistent session to avoid loading cross sections multiple
|
||||
times.
|
||||
|
||||
Parameters
|
||||
----------
|
||||
model : openmc.Model, optional
|
||||
OpenMC model to use for the session. If None, a minimal working model is
|
||||
created.
|
||||
**init_kwargs
|
||||
Keyword arguments to pass to :func:`openmc.lib.init`.
|
||||
|
||||
Attributes
|
||||
----------
|
||||
model : openmc.Model
|
||||
The OpenMC model used for the session.
|
||||
|
||||
"""
|
||||
def __init__(self, model=None, **init_kwargs):
|
||||
self.init_kwargs = init_kwargs
|
||||
if model is None:
|
||||
surf = openmc.Sphere(boundary_type="vacuum")
|
||||
cell = openmc.Cell(region=-surf)
|
||||
model = openmc.Model()
|
||||
model.geometry = openmc.Geometry([cell])
|
||||
model.settings = openmc.Settings(
|
||||
particles=1, batches=1, output={'summary': False})
|
||||
self.model = model
|
||||
|
||||
def __enter__(self):
|
||||
"""Initialize the OpenMC library in a temporary directory."""
|
||||
# Make sure OpenMC is not already initialized
|
||||
if openmc.lib.is_initialized:
|
||||
raise RuntimeError("openmc.lib is already initialized.")
|
||||
|
||||
# Store original working directory
|
||||
self.orig_dir = Path.cwd()
|
||||
|
||||
# Set up temporary directory
|
||||
self.tmp_dir = TemporaryDirectory()
|
||||
working_dir = Path(self.tmp_dir.name)
|
||||
working_dir.mkdir(parents=True, exist_ok=True)
|
||||
os.chdir(working_dir)
|
||||
|
||||
# Export model and initialize OpenMC
|
||||
self.model.export_to_model_xml()
|
||||
openmc.lib.init(**self.init_kwargs)
|
||||
|
||||
return self
|
||||
|
||||
def __exit__(self, exc_type, exc_value, traceback):
|
||||
"""Finalize the OpenMC library and clean up temporary directory."""
|
||||
try:
|
||||
openmc.lib.finalize()
|
||||
finally:
|
||||
os.chdir(self.orig_dir)
|
||||
self.tmp_dir.cleanup()
|
||||
|
||||
|
||||
class _DLLGlobal:
|
||||
"""Data descriptor that exposes global variables from libopenmc."""
|
||||
def __init__(self, ctype, name):
|
||||
|
|
|
|||
|
|
@ -40,8 +40,14 @@ def load_nuclide(name):
|
|||
name : str
|
||||
Name of the nuclide, e.g. 'U235'
|
||||
|
||||
Returns
|
||||
-------
|
||||
Nuclide
|
||||
The class:`Nuclide` that was just loaded.
|
||||
|
||||
"""
|
||||
_dll.openmc_load_nuclide(name.encode(), None, 0)
|
||||
return nuclides[name]
|
||||
|
||||
|
||||
class Nuclide(_FortranObject):
|
||||
|
|
|
|||
|
|
@ -400,31 +400,30 @@ class MeshBase(IDManagerMixin, ABC):
|
|||
"""
|
||||
import openmc.lib
|
||||
|
||||
with change_directory(tmpdir=True):
|
||||
# In order to get mesh into model, we temporarily replace the
|
||||
# tallies with a single mesh tally using the current mesh
|
||||
original_tallies = model.tallies
|
||||
new_tally = openmc.Tally()
|
||||
new_tally.filters = [openmc.MeshFilter(self)]
|
||||
new_tally.scores = ['flux']
|
||||
model.tallies = [new_tally]
|
||||
# In order to get mesh into model, we temporarily replace the
|
||||
# tallies with a single mesh tally using the current mesh
|
||||
original_tallies = model.tallies
|
||||
new_tally = openmc.Tally()
|
||||
new_tally.filters = [openmc.MeshFilter(self)]
|
||||
new_tally.scores = ['flux']
|
||||
model.tallies = [new_tally]
|
||||
|
||||
# Export model to XML
|
||||
model.export_to_model_xml()
|
||||
# Set default arguments
|
||||
kwargs.setdefault('output', True)
|
||||
if 'args' in kwargs:
|
||||
kwargs['args'] = ['-c'] + kwargs['args']
|
||||
kwargs.setdefault('args', ['-c'])
|
||||
|
||||
# Get material volume fractions
|
||||
kwargs.setdefault('output', True)
|
||||
if 'args' in kwargs:
|
||||
kwargs['args'] = ['-c'] + kwargs['args']
|
||||
kwargs.setdefault('args', ['-c'])
|
||||
openmc.lib.init(**kwargs)
|
||||
with openmc.lib.TemporarySession(model, **kwargs):
|
||||
# Get mesh from single tally
|
||||
mesh = openmc.lib.tallies[new_tally.id].filters[0].mesh
|
||||
|
||||
# Compute material volumes
|
||||
volumes = mesh.material_volumes(
|
||||
n_samples, max_materials, output=kwargs['output'])
|
||||
openmc.lib.finalize()
|
||||
|
||||
# Restore original tallies
|
||||
model.tallies = original_tallies
|
||||
# Restore original tallies
|
||||
model.tallies = original_tallies
|
||||
|
||||
return volumes
|
||||
|
||||
|
|
|
|||
|
|
@ -1041,10 +1041,6 @@ class WeightWindowsList(list):
|
|||
# Get absolute path before moving to temporary directory
|
||||
path = Path(path).resolve()
|
||||
|
||||
with change_directory(tmpdir=True):
|
||||
# Write the model to an XML file
|
||||
model.export_to_model_xml()
|
||||
|
||||
# Load the model with openmc.lib and then export it to an HDF5 file
|
||||
with openmc.lib.run_in_memory(**init_kwargs):
|
||||
openmc.lib.export_weight_windows(path)
|
||||
# Load the model with openmc.lib and then export it to an HDF5 file
|
||||
with openmc.lib.TemporarySession(model, **init_kwargs):
|
||||
openmc.lib.export_weight_windows(path)
|
||||
|
|
|
|||
|
|
@ -1114,7 +1114,7 @@ extern "C" size_t nuclides_size()
|
|||
extern "C" int openmc_load_nuclide(const char* name, const double* temps, int n)
|
||||
{
|
||||
if (data::nuclide_map.find(name) == data::nuclide_map.end() ||
|
||||
data::nuclide_map.at(name) >= data::elements.size()) {
|
||||
data::nuclide_map.at(name) >= data::nuclides.size()) {
|
||||
LibraryKey key {Library::Type::neutron, name};
|
||||
const auto& it = data::library_map.find(key);
|
||||
if (it == data::library_map.end()) {
|
||||
|
|
@ -1215,7 +1215,6 @@ extern "C" int openmc_nuclide_collapse_rate(int index, int MT,
|
|||
*xs = data::nuclides[index]->collapse_rate(
|
||||
MT, temperature, {energy, energy + n + 1}, {flux, flux + n});
|
||||
} catch (const std::out_of_range& e) {
|
||||
fmt::print("Caught error\n");
|
||||
set_errmsg(e.what());
|
||||
return OPENMC_E_OUT_OF_BOUNDS;
|
||||
}
|
||||
|
|
|
|||
|
|
@ -310,8 +310,7 @@ def test_capture_branch_infer_ground():
|
|||
# Create nuclide to be added into the chain
|
||||
xe136m = nuclide.Nuclide("Xe136_m1")
|
||||
|
||||
chain.nuclides.append(xe136m)
|
||||
chain.nuclide_dict[xe136m.name] = len(chain.nuclides) - 1
|
||||
chain.add_nuclide(xe136m)
|
||||
|
||||
chain.set_branch_ratios(infer_br, "(n,gamma)")
|
||||
|
||||
|
|
@ -327,8 +326,7 @@ def test_capture_branch_no_rxn():
|
|||
|
||||
u5m = nuclide.Nuclide("U235_m1")
|
||||
|
||||
chain.nuclides.append(u5m)
|
||||
chain.nuclide_dict[u5m.name] = len(chain.nuclides) - 1
|
||||
chain.add_nuclide(u5m)
|
||||
|
||||
with pytest.raises(AttributeError, match="U234"):
|
||||
chain.set_branch_ratios(u4br)
|
||||
|
|
|
|||
Loading…
Add table
Add a link
Reference in a new issue