from collections.abc import Mapping from ctypes import c_int, c_double, c_char_p, POINTER, c_size_t from weakref import WeakValueDictionary from numpy.ctypeslib import ndpointer import numpy as np from ..exceptions import DataError, AllocationError from . import _dll from .core import _FortranObject from .error import _error_handler __all__ = ['Nuclide', 'nuclides', 'load_nuclide'] _array_1d_dble = ndpointer(dtype=np.double, ndim=1, flags='CONTIGUOUS') # Nuclide functions _dll.openmc_get_nuclide_index.argtypes = [c_char_p, POINTER(c_int)] _dll.openmc_get_nuclide_index.restype = c_int _dll.openmc_get_nuclide_index.errcheck = _error_handler _dll.openmc_load_nuclide.argtypes = [c_char_p, POINTER(c_double), c_int] _dll.openmc_load_nuclide.restype = c_int _dll.openmc_load_nuclide.errcheck = _error_handler _dll.openmc_nuclide_name.argtypes = [c_int, POINTER(c_char_p)] _dll.openmc_nuclide_name.restype = c_int _dll.openmc_nuclide_name.errcheck = _error_handler _dll.openmc_nuclide_collapse_rate.argtypes = [c_int, c_int, c_double, _array_1d_dble, _array_1d_dble, c_int, POINTER(c_double)] _dll.openmc_nuclide_collapse_rate.restype = c_int _dll.openmc_nuclide_collapse_rate.errcheck = _error_handler _dll.nuclides_size.restype = c_size_t def load_nuclide(name): """Load cross section data for a nuclide. Parameters ---------- 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): """Nuclide stored internally. This class exposes a nuclide that is stored internally in the OpenMC solver. To obtain a view of a nuclide with a given name, use the :data:`openmc.lib.nuclides` mapping. Parameters ---------- index : int Index in the `nuclides` array. Attributes ---------- name : str Name of the nuclide, e.g. 'U235' """ __instances = WeakValueDictionary() def __new__(cls, *args): if args not in cls.__instances: instance = super().__new__(cls) cls.__instances[args] = instance return cls.__instances[args] def __init__(self, index): self._index = index @property def name(self): name = c_char_p() _dll.openmc_nuclide_name(self._index, name) return name.value.decode() def collapse_rate(self, MT, temperature, energy, flux): """Calculate reaction rate based on group-wise flux distribution Parameters ---------- MT : int ENDF MT value of the desired reaction temperature : float Temperature in [K] at which to evaluate cross sections energy : iterable of float Energy group boundaries in [eV] flux : iterable of float Flux in each energy group (not normalized per eV) Returns ------- float Reaction rate """ energy = np.asarray(energy, dtype=float) flux = np.asarray(flux, dtype=float) xs = c_double() _dll.openmc_nuclide_collapse_rate(self._index, MT, temperature, energy, flux, len(flux), xs) return xs.value class _NuclideMapping(Mapping): """Provide mapping from nuclide name to index in nuclides array.""" def __getitem__(self, key): index = c_int() try: _dll.openmc_get_nuclide_index(key.encode(), index) except (DataError, AllocationError) as e: # __contains__ expects a KeyError to work correctly raise KeyError(str(e)) return Nuclide(index.value) def __iter__(self): for i in range(len(self)): yield Nuclide(i).name def __len__(self): return _dll.nuclides_size() def __repr__(self): return repr(dict(self)) nuclides = _NuclideMapping()