mirror of
https://github.com/openmc-dev/openmc.git
synced 2026-07-28 06:05:58 -04:00
Merge remote-tracking branch 'upstream/develop' into from_hdf5
This commit is contained in:
Adam Nelson
commit
50670ce559
14 changed files with 595 additions and 41 deletions
|
|
@ -25,7 +25,7 @@ except ImportError:
|
|||
|
||||
|
||||
MOCK_MODULES = ['numpy', 'numpy.polynomial', 'numpy.polynomial.polynomial',
|
||||
'h5py', 'pandas', 'opencg']
|
||||
'h5py', 'pandas', 'uncertainties', 'opencg']
|
||||
sys.modules.update((mod_name, MagicMock()) for mod_name in MOCK_MODULES)
|
||||
|
||||
import numpy as np
|
||||
|
|
|
|||
|
|
@ -13,6 +13,7 @@ Active development of the OpenMC Monte Carlo code is currently led by:
|
|||
* `Jon Walsh <https://github.com/walshjon>`_
|
||||
* `Sterling Harper <https://github.com/smharper>`_
|
||||
* `Will Boyd <https://github.com/wbinventor>`_
|
||||
* `Samuel Shaner <https://github.com/samuelshaner>`_
|
||||
* `Benoit Forget <http://web.mit.edu/nse/people/faculty/forget.html>`_
|
||||
* `Kord Smith <http://web.mit.edu/nse/people/faculty/smith.html>`_
|
||||
* `Andrew Siegel <http://www.mcs.anl.gov/about/people_detail.php?id=404>`_
|
||||
* `Andrew Siegel <http://www.mcs.anl.gov/person/andrew-siegel>`_
|
||||
|
|
|
|||
|
|
@ -238,4 +238,4 @@ from your private repository into a public fork.
|
|||
.. _paid plan: https://github.com/plans
|
||||
.. _Bitbucket: https://bitbucket.org
|
||||
.. _ctest: http://www.cmake.org/cmake/help/v2.8.12/ctest.html
|
||||
.. _NNDC: http://http://www.nndc.bnl.gov/endf/b7.1/acefiles.html
|
||||
.. _NNDC: http://www.nndc.bnl.gov/endf/b7.1/acefiles.html
|
||||
|
|
|
|||
|
|
@ -384,7 +384,7 @@ x - x_0`, :math:`\bar{y} = y - y_0`, and :math:`\bar{z} = z - z_0`. We then have
|
|||
Expanding equation :eq:`dist-xcone-1` and rearranging terms, we obtain
|
||||
|
||||
.. math::
|
||||
:label: dist-xcylinder-2
|
||||
:label: dist-xcone-2
|
||||
|
||||
(v^2 + w^2 - R^2u^2) d^2 + 2 (\bar{y}v + \bar{z}w - R^2\bar{x}u) d +
|
||||
(\bar{y}^2 + \bar{z}^2 - R^2\bar{x}^2) = 0
|
||||
|
|
@ -392,7 +392,7 @@ Expanding equation :eq:`dist-xcone-1` and rearranging terms, we obtain
|
|||
Defining the terms
|
||||
|
||||
.. math::
|
||||
:label: dist-quadric-terms
|
||||
:label: dist-xcone-terms
|
||||
|
||||
a = v^2 + w^2 - R^2u^2
|
||||
|
||||
|
|
@ -896,4 +896,4 @@ Dxy + Eyz + Fxz + Gx + Hy + Jz + K = 0`. Thus, the gradient to the surface is
|
|||
.. _surfaces: http://en.wikipedia.org/wiki/Surface
|
||||
.. _MCNP: http://mcnp.lanl.gov
|
||||
.. _Serpent: http://montecarlo.vtt.fi
|
||||
.. _Monte Carlo Performance benchmark: https://github.com/paulromano/benchmarks/tree/master/mc-performance/openmc
|
||||
.. _Monte Carlo Performance benchmark: https://github.com/mit-crpg/benchmarks/tree/master/mc-performance/openmc
|
||||
|
|
|
|||
|
|
@ -82,6 +82,10 @@ Coupling and Multi-physics
|
|||
Geometry
|
||||
--------
|
||||
|
||||
- Derek M. Lax, "Memory efficient indexing algorithm for physical properties in
|
||||
OpenMC," S. M. Thesis, Massachusetts Institute of Technology
|
||||
(2015). `<http://hdl.handle.net/1721.1/97862>`_
|
||||
|
||||
- Derek Lax, William Boyd, Nicholas Horelik, Benoit Forget, and Kord Smith, "A
|
||||
memory efficient algorithm for classifying unique regions in constructive
|
||||
solid geometries," *Proc. PHYSOR*, Kyoto, Japan, Sep. 28--Oct. 3 (2014).
|
||||
|
|
@ -106,6 +110,10 @@ Miscellaneous
|
|||
triggers for the OpenMC Monte Carlo code," *Trans. Am. Nucl. Soc.*, **112**,
|
||||
637-640 (2015).
|
||||
|
||||
- Kyungkwan Noh and Deokjung Lee, "Whole Core Analysis using OpenMC Monte Carlo
|
||||
Code," *Trans. Kor. Nucl. Soc. Autumn Meeting*, Gyeongju, Korea,
|
||||
Oct. 24-25, 2013.
|
||||
|
||||
- Timothy P. Burke, Brian C. Kiedrowski, and William R. Martin, "Flux and
|
||||
Reaction Rate Kernel Density Estimators in OpenMC," *Trans. Am. Nucl. Soc.*,
|
||||
**109**, 683-686 (2013).
|
||||
|
|
@ -139,7 +147,7 @@ Doppler Broadening
|
|||
|
||||
- Colin Josey, Pablo Ducru, Benoit Forget, and Kord Smith, "Windowed multipole
|
||||
for cross section Doppler broadening," *J. Comput. Phys.*, **307**, 715-727
|
||||
(2016). `<http://dx.doi.org/10.1016/jcp.2015.08.013>`_
|
||||
(2016). `<http://dx.doi.org/10.1016/j.jcp.2015.08.013>`_
|
||||
|
||||
- Jonathan A. Walsh, Benoit Forget, Kord S. Smith, and Forrest B. Brown,
|
||||
"On-the-fly Doppler Broadening of Unresolved Resonance Region Cross Sections
|
||||
|
|
@ -169,6 +177,11 @@ Nuclear Data
|
|||
- Paul K. Romano and Sterling M. Harper, "Nuclear data processing capabilities
|
||||
in OpenMC", *Proc. Nuclear Data*, Sep. 11-16, 2016.
|
||||
|
||||
- Jonathan A. Walsh, Benoit Froget, Kord S. Smith, and Forrest B. Brown,
|
||||
"Neutron Cross Section Processing Methods for Improved Integral Benchmarking
|
||||
of Unresolved Resonance Region Evaluations," *Eur. Phys. J. Web Conf.*
|
||||
**111**, 06001 (2016). `<http://dx.doi.org/10.1051/epjconf/201611106001>`_
|
||||
|
||||
- Jonathan A. Walsh, Paul K. Romano, Benoit Forget, and Kord S. Smith,
|
||||
"Optimizations of the energy grid search algorithm in continuous-energy Monte
|
||||
Carlo particle transport codes", *Comput. Phys. Commun.*, **196**, 134-142
|
||||
|
|
@ -213,10 +226,19 @@ Parallelism
|
|||
memory subsystem on Monte Carlo code performance," *Proc. Joint
|
||||
Int. Conf. M&C+SNA+MC*, Nashville, Tennessee, Apr. 19--23 (2015).
|
||||
|
||||
- Hajime Fujita, Nan Dun, Aiman Fang, Zachary A. Rubinstein, Ziming Zheng, Kamil
|
||||
Iskra, Jeff Hammonds, Anshu Dubey, Pavan Balaji, and Andrew A. Chien, "Using
|
||||
Global View Resilience (GVR) to add Resilience to Exascale Applications,"
|
||||
*Proc. Supercomputing*, New Orleans, Louisiana, Nov. 16--21, 2014.
|
||||
|
||||
- Nicholas Horelik, Benoit Forget, Kord Smith, and Andrew Siegel, "Domain
|
||||
decomposition and terabyte tallies with the OpenMC Monte Carlo neutron
|
||||
transport code," *Proc. PHYSOR*, Kyoto Japan, Sep. 28--Oct. 3 (2014).
|
||||
|
||||
- John R. Tramm, Andrew R. Siegel, Tanzima Islam, and Martin Schulz, "XSBench --
|
||||
the development and verification of a performance abstraction for Monte Carlo
|
||||
reactor analysis," *Proc. PHYSOR*, Kyoto, Japan, Sep 28--Oct. 3, 2014.
|
||||
|
||||
- Nicholas Horelik, Andrew Siegel, Benoit Forget, and Kord Smith, "Monte Carlo
|
||||
domain decomposition for robust nuclear reactor analysis," *Parallel Comput.*,
|
||||
**40**, 646--660 (2014). `<http://dx.doi.org/10.1016/j.parco.2014.10.001>`_
|
||||
|
|
@ -270,6 +292,10 @@ Parallelism
|
|||
Depletion
|
||||
---------
|
||||
|
||||
- Anas Gul, K. S. Chaudri, R. Khan, and M. Azeen, "Development and verification
|
||||
of LOOP: A Linkage of ORIGEN2.2 and OpenMC," *Ann. Nucl. Energy*, **99**,
|
||||
321--327 (2017). `<http://dx.doi.org/10.1016/j.anucene.2016.09.016>`_
|
||||
|
||||
- Kai Huang, Hongchun Wu, Yunzhao Li, and Liangzhi Cao, "Generalized depletion
|
||||
chain simplification based of significance analysis," *Proc. PHYSOR*, Sun
|
||||
Valley, Idaho, May 1-5, 2016.
|
||||
|
|
|
|||
|
|
@ -373,6 +373,8 @@ Core Classes
|
|||
openmc.data.CoherentElastic
|
||||
openmc.data.FissionEnergyRelease
|
||||
openmc.data.DataLibrary
|
||||
openmc.data.Decay
|
||||
openmc.data.FissionProductYields
|
||||
|
||||
Core Functions
|
||||
--------------
|
||||
|
|
@ -476,6 +478,7 @@ Functions
|
|||
|
||||
openmc.data.endf.float_endf
|
||||
openmc.data.endf.get_cont_record
|
||||
openmc.data.endf.get_evaluations
|
||||
openmc.data.endf.get_head_record
|
||||
openmc.data.endf.get_tab1_record
|
||||
openmc.data.endf.get_tab2_record
|
||||
|
|
|
|||
|
|
@ -65,25 +65,25 @@ def sort_xml_elements(tree):
|
|||
tree.extend(sorted_elements)
|
||||
|
||||
|
||||
def clean_xml_indentation(element, level=0):
|
||||
def clean_xml_indentation(element, level=0, spaces_per_level=4):
|
||||
"""
|
||||
copy and paste from http://effbot.org/zone/elementent-lib.htm#prettyprint
|
||||
it basically walks your tree and adds spaces and newlines so the tree is
|
||||
printed in a nice way
|
||||
"""
|
||||
|
||||
i = "\n" + level*" "
|
||||
i = "\n" + level*spaces_per_level*" "
|
||||
|
||||
if len(element):
|
||||
|
||||
if not element.text or not element.text.strip():
|
||||
element.text = i + " "
|
||||
element.text = i + spaces_per_level*" "
|
||||
|
||||
if not element.tail or not element.tail.strip():
|
||||
element.tail = i
|
||||
|
||||
for sub_element in element:
|
||||
clean_xml_indentation(sub_element, level+1)
|
||||
clean_xml_indentation(sub_element, level+1, spaces_per_level)
|
||||
|
||||
if not sub_element.tail or not sub_element.tail.strip():
|
||||
sub_element.tail = i
|
||||
|
|
|
|||
|
|
@ -6,6 +6,7 @@ HDF5_VERSION = (HDF5_VERSION_MAJOR, HDF5_VERSION_MINOR)
|
|||
|
||||
from .data import *
|
||||
from .neutron import *
|
||||
from .decay import *
|
||||
from .reaction import *
|
||||
from .ace import *
|
||||
from .angle_distribution import *
|
||||
|
|
|
|||
485
openmc/data/decay.py
Normal file
485
openmc/data/decay.py
Normal file
|
|
@ -0,0 +1,485 @@
|
|||
from collections import Iterable, namedtuple
|
||||
from io import StringIO
|
||||
from math import log
|
||||
from numbers import Real
|
||||
import re
|
||||
from warnings import warn
|
||||
|
||||
from six import string_types
|
||||
import numpy as np
|
||||
try:
|
||||
from uncertainties import ufloat, unumpy, UFloat
|
||||
except ImportError:
|
||||
ufloat = UFloat = namedtuple('UFloat', ['nominal_value', 'std_dev'])
|
||||
|
||||
import openmc.checkvalue as cv
|
||||
from openmc.mixin import EqualityMixin
|
||||
from .data import ATOMIC_SYMBOL, ATOMIC_NUMBER
|
||||
from .endf import Evaluation, get_head_record, get_list_record, get_tab1_record
|
||||
|
||||
|
||||
# Gives name and (change in A, change in Z) resulting from decay
|
||||
_DECAY_MODES = {
|
||||
0: ('gamma', (0, 0)),
|
||||
1: ('beta-', (0, 1)),
|
||||
2: ('ec/beta+', (0, -1)),
|
||||
3: ('IT', (0, 0)),
|
||||
4: ('alpha', (-4, -2)),
|
||||
5: ('n', (-1, 0)),
|
||||
6: ('sf', None),
|
||||
7: ('p', (-1, -1)),
|
||||
8: ('e-', (0, 0)),
|
||||
9: ('xray', (0, 0)),
|
||||
10: ('unknown', None)
|
||||
}
|
||||
|
||||
_RADIATION_TYPES = {
|
||||
0: 'gamma',
|
||||
1: 'beta-',
|
||||
2: 'ec/beta+',
|
||||
4: 'alpha',
|
||||
5: 'n',
|
||||
6: 'sf',
|
||||
7: 'p',
|
||||
8: 'e-',
|
||||
9: 'xray',
|
||||
10: 'anti-neutrino',
|
||||
11: 'neutrino'
|
||||
}
|
||||
|
||||
|
||||
def get_decay_modes(value):
|
||||
"""Return sequence of decay modes given an ENDF RTYP value.
|
||||
|
||||
Parameters
|
||||
----------
|
||||
value : float
|
||||
ENDF definition of sequence of decay modes
|
||||
|
||||
Returns
|
||||
-------
|
||||
list of str
|
||||
List of successive decays, e.g. ('beta-', 'neutron')
|
||||
|
||||
"""
|
||||
return [_DECAY_MODES[int(x)][0] for x in
|
||||
str(value).strip('0').replace('.', '')]
|
||||
|
||||
|
||||
class FissionProductYields(EqualityMixin):
|
||||
"""Independent and cumulative fission product yields.
|
||||
|
||||
Parameters
|
||||
----------
|
||||
ev_or_filename : str of openmc.data.endf.Evaluation
|
||||
ENDF fission product yield evaluation to read from. If given as a
|
||||
string, it is assumed to be the filename for the ENDF file.
|
||||
|
||||
Attributes
|
||||
----------
|
||||
cumulative : list of dict
|
||||
Cumulative yields for each tabulated energy. Each item in the list is a
|
||||
dictionary whose keys are nuclide names and values are cumulative
|
||||
yields. The i-th dictionary corresponds to the i-th incident neutron
|
||||
energy.
|
||||
energies : Iterable of float or None
|
||||
Energies at which fission product yields are tabulated.
|
||||
independent : list of dict
|
||||
Independent yields for each tabulated energy. Each item in the list is a
|
||||
dictionary whose keys are nuclide names and values are independent
|
||||
yields. The i-th dictionary corresponds to the i-th incident neutron
|
||||
energy.
|
||||
nuclide : dict
|
||||
Properties of the fissioning nuclide.
|
||||
|
||||
Notes
|
||||
-----
|
||||
Neutron fission yields are typically not measured with a monoenergetic
|
||||
source of neutrons. As such, if the fission yields are given at, e.g.,
|
||||
0.0253 eV, one should interpret this as meaning that they are derived from a
|
||||
typical thermal reactor flux spectrum as opposed to a monoenergetic source
|
||||
at 0.0253 eV.
|
||||
|
||||
"""
|
||||
def __init__(self, ev_or_filename):
|
||||
# Define function that can be used to read both independent and
|
||||
# cumulative yields
|
||||
def get_yields(file_obj):
|
||||
# Determine number of energies
|
||||
n_energy = get_head_record(file_obj)[2]
|
||||
energies = np.zeros(n_energy)
|
||||
|
||||
data = []
|
||||
for i in range(n_energy):
|
||||
# Determine i-th energy and number of products
|
||||
items, values = get_list_record(file_obj)
|
||||
energies[i] = items[0]
|
||||
n_products = items[5]
|
||||
|
||||
# Get yields for i-th energy
|
||||
yields = {}
|
||||
for j in range(n_products):
|
||||
Z, A = divmod(int(values[4*j]), 1000)
|
||||
isomeric_state = int(values[4*j + 1])
|
||||
name = ATOMIC_SYMBOL[Z] + str(A)
|
||||
if isomeric_state > 0:
|
||||
name += '_m{}'.format(isomeric_state)
|
||||
yield_j = ufloat(values[4*j + 2], values[4*j + 3])
|
||||
yields[name] = yield_j
|
||||
|
||||
data.append(yields)
|
||||
|
||||
return energies, data
|
||||
|
||||
# Get evaluation if str is passed
|
||||
if isinstance(ev_or_filename, Evaluation):
|
||||
ev = ev_or_filename
|
||||
else:
|
||||
ev = Evaluation(ev_or_filename)
|
||||
|
||||
# Assign basic nuclide properties
|
||||
self.nuclide = {
|
||||
'name': ev.gnd_name,
|
||||
'atomic_number': ev.target['atomic_number'],
|
||||
'mass_number': ev.target['mass_number'],
|
||||
'isomeric_state': ev.target['isomeric_state']
|
||||
}
|
||||
|
||||
# Read independent yields
|
||||
if (8, 454) in ev.section:
|
||||
file_obj = StringIO(ev.section[8, 454])
|
||||
self.energies, self.independent = get_yields(file_obj)
|
||||
|
||||
# Read cumulative yields
|
||||
if (8, 459) in ev.section:
|
||||
file_obj = StringIO(ev.section[8, 459])
|
||||
energies, self.cumulative = get_yields(file_obj)
|
||||
assert np.all(energies == self.energies)
|
||||
|
||||
@classmethod
|
||||
def from_endf(cls, ev_or_filename):
|
||||
"""Generate fission product yield data from an ENDF evaluation
|
||||
|
||||
Parameters
|
||||
----------
|
||||
ev_or_filename : str or openmc.data.endf.Evaluation
|
||||
ENDF fission product yield evaluation to read from. If given as a
|
||||
string, it is assumed to be the filename for the ENDF file.
|
||||
|
||||
Returns
|
||||
-------
|
||||
openmc.data.FissionProductYields
|
||||
Fission product yield data
|
||||
|
||||
"""
|
||||
return cls(ev_or_filename)
|
||||
|
||||
|
||||
class DecayMode(EqualityMixin):
|
||||
"""Radioactive decay mode.
|
||||
|
||||
Parameters
|
||||
----------
|
||||
parent : str
|
||||
Parent decaying nuclide
|
||||
modes : list of str
|
||||
Successive decay modes
|
||||
daughter_state : int
|
||||
Metastable state of the daughter nuclide
|
||||
energy : uncertainties.UFloat
|
||||
Total decay energy in eV available in the decay process.
|
||||
branching_ratio : uncertainties.UFloat
|
||||
Fraction of the decay of the parent nuclide which proceeds by this mode.
|
||||
|
||||
Attributes
|
||||
----------
|
||||
branching_ratio : uncertainties.UFloat
|
||||
Fraction of the decay of the parent nuclide which proceeds by this mode.
|
||||
daughter : str
|
||||
Name of daughter nuclide produced from decay
|
||||
energy : uncertainties.UFloat
|
||||
Total decay energy in eV available in the decay process.
|
||||
modes : list of str
|
||||
Successive decay modes
|
||||
parent : str
|
||||
Parent decaying nuclide
|
||||
|
||||
"""
|
||||
|
||||
def __init__(self, parent, modes, daughter_state, energy,
|
||||
branching_ratio):
|
||||
self._daughter_state = daughter_state
|
||||
self.parent = parent
|
||||
self.modes = modes
|
||||
self.energy = energy
|
||||
self.branching_ratio = branching_ratio
|
||||
|
||||
def __repr__(self):
|
||||
return ('<DecayMode: ({}), {} -> {}, {}>'.format(
|
||||
','.join(self.modes), self.parent, self.daughter,
|
||||
self.branching_ratio))
|
||||
|
||||
@property
|
||||
def branching_ratio(self):
|
||||
return self._branching_ratio
|
||||
|
||||
@property
|
||||
def daughter(self):
|
||||
# Determine atomic number and mass number of parent
|
||||
symbol, A = re.match(r'([A-Zn][a-z]*)(\d+)', self.parent).groups()
|
||||
A = int(A)
|
||||
Z = ATOMIC_NUMBER[symbol]
|
||||
|
||||
# Process changes
|
||||
for mode in self.modes:
|
||||
for name, changes in _DECAY_MODES.values():
|
||||
if name == mode:
|
||||
if changes is not None:
|
||||
delta_A, delta_Z = changes
|
||||
A += delta_A
|
||||
Z += delta_Z
|
||||
|
||||
if self._daughter_state > 0:
|
||||
return '{}{}_m{}'.format(ATOMIC_SYMBOL[Z], A, self._daughter_state)
|
||||
else:
|
||||
return '{}{}'.format(ATOMIC_SYMBOL[Z], A)
|
||||
|
||||
@property
|
||||
def energy(self):
|
||||
return self._energy
|
||||
|
||||
@property
|
||||
def modes(self):
|
||||
return self._modes
|
||||
|
||||
@property
|
||||
def parent(self):
|
||||
return self._parent
|
||||
|
||||
@branching_ratio.setter
|
||||
def branching_ratio(self, branching_ratio):
|
||||
cv.check_type('branching ratio', branching_ratio, UFloat)
|
||||
cv.check_greater_than('branching ratio',
|
||||
branching_ratio.nominal_value, 0.0, True)
|
||||
if branching_ratio.nominal_value == 0.0:
|
||||
warn('Decay mode {} of parent {} has a zero branching ratio.'
|
||||
.format(self.modes, self.parent))
|
||||
cv.check_greater_than('branching ratio uncertainty',
|
||||
branching_ratio.std_dev, 0.0, True)
|
||||
self._branching_ratio = branching_ratio
|
||||
|
||||
@energy.setter
|
||||
def energy(self, energy):
|
||||
cv.check_type('decay energy', energy, UFloat)
|
||||
cv.check_greater_than('decay energy', energy.nominal_value, 0.0, True)
|
||||
cv.check_greater_than('decay energy uncertainty',
|
||||
energy.std_dev, 0.0, True)
|
||||
self._energy = energy
|
||||
|
||||
@modes.setter
|
||||
def modes(self, modes):
|
||||
cv.check_type('decay modes', modes, Iterable, string_types)
|
||||
self._modes = modes
|
||||
|
||||
@parent.setter
|
||||
def parent(self, parent):
|
||||
cv.check_type('parent nuclide', parent, string_types)
|
||||
self._parent = parent
|
||||
|
||||
|
||||
class Decay(EqualityMixin):
|
||||
"""Radioactive decay data.
|
||||
|
||||
Parameters
|
||||
----------
|
||||
ev_or_filename : str of openmc.data.endf.Evaluation
|
||||
ENDF radioactive decay data evaluation to read from. If given as a
|
||||
string, it is assumed to be the filename for the ENDF file.
|
||||
|
||||
Attributes
|
||||
----------
|
||||
average_energies : dict
|
||||
Average decay energies in eV of each type of radiation for decay heat
|
||||
applications.
|
||||
decay_constant : uncertainties.UFloat
|
||||
Decay constant in inverse seconds.
|
||||
half_life : uncertainties.UFloat
|
||||
Half-life of the decay in seconds.
|
||||
modes : list
|
||||
Decay mode information for each mode of decay.
|
||||
nuclide : dict
|
||||
Dictionary describing decaying nuclide with keys 'name',
|
||||
'excited_state', 'mass', 'stable', 'spin', and 'parity'.
|
||||
spectra : dict
|
||||
Resulting radiation spectra for each radiation type.
|
||||
|
||||
"""
|
||||
def __init__(self, ev_or_filename):
|
||||
# Get evaluation if str is passed
|
||||
if isinstance(ev_or_filename, Evaluation):
|
||||
ev = ev_or_filename
|
||||
else:
|
||||
ev = Evaluation(ev_or_filename)
|
||||
|
||||
file_obj = StringIO(ev.section[8, 457])
|
||||
|
||||
self.nuclide = {}
|
||||
self.modes = []
|
||||
self.spectra = {}
|
||||
self.average_energies = {}
|
||||
|
||||
# Get head record
|
||||
items = get_head_record(file_obj)
|
||||
Z, A = divmod(items[0], 1000)
|
||||
metastable = items[3]
|
||||
self.nuclide['atomic_number'] = Z
|
||||
self.nuclide['mass_number'] = A
|
||||
self.nuclide['isomeric_state'] = metastable
|
||||
if metastable > 0:
|
||||
self.nuclide['name'] = '{}{}_m{}'.format(ATOMIC_SYMBOL[Z], A,
|
||||
metastable)
|
||||
else:
|
||||
self.nuclide['name'] = '{}{}'.format(ATOMIC_SYMBOL[Z], A)
|
||||
self.nuclide['mass'] = items[1] # AWR
|
||||
self.nuclide['excited_state'] = items[2] # State of the original nuclide
|
||||
self.nuclide['stable'] = (items[4] == 1) # Nucleus stability flag
|
||||
|
||||
# Determine if radioactive/stable
|
||||
if not self.nuclide['stable']:
|
||||
NSP = items[5] # Number of radiation types
|
||||
|
||||
# Half-life and decay energies
|
||||
items, values = get_list_record(file_obj)
|
||||
self.half_life = ufloat(items[0], items[1])
|
||||
NC = items[4]//2
|
||||
pairs = [x for x in zip(values[::2], values[1::2])]
|
||||
ex = self.average_energies
|
||||
ex['light'] = ufloat(*pairs[0])
|
||||
ex['electromagnetic'] = ufloat(*pairs[1])
|
||||
ex['heavy'] = ufloat(*pairs[2])
|
||||
if NC == 17:
|
||||
ex['beta-'] = ufloat(*pairs[3])
|
||||
ex['beta+'] = ufloat(*pairs[4])
|
||||
ex['auger'] = ufloat(*pairs[5])
|
||||
ex['conversion'] = ufloat(*pairs[6])
|
||||
ex['gamma'] = ufloat(*pairs[7])
|
||||
ex['xray'] = ufloat(*pairs[8])
|
||||
ex['Bremsstrahlung'] = ufloat(*pairs[9])
|
||||
ex['annihilation'] = ufloat(*pairs[10])
|
||||
ex['alpha'] = ufloat(*pairs[11])
|
||||
ex['recoil'] = ufloat(*pairs[12])
|
||||
ex['SF'] = ufloat(*pairs[13])
|
||||
ex['neutron'] = ufloat(*pairs[14])
|
||||
ex['proton'] = ufloat(*pairs[15])
|
||||
ex['neutrino'] = ufloat(*pairs[16])
|
||||
|
||||
items, values = get_list_record(file_obj)
|
||||
spin = items[0]
|
||||
if spin == -77.777:
|
||||
self.nuclide['spin'] = None
|
||||
else:
|
||||
self.nuclide['spin'] = spin
|
||||
self.nuclide['parity'] = items[1] # Parity of the nuclide
|
||||
|
||||
# Decay mode information
|
||||
n_modes = items[5] # Number of decay modes
|
||||
for i in range(n_modes):
|
||||
decay_type = get_decay_modes(values[6*i])
|
||||
isomeric_state = int(values[6*i + 1])
|
||||
energy = ufloat(*values[6*i + 2:6*i + 4])
|
||||
branching_ratio = ufloat(*values[6*i + 4:6*(i + 1)])
|
||||
|
||||
mode = DecayMode(self.nuclide['name'], decay_type, isomeric_state,
|
||||
energy, branching_ratio)
|
||||
self.modes.append(mode)
|
||||
|
||||
discrete_type = {0.0: None, 1.0: 'allowed', 2.0: 'first-forbidden',
|
||||
3.0: 'second-forbidden', 4.0: 'third-forbidden',
|
||||
5.0: 'fourth-forbidden', 6.0: 'fifth-forbidden'}
|
||||
|
||||
# Read spectra
|
||||
for i in range(NSP):
|
||||
spectrum = {}
|
||||
|
||||
items, values = get_list_record(file_obj)
|
||||
# Decay radiation type
|
||||
spectrum['type'] = _RADIATION_TYPES[items[1]]
|
||||
# Continuous spectrum flag
|
||||
spectrum['continuous_flag'] = {0: 'discrete', 1: 'continuous',
|
||||
2: 'both'}[items[2]]
|
||||
spectrum['discrete_normalization'] = ufloat(*values[0:2])
|
||||
spectrum['energy_average'] = ufloat(*values[2:4])
|
||||
spectrum['continuous_normalization'] = ufloat(*values[4:6])
|
||||
|
||||
NER = items[5] # Number of tabulated discrete energies
|
||||
|
||||
if not spectrum['continuous_flag'] == 'continuous':
|
||||
# Information about discrete spectrum
|
||||
spectrum['discrete'] = []
|
||||
for j in range(NER):
|
||||
items, values = get_list_record(file_obj)
|
||||
di = {}
|
||||
di['energy'] = ufloat(*items[0:2])
|
||||
di['from_mode'] = get_decay_modes(values[0])
|
||||
di['type'] = discrete_type[values[1]]
|
||||
di['intensity'] = ufloat(*values[2:4])
|
||||
if spectrum['type'] == 'ec/beta+':
|
||||
di['positron_intensity'] = ufloat(*values[4:6])
|
||||
elif spectrum['type'] == 'gamma':
|
||||
di['internal_pair'] = ufloat(*values[4:6])
|
||||
if len(values) >= 8:
|
||||
di['total_internal_conversion'] = ufloat(*values[6:8])
|
||||
if len(values) == 12:
|
||||
di['k_shell_conversion'] = ufloat(*values[8:10])
|
||||
di['l_shell_conversion'] = ufloat(*values[10:12])
|
||||
spectrum['discrete'].append(di)
|
||||
|
||||
if not spectrum['continuous_flag'] == 'discrete':
|
||||
# Read continuous spectrum
|
||||
ci = {}
|
||||
params, ci['probability'] = get_tab1_record(file_obj)
|
||||
ci['type'] = get_decay_modes(params[0])
|
||||
|
||||
# Read covariance (Ek, Fk) table
|
||||
LCOV = params[3]
|
||||
if LCOV != 0:
|
||||
items, values = get_list_record(file_obj)
|
||||
ci['covariance_lb'] = items[3]
|
||||
ci['covariance'] = zip(values[0::2], values[1::2])
|
||||
|
||||
spectrum['continuous'] = ci
|
||||
|
||||
# Add spectrum to dictionary
|
||||
self.spectra[spectrum['type']] = spectrum
|
||||
|
||||
else:
|
||||
items, values = get_list_record(file_obj)
|
||||
items, values = get_list_record(file_obj)
|
||||
self.nuclide['spin'] = items[0]
|
||||
self.nuclide['parity'] = items[1]
|
||||
|
||||
@property
|
||||
def decay_constant(self):
|
||||
if hasattr(self.half_life, 'n'):
|
||||
return log(2.)/self.half_life
|
||||
else:
|
||||
mu, sigma = self.half_life
|
||||
return ufloat(log(2.)/mu, log(2.)/mu**2*sigma)
|
||||
|
||||
@classmethod
|
||||
def from_endf(cls, ev_or_filename):
|
||||
"""Generate radioactive decay data from an ENDF evaluation
|
||||
|
||||
Parameters
|
||||
----------
|
||||
ev_or_filename : str or openmc.data.endf.Evaluation
|
||||
ENDF radioactive decay data evaluation to read from. If given as a
|
||||
string, it is assumed to be the filename for the ENDF file.
|
||||
|
||||
Returns
|
||||
-------
|
||||
openmc.data.Decay
|
||||
Radioactive decay data
|
||||
|
||||
"""
|
||||
return cls(ev_or_filename)
|
||||
|
|
@ -14,9 +14,11 @@ import os
|
|||
from math import pi
|
||||
from collections import OrderedDict, Iterable
|
||||
|
||||
from six import string_types
|
||||
import numpy as np
|
||||
from numpy.polynomial.polynomial import Polynomial
|
||||
|
||||
from .data import ATOMIC_SYMBOL
|
||||
from .function import Tabulated1D, INTERPOLATION_SCHEME
|
||||
from openmc.stats.univariate import Uniform, Tabular, Legendre
|
||||
|
||||
|
|
@ -47,16 +49,6 @@ SUM_RULES = {1: [2, 3],
|
|||
_ENDF_FLOAT_RE = re.compile(r'([\s\-\+]?\d*\.\d+)([\+\-]\d+)')
|
||||
|
||||
|
||||
def radiation_type(value):
|
||||
p = {0: 'gamma', 1: 'beta-', 2: 'ec/beta+', 3: 'IT',
|
||||
4: 'alpha', 5: 'neutron', 6: 'sf', 7: 'proton',
|
||||
8: 'e-', 9: 'xray', 10: 'unknown'}
|
||||
if value % 1.0 == 0:
|
||||
return p[int(value)]
|
||||
else:
|
||||
return (p[int(value)], p[int(10*value % 10)])
|
||||
|
||||
|
||||
def float_endf(s):
|
||||
"""Convert string of floating point number in ENDF to float.
|
||||
|
||||
|
|
@ -258,14 +250,40 @@ def get_tab2_record(file_obj):
|
|||
|
||||
return params, Tabulated2D(breakpoints, interpolation)
|
||||
|
||||
def get_evaluations(filename):
|
||||
"""Return a list of all evaluations within an ENDF file.
|
||||
|
||||
Parameters
|
||||
----------
|
||||
filename : str
|
||||
Path to ENDF-6 formatted file
|
||||
|
||||
Returns
|
||||
-------
|
||||
list
|
||||
A list of :class:`openmc.data.endf.Evaluation` instances.
|
||||
|
||||
"""
|
||||
evaluations = []
|
||||
with open(filename, 'r') as fh:
|
||||
while True:
|
||||
pos = fh.tell()
|
||||
line = fh.readline()
|
||||
if line[66:70] == ' -1':
|
||||
break
|
||||
fh.seek(pos)
|
||||
evaluations.append(Evaluation(fh))
|
||||
return evaluations
|
||||
|
||||
|
||||
class Evaluation(object):
|
||||
"""ENDF material evaluation with multiple files/sections
|
||||
|
||||
Parameters
|
||||
----------
|
||||
filename : str
|
||||
Path to ENDF file to read
|
||||
filename_or_obj : str or file-like
|
||||
Path to ENDF file to read or an open file positioned at the start of an
|
||||
ENDF material
|
||||
|
||||
Attributes
|
||||
----------
|
||||
|
|
@ -282,8 +300,11 @@ class Evaluation(object):
|
|||
indicator (MOD).
|
||||
|
||||
"""
|
||||
def __init__(self, filename):
|
||||
fh = open(filename, 'r')
|
||||
def __init__(self, filename_or_obj):
|
||||
if isinstance(filename_or_obj, string_types):
|
||||
fh = open(filename_or_obj, 'r')
|
||||
else:
|
||||
fh = filename_or_obj
|
||||
self.section = {}
|
||||
self.info = {}
|
||||
self.target = {}
|
||||
|
|
@ -313,6 +334,7 @@ class Evaluation(object):
|
|||
|
||||
# If end of material reached, exit loop
|
||||
if MAT == 0:
|
||||
fh.readline()
|
||||
break
|
||||
|
||||
section_data = ''
|
||||
|
|
@ -396,6 +418,16 @@ class Evaluation(object):
|
|||
mod = 0
|
||||
self.reaction_list.append((mf, mt, nc, mod))
|
||||
|
||||
@property
|
||||
def gnd_name(self):
|
||||
symbol = ATOMIC_SYMBOL[self.target['atomic_number']]
|
||||
A = self.target['mass_number']
|
||||
m = self.target['isomeric_state']
|
||||
if m > 0:
|
||||
return '{}{}_m{}'.format(symbol, A, m)
|
||||
else:
|
||||
return '{}{}'.format(symbol, A)
|
||||
|
||||
|
||||
class Tabulated2D(object):
|
||||
"""Metadata for a two-dimensional function.
|
||||
|
|
|
|||
|
|
@ -137,3 +137,6 @@ class LaboratoryAngleEnergy(AngleEnergy):
|
|||
energy_out.append(energy_out_i)
|
||||
|
||||
return cls(tab2.breakpoints, tab2.interpolation, energy, mu, energy_out)
|
||||
|
||||
def to_hdf5(self, group):
|
||||
raise NotImplementedError
|
||||
|
|
|
|||
|
|
@ -55,13 +55,14 @@ REACTION_NAME = {1: '(n,total)', 2: '(n,elastic)', 4: '(n,level)',
|
|||
195: '(n,4n2a)', 196: '(n,4npa)', 197: '(n,3p)',
|
||||
198: '(n,n3p)', 199: '(n,3n2pa)', 200: '(n,5n2p)', 444: '(n,damage)',
|
||||
649: '(n,pc)', 699: '(n,dc)', 749: '(n,tc)', 799: '(n,3Hec)',
|
||||
849: '(n,ac)'}
|
||||
REACTION_NAME.update({i: '(n,n{})'.format(i-50) for i in range(50, 91)})
|
||||
REACTION_NAME.update({i: '(n,p{})'.format(i-600) for i in range(600, 649)})
|
||||
REACTION_NAME.update({i: '(n,d{})'.format(i-650) for i in range(650, 699)})
|
||||
REACTION_NAME.update({i: '(n,t{})'.format(i-700) for i in range(700, 749)})
|
||||
REACTION_NAME.update({i: '(n,3He{})'.format(i-750) for i in range(750, 799)})
|
||||
REACTION_NAME.update({i: '(n,a{})'.format(i-800) for i in range(800, 849)})
|
||||
849: '(n,ac)', 891: '(n,2nc)'}
|
||||
REACTION_NAME.update({i: '(n,n{})'.format(i - 50) for i in range(50, 91)})
|
||||
REACTION_NAME.update({i: '(n,p{})'.format(i - 600) for i in range(600, 649)})
|
||||
REACTION_NAME.update({i: '(n,d{})'.format(i - 650) for i in range(650, 699)})
|
||||
REACTION_NAME.update({i: '(n,t{})'.format(i - 700) for i in range(700, 749)})
|
||||
REACTION_NAME.update({i: '(n,3He{})'.format(i - 750) for i in range(750, 799)})
|
||||
REACTION_NAME.update({i: '(n,a{})'.format(i - 800) for i in range(800, 849)})
|
||||
REACTION_NAME.update({i: '(n,2n{})'.format(i - 875) for i in range(875, 891)})
|
||||
|
||||
|
||||
def _get_products(ev, mt):
|
||||
|
|
|
|||
|
|
@ -1,8 +1,7 @@
|
|||
from abc import ABCMeta, abstractproperty
|
||||
from abc import ABCMeta
|
||||
from collections import Iterable, OrderedDict
|
||||
import copy
|
||||
from numbers import Real, Integral
|
||||
import sys
|
||||
from xml.etree import ElementTree as ET
|
||||
|
||||
from six import add_metaclass
|
||||
|
|
@ -832,7 +831,7 @@ class RealFilter(Filter):
|
|||
def merge(self, other):
|
||||
if not self.can_merge(other):
|
||||
msg = 'Unable to merge "{0}" with "{1}" ' \
|
||||
'filters'.format(self.type, other.type)
|
||||
'filters'.format(type(self), type(other))
|
||||
raise ValueError(msg)
|
||||
|
||||
# Merge unique filter bins
|
||||
|
|
@ -933,7 +932,7 @@ class EnergyFilter(RealFilter):
|
|||
if bins[index] < bins[index-1]:
|
||||
msg = 'Unable to add bin edges "{0}" to a "{1}" Filter ' \
|
||||
'since they are not monotonically ' \
|
||||
'increasing'.format(bins, self.type)
|
||||
'increasing'.format(bins, type(self))
|
||||
raise ValueError(msg)
|
||||
|
||||
def get_pandas_dataframe(self, data_size, **kwargs):
|
||||
|
|
@ -1328,7 +1327,7 @@ class MuFilter(RealFilter):
|
|||
if bins[index] < bins[index-1]:
|
||||
msg = 'Unable to add bin edges "{0}" to a "{1}" Filter ' \
|
||||
'since they are not monotonically ' \
|
||||
'increasing'.format(bins, self.type)
|
||||
'increasing'.format(bins, type(self))
|
||||
raise ValueError(msg)
|
||||
|
||||
def get_pandas_dataframe(self, data_size, **kwargs):
|
||||
|
|
@ -1431,7 +1430,7 @@ class PolarFilter(RealFilter):
|
|||
if bins[index] < bins[index-1]:
|
||||
msg = 'Unable to add bin edges "{0}" to a "{1}" Filter ' \
|
||||
'since they are not monotonically ' \
|
||||
'increasing'.format(bins, self.type)
|
||||
'increasing'.format(bins, type(self))
|
||||
raise ValueError(msg)
|
||||
|
||||
def get_pandas_dataframe(self, data_size, **kwargs):
|
||||
|
|
@ -1479,7 +1478,8 @@ class PolarFilter(RealFilter):
|
|||
hi_bins = np.tile(hi_bins, tile_factor)
|
||||
|
||||
# Add the new angle columns to the DataFrame.
|
||||
df.loc[:, self.type + ' low'] = lo_bins
|
||||
df.loc[:, 'polar low'] = lo_bins
|
||||
df.loc[:, 'polar high'] = hi_bins
|
||||
|
||||
return df
|
||||
|
||||
|
|
@ -1533,7 +1533,7 @@ class AzimuthalFilter(RealFilter):
|
|||
if bins[index] < bins[index-1]:
|
||||
msg = 'Unable to add bin edges "{0}" to a "{1}" Filter ' \
|
||||
'since they are not monotonically ' \
|
||||
'increasing'.format(bins, self.type)
|
||||
'increasing'.format(bins, type(self))
|
||||
raise ValueError(msg)
|
||||
|
||||
def get_pandas_dataframe(self, data_size, distribcell_paths=True):
|
||||
|
|
@ -1581,7 +1581,8 @@ class AzimuthalFilter(RealFilter):
|
|||
hi_bins = np.tile(hi_bins, tile_factor)
|
||||
|
||||
# Add the new angle columns to the DataFrame.
|
||||
df.loc[:, self.type + ' low'] = lo_bins
|
||||
df.loc[:, 'azimuthal low'] = lo_bins
|
||||
df.loc[:, 'azimuthal high'] = hi_bins
|
||||
|
||||
return df
|
||||
|
||||
|
|
|
|||
1
setup.py
1
setup.py
|
|
@ -43,6 +43,7 @@ if have_setuptools:
|
|||
|
||||
# Optional dependencies
|
||||
'extras_require': {
|
||||
'decay': ['uncertainties'],
|
||||
'pandas': ['pandas>=0.17.0'],
|
||||
'sparse' : ['scipy'],
|
||||
'vtk': ['vtk', 'silomesh'],
|
||||
|
|
|
|||
Loading…
Add table
Add a link
Reference in a new issue