mirror of
https://github.com/openmc-dev/openmc.git
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137 lines
3.9 KiB
Python
137 lines
3.9 KiB
Python
from collections.abc import Mapping
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from ctypes import c_int, c_double, c_char_p, POINTER, c_size_t
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from weakref import WeakValueDictionary
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from numpy.ctypeslib import ndpointer
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import numpy as np
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from ..exceptions import DataError, AllocationError
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from . import _dll
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from .core import _FortranObject
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from .error import _error_handler
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__all__ = ['Nuclide', 'nuclides', 'load_nuclide']
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_array_1d_dble = ndpointer(dtype=np.double, ndim=1, flags='CONTIGUOUS')
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# Nuclide functions
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_dll.openmc_get_nuclide_index.argtypes = [c_char_p, POINTER(c_int)]
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_dll.openmc_get_nuclide_index.restype = c_int
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_dll.openmc_get_nuclide_index.errcheck = _error_handler
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_dll.openmc_load_nuclide.argtypes = [c_char_p, POINTER(c_double), c_int]
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_dll.openmc_load_nuclide.restype = c_int
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_dll.openmc_load_nuclide.errcheck = _error_handler
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_dll.openmc_nuclide_name.argtypes = [c_int, POINTER(c_char_p)]
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_dll.openmc_nuclide_name.restype = c_int
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_dll.openmc_nuclide_name.errcheck = _error_handler
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_dll.openmc_nuclide_collapse_rate.argtypes = [c_int, c_int, c_double,
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_array_1d_dble, _array_1d_dble, c_int, POINTER(c_double)]
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_dll.openmc_nuclide_collapse_rate.restype = c_int
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_dll.openmc_nuclide_collapse_rate.errcheck = _error_handler
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_dll.nuclides_size.restype = c_size_t
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def load_nuclide(name):
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"""Load cross section data for a nuclide.
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Parameters
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----------
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name : str
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Name of the nuclide, e.g. 'U235'
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Returns
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-------
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Nuclide
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The class:`Nuclide` that was just loaded.
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"""
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_dll.openmc_load_nuclide(name.encode(), None, 0)
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return nuclides[name]
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class Nuclide(_FortranObject):
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"""Nuclide stored internally.
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This class exposes a nuclide that is stored internally in the OpenMC
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solver. To obtain a view of a nuclide with a given name, use the
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:data:`openmc.lib.nuclides` mapping.
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Parameters
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----------
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index : int
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Index in the `nuclides` array.
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Attributes
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----------
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name : str
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Name of the nuclide, e.g. 'U235'
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"""
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__instances = WeakValueDictionary()
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def __new__(cls, *args):
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if args not in cls.__instances:
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instance = super().__new__(cls)
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cls.__instances[args] = instance
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return cls.__instances[args]
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def __init__(self, index):
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self._index = index
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@property
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def name(self):
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name = c_char_p()
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_dll.openmc_nuclide_name(self._index, name)
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return name.value.decode()
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def collapse_rate(self, MT, temperature, energy, flux):
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"""Calculate reaction rate based on group-wise flux distribution
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Parameters
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----------
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MT : int
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ENDF MT value of the desired reaction
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temperature : float
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Temperature in [K] at which to evaluate cross sections
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energy : iterable of float
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Energy group boundaries in [eV]
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flux : iterable of float
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Flux in each energy group (not normalized per eV)
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Returns
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-------
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float
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Reaction rate
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"""
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energy = np.asarray(energy, dtype=float)
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flux = np.asarray(flux, dtype=float)
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xs = c_double()
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_dll.openmc_nuclide_collapse_rate(self._index, MT, temperature, energy,
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flux, len(flux), xs)
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return xs.value
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class _NuclideMapping(Mapping):
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"""Provide mapping from nuclide name to index in nuclides array."""
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def __getitem__(self, key):
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index = c_int()
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try:
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_dll.openmc_get_nuclide_index(key.encode(), index)
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except (DataError, AllocationError) as e:
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# __contains__ expects a KeyError to work correctly
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raise KeyError(str(e))
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return Nuclide(index.value)
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def __iter__(self):
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for i in range(len(self)):
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yield Nuclide(i).name
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def __len__(self):
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return _dll.nuclides_size()
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def __repr__(self):
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return repr(dict(self))
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nuclides = _NuclideMapping()
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