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windowing

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This commit is contained in:
Jingang Liang 2019-06-25 14:32:23 +00:00
parent 64f9e1aacc
commit c8afc054b7
1 changed files with 50 additions and 8 deletions
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58
openmc/data/multipole.py
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@ -143,7 +143,7 @@ def _vectfit_xs(energy, ce_xs, mts, rtol=1e-3, atol=1e-5, orders=None,
----------
energy : np.ndarray
Energy array
cs_xs : np.ndarray
ce_xs : np.ndarray
Point-wise cross sections to be fitted
mts : Iterable of Integral
Reaction list
@ -371,7 +371,7 @@ def _vectfit_xs(energy, ce_xs, mts, rtol=1e-3, atol=1e-5, orders=None,
def _vectfit_nuclide(endf_file, njoy_error=5e-4, vf_error=1e-3, vf_pieces=None,
log=False, path_out=None, mp_filename=None, **kwargs):
"""Convert point-wise cross section to multipole data via Vector Fitting.
r"""Convert point-wise cross section to multipole data via Vector Fitting.
Parameters
----------
@ -395,7 +395,7 @@ def _vectfit_nuclide(endf_file, njoy_error=5e-4, vf_error=1e-3, vf_pieces=None,
Returns
-------
mp_data
Dictionary with multipole data of the nuclide
Dictionary containing necessary multipole data of the nuclide
"""
@ -536,11 +536,53 @@ def _vectfit_nuclide(endf_file, njoy_error=5e-4, vf_error=1e-3, vf_pieces=None,
return mp_data
def _windowing(mp_data):
"""
def _windowing(mp_data, max_relerr=1e-3, min_abserr=1e-5, n_w=None, n_cf=None,
log=False):
r"""Optimization of the windows from multipole data
Parameters
----------
mp_data : dict
Multipole data
max_relerr : float, optional
Maximum relative error tolerance
min_abserr : float, optional
Minimum absolute error tolerance
n_w : integer, optional
Number of equal-in-mementum spaced energy windows
n_cf : integer, optional
Number of curve fitting order
log : bool, optional
Whether to display log
Returns
-------
openmc.data.WindowedMultipole
Resonant cross sections represented in the windowed multipole
format.
"""
pass
# unpack multipole data
name = mp_data["name"]
awr = mp_data["AWR"]
E_min = mp_data["E_min"]
E_max = mp_data["E_max"]
mp_poles = mp_data["poles"]
mp_residues = mp_data["residues"]
mp_pieces = mp_data["piece_idxs"]
# determine window size and CF order
if n_w is None:
n_w = OPTIMIZED[name][1]
if n_cf is None:
n_cf = OPTIMIZED[name][2]
# make sure window size is not exceeding piece size
if n_w < 2*(len(mp_pieces) - 1):
raise ValueError('Windows number too large.')
# optimize windows one by one
spacing = (sqrt(E_max) - sqrt(E_min))/n_w
class WindowedMultipole(EqualityMixin):
"""Resonant cross sections represented in the windowed multipole format.
@ -843,7 +885,7 @@ class WindowedMultipole(EqualityMixin):
path_out : str, optional
Path to write out data files
**kwargs
Keyword arguments passed to :func:`openmc.data.multipole._vectfit_xs`
Keyword arguments passed to :func:`openmc.data.multipole._windowing`
Returns
-------
@ -860,7 +902,7 @@ class WindowedMultipole(EqualityMixin):
mp_data = pickle.load(f)
# windowing
return _windowing(mp_data, **kwargs)
def _evaluate(self, E, T):
"""Compute scattering, absorption, and fission cross sections.