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merged with mg-mode-delayed branch

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Sam Shaner 2016-10-24 10:44:45 -04:00
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4
.travis.yml
View file

@ -29,7 +29,7 @@ before_install:
- conda config --set always_yes yes --set changeps1 no
- conda update -q conda
- conda info -a
- conda create -q -n test-environment python=$TRAVIS_PYTHON_VERSION numpy scipy h5py=2.5 pandas
- conda create -q -n test-environment python=$TRAVIS_PYTHON_VERSION six numpy scipy h5py=2.5 pandas
- source activate test-environment
# Install GCC, MPICH, HDF5, PHDF5
@ -47,11 +47,9 @@ before_script:
fi
- export OPENMC_CROSS_SECTIONS=$HOME/nndc_hdf5/cross_sections.xml
- cd data
- git clone --branch=master git://github.com/smharper/windowed_multipole_library.git wmp_lib
- tar xzvf wmp_lib/multipole_lib.tar.gz
- export OPENMC_MULTIPOLE_LIBRARY=$PWD/multipole_lib
- cd ..
script:
- cd tests

37
data/readme.rst
View file

@ -1,37 +0,0 @@
========================
cross_sections.xml Files
========================
As a reminder, in order to run a simulation with OpenMC, you will need cross
section data for each nuclide in your problem. OpenMC is not currently
distributed with cross section data, so you will have to obtain cross section
data by other means. The `user's guide`_ offers some helpful advice on how you
can obtain cross sections.
When OpenMC starts up, it needs a cross_sections.xml file that tells it where to
find ACE format cross sections. The files in this directory are configured to
work with a few common cross section sources.
- **cross_sections_ascii.xml** -- This file matches ENDF/B-VII.0 cross sections
distributed with MCNP5 / MCNP6 beta.
- **cross_sections_nndc.xml** -- This file matches ENDF/B-VII.1 cross sections
distributed from the `NNDC website`_.
- **cross_sections_serpent.xml** -- This file matches ENDF/B-VII.0 cross
sections distributed with Serpent 1.1.7.
- **cross_sections.xml** - This file matches ENDF/B-VII.0 cross sections
distributed with MCNP5 / MCNP6 beta *that have been converted to binary*.
To use any of these files, you need to follow two steps:
1. Change the path on the ``<directory>`` element in the cross_sections.xml file
to the directory containing the ACE files.
2. Enter the absolute path of the cross_sections.xml on the ``<cross_sections>``
element in your settings.xml, or set the CROSS_SECTIONS environment variable to
the full path of the cross_sections.xml file.
.. _user's guide: http://mit-crpg.github.io/openmc/usersguide/install.html#cross-section-configuration
.. _NNDC website: http://www.nndc.bnl.gov/endf/b7.1/acefiles.html

20
docs/source/quickinstall.rst
View file

@ -8,6 +8,26 @@ This quick install guide outlines the basic steps needed to install OpenMC on
your computer. For more detailed instructions on configuring and installing
OpenMC, see :ref:`usersguide_install` in the User's Manual.
----------------------------------------
Installing on Linux/Mac with conda-forge
----------------------------------------
`Conda <http://conda.pydata.org/docs/>`_ is an open source package management
system and environment management system for installing multiple versions of
software packages and their dependencies and switching easily between them. If
you have `conda` installed on your system, OpenMC can be installed via the
`conda-forge` channel. First, add the `conda-forge` channel with:
.. code-block:: sh
conda config --add channels conda-forge
OpenMC can then be installed with:
.. code-block:: sh
conda install openmc
--------------------------------
Installing on Ubuntu through PPA
--------------------------------

66
docs/source/usersguide/install.rst
View file

@ -4,6 +4,38 @@
Installation and Configuration
==============================
----------------------------------------
Installing on Linux/Mac with conda-forge
----------------------------------------
`Conda <http://conda.pydata.org/docs/>`_ is an open source package management
system and environment management system for installing multiple versions of
software packages and their dependencies and switching easily between
them. `conda-forge <https://conda-forge.github.io/>`_ is a community-led conda
channel of installable packages. For instructions on installing conda, please
consult their `documentation
<http://conda.pydata.org/docs/install/quick.html>`_.
Once you have `conda` installed on your system, add the `conda-forge` channel to
your configuration with:
.. code-block:: sh
conda config --add channels conda-forge
Once the `conda-forge` channel has been enabled, OpenMC can then be installed
with:
.. code-block:: sh
conda install openmc
It is possible to list all of the versions of OpenMC available on your platform with:
.. code-block:: sh
conda search openmc --channel conda-forge
-----------------------------
Installing on Ubuntu with PPA
-----------------------------
@ -407,13 +439,11 @@ extract the ACE data, fix any deficiencies, and create an HDF5 library:
.. code-block:: sh
cd openmc/data
python get_nndc_data.py
openmc-get-nndc-data
At this point, you should set the :envvar:`OPENMC_CROSS_SECTIONS` environment
variable to the absolute path of the file
``openmc/data/nndc_hdf5/cross_sections.xml``. This cross section set is used by
the test suite.
variable to the absolute path of the file ``nndc_hdf5/cross_sections.xml``. This
cross section set is used by the test suite.
Using JEFF Cross Sections from OECD/NEA
---------------------------------------
@ -424,12 +454,10 @@ and extract the ACE data, fix any deficiencies, and create an HDF5 library.
.. code-block:: sh
cd openmc/data
python get_jeff_data.py
openmc-get-jeff-data
At this point, you should set the :envvar:`OPENMC_CROSS_SECTIONS` environment
variable to the absolute path of the file
``openmc/data/jeff-3.2-hdf5/cross_sections.xml``.
variable to the absolute path of the file ``jeff-3.2-hdf5/cross_sections.xml``.
Using Cross Sections from MCNP
------------------------------
@ -441,8 +469,7 @@ format, run the following:
.. code-block:: sh
cd openmc/data
python convert_mcnp_endf70.py /path/to/mcnpdata/
openmc-convert-mcnp70-data /path/to/mcnpdata/
where ``/path/to/mcnpdata`` is the directory containing the ``endf70[a-k]``
files.
@ -452,8 +479,7 @@ the following script:
.. code-block:: sh
cd openmc/data
python convert_mcnp_endf71.py /path/to/mcnpdata
openmc-convert-mcnp71-data /path/to/mcnpdata
where ``/path/to/mcnpdata`` is the directory containing the ``endf71x`` and
``ENDF71SaB`` directories.
@ -470,16 +496,16 @@ that are to be converted:
1. List each ACE library as a positional argument. This is very useful in
conjunction with the usual shell utilities (ls, find, etc.).
2. Use the --xml option to specify a pre-v0.9 cross_sections.xml file.
3. Use the --xsdir option to specify a MCNP xsdir file.
4. Use the --xsdata option to specify a Serpent xsdata file.
2. Use the ``--xml`` option to specify a pre-v0.9 cross_sections.xml file.
3. Use the ``--xsdir` option to specify a MCNP xsdir file.
4. Use the ``--xsdata`` option to specify a Serpent xsdata file.
The script does not use any extra information from cross_sections.xml/ xsdir/
xsdata files to determine whether the nuclide is metastable. Instead, the
--metastable argument can be used to specify whether the ZAID naming convention
follows the NNDC data convention (1000*Z + A + 300 + 100*m), or the MCNP data
convention (essentially the same as NNDC, except that the first metastable state
of Am242 is 95242 and the ground state is 95642).
``--metastable`` argument can be used to specify whether the ZAID naming
convention follows the NNDC data convention (1000*Z + A + 300 + 100*m), or the
MCNP data convention (essentially the same as NNDC, except that the first
metastable state of Am242 is 95242 and the ground state is 95642).
The ``openmc-ace-to-hdf5`` script has the following command-line flags:

23
openmc/arithmetic.py
View file

@ -2,14 +2,13 @@ import sys
import copy
from collections import Iterable
from six import string_types
import numpy as np
import openmc
from openmc.filter import _FILTER_TYPES
import openmc.checkvalue as cv
if sys.version_info[0] >= 3:
basestring = str
# Acceptable tally arithmetic binary operations
_TALLY_ARITHMETIC_OPS = ['+', '-', '*', '/', '^']
@ -86,18 +85,18 @@ class CrossScore(object):
@left_score.setter
def left_score(self, left_score):
cv.check_type('left_score', left_score,
(basestring, CrossScore, AggregateScore))
string_types + (CrossScore, AggregateScore))
self._left_score = left_score
@right_score.setter
def right_score(self, right_score):
cv.check_type('right_score', right_score,
(basestring, CrossScore, AggregateScore))
string_types + (CrossScore, AggregateScore))
self._right_score = right_score
@binary_op.setter
def binary_op(self, binary_op):
cv.check_type('binary_op', binary_op, basestring)
cv.check_type('binary_op', binary_op, string_types)
cv.check_value('binary_op', binary_op, _TALLY_ARITHMETIC_OPS)
self._binary_op = binary_op
@ -202,7 +201,7 @@ class CrossNuclide(object):
@binary_op.setter
def binary_op(self, binary_op):
cv.check_type('binary_op', binary_op, basestring)
cv.check_type('binary_op', binary_op, string_types)
cv.check_value('binary_op', binary_op, _TALLY_ARITHMETIC_OPS)
self._binary_op = binary_op
@ -343,7 +342,7 @@ class CrossFilter(object):
@binary_op.setter
def binary_op(self, binary_op):
cv.check_type('binary_op', binary_op, basestring)
cv.check_type('binary_op', binary_op, string_types)
cv.check_value('binary_op', binary_op, _TALLY_ARITHMETIC_OPS)
self._binary_op = binary_op
@ -495,12 +494,12 @@ class AggregateScore(object):
@scores.setter
def scores(self, scores):
cv.check_iterable_type('scores', scores, basestring)
cv.check_iterable_type('scores', scores, string_types)
self._scores = scores
@aggregate_op.setter
def aggregate_op(self, aggregate_op):
cv.check_type('aggregate_op', aggregate_op, (basestring, CrossScore))
cv.check_type('aggregate_op', aggregate_op, string_types +(CrossScore,))
cv.check_value('aggregate_op', aggregate_op, _TALLY_AGGREGATE_OPS)
self._aggregate_op = aggregate_op
@ -575,12 +574,12 @@ class AggregateNuclide(object):
@nuclides.setter
def nuclides(self, nuclides):
cv.check_iterable_type('nuclides', nuclides,
(basestring, openmc.Nuclide, CrossNuclide))
string_types + (openmc.Nuclide, CrossNuclide))
self._nuclides = nuclides
@aggregate_op.setter
def aggregate_op(self, aggregate_op):
cv.check_type('aggregate_op', aggregate_op, basestring)
cv.check_type('aggregate_op', aggregate_op, string_types)
cv.check_value('aggregate_op', aggregate_op, _TALLY_AGGREGATE_OPS)
self._aggregate_op = aggregate_op
@ -711,7 +710,7 @@ class AggregateFilter(object):
@aggregate_op.setter
def aggregate_op(self, aggregate_op):
cv.check_type('aggregate_op', aggregate_op, basestring)
cv.check_type('aggregate_op', aggregate_op, string_types)
cv.check_value('aggregate_op', aggregate_op, _TALLY_AGGREGATE_OPS)
self._aggregate_op = aggregate_op

10
openmc/cell.py
View file

@ -5,6 +5,7 @@ from xml.etree import ElementTree as ET
import sys
import warnings
from six import string_types
import numpy as np
import openmc
@ -12,9 +13,6 @@ import openmc.checkvalue as cv
from openmc.surface import Halfspace
from openmc.region import Region, Intersection, Complement
if sys.version_info[0] >= 3:
basestring = str
# A static variable for auto-generated Cell IDs
AUTO_CELL_ID = 10000
@ -243,7 +241,7 @@ class Cell(object):
@name.setter
def name(self, name):
if name is not None:
cv.check_type('cell name', name, basestring)
cv.check_type('cell name', name, string_types)
self._name = name
else:
self._name = ''
@ -251,7 +249,7 @@ class Cell(object):
@fill.setter
def fill(self, fill):
if fill is not None:
if isinstance(fill, basestring):
if isinstance(fill, string_types):
if fill.strip().lower() != 'void':
msg = 'Unable to set Cell ID="{0}" to use a non-Material ' \
'or Universe fill "{1}"'.format(self._id, fill)
@ -336,7 +334,7 @@ class Cell(object):
@distribcell_paths.setter
def distribcell_paths(self, distribcell_paths):
cv.check_iterable_type('distribcell_paths', distribcell_paths,
basestring)
string_types)
self._distribcell_paths = distribcell_paths
def add_surface(self, surface, halfspace):

7
openmc/cmfd.py
View file

@ -15,13 +15,12 @@ from numbers import Real, Integral
from xml.etree import ElementTree as ET
import sys
from six import string_types
from openmc.clean_xml import clean_xml_indentation
from openmc.checkvalue import (check_type, check_length, check_value,
check_greater_than, check_less_than)
if sys.version_info[0] >= 3:
basestring = str
class CMFDMesh(object):
"""A structured Cartesian mesh used for Coarse Mesh Finite Difference (CMFD)
@ -339,7 +338,7 @@ class CMFD(object):
@display.setter
def display(self, display):
check_type('CMFD display', display, basestring)
check_type('CMFD display', display, string_types)
check_value('CMFD display', display,
['balance', 'dominance', 'entropy', 'source'])
self._display = display

7
openmc/data/ace.py
View file

@ -20,15 +20,12 @@ from os import SEEK_CUR
import struct
import sys
from six import string_types
import numpy as np
from openmc.mixin import EqualityMixin
if sys.version_info[0] >= 3:
basestring = str
def ascii_to_binary(ascii_file, binary_file):
"""Convert an ACE file in ASCII format (type 1) to binary format (type 2).
@ -156,7 +153,7 @@ class Library(EqualityMixin):
"""
def __init__(self, filename, table_names=None, verbose=False):
if isinstance(table_names, basestring):
if isinstance(table_names, string_types):
table_names = [table_names]
if table_names is not None:
table_names = set(table_names)

6
openmc/data/angle_energy.py
View file

@ -1,15 +1,15 @@
from abc import ABCMeta, abstractmethod
from io import StringIO
from six import add_metaclass
import openmc.data
from openmc.mixin import EqualityMixin
@add_metaclass(ABCMeta)
class AngleEnergy(EqualityMixin):
"""Distribution in angle and energy of a secondary particle."""
__metaclass = ABCMeta
@abstractmethod
def to_hdf5(self, group):
pass

5
openmc/data/energy_distribution.py
View file

@ -3,6 +3,7 @@ from collections import Iterable
from numbers import Integral, Real
from warnings import warn
from six import add_metaclass
import numpy as np
from .function import Tabulated1D, INTERPOLATION_SCHEME
@ -12,11 +13,9 @@ from openmc.mixin import EqualityMixin
from .endf import get_tab1_record, get_tab2_record
@add_metaclass(ABCMeta)
class EnergyDistribution(EqualityMixin):
"""Abstract superclass for all energy distributions."""
__metaclass__ = ABCMeta
def __init__(self):
pass

0
data/fission_Q_data_endfb71.h5 → openmc/data/fission_Q_data_endfb71.h5
View file

3
openmc/data/fission_energy.py
View file

@ -12,9 +12,6 @@ from .function import Function1D, Tabulated1D, Polynomial, Sum
import openmc.checkvalue as cv
from openmc.mixin import EqualityMixin
if sys.version_info[0] >= 3:
basestring = str
def _extract_458_data(ev, units='eV'):
"""Read an ENDF file and extract the MF=1, MT=458 values.

5
openmc/data/function.py
View file

@ -2,6 +2,7 @@ from abc import ABCMeta, abstractmethod
from collections import Iterable, Callable
from numbers import Real, Integral
from six import add_metaclass
import numpy as np
import openmc.data
@ -12,11 +13,9 @@ INTERPOLATION_SCHEME = {1: 'histogram', 2: 'linear-linear', 3: 'linear-log',
4: 'log-linear', 5: 'log-log'}
@add_metaclass(ABCMeta)
class Function1D(EqualityMixin):
"""A function of one independent variable with HDF5 support."""
__metaclass__ = ABCMeta
@abstractmethod
def __call__(self): pass

8
openmc/data/neutron.py
View file

@ -5,6 +5,7 @@ from itertools import chain
from numbers import Integral, Real
from warnings import warn
from six import string_types
import numpy as np
import h5py
@ -20,9 +21,6 @@ from .urr import ProbabilityTables
import openmc.checkvalue as cv
from openmc.mixin import EqualityMixin
if sys.version_info[0] >= 3:
basestring = str
def _get_metadata(zaid, metastable_scheme='nndc'):
"""Return basic identifying data for a nuclide with a given ZAID.
@ -235,7 +233,7 @@ class IncidentNeutron(EqualityMixin):
@name.setter
def name(self, name):
cv.check_type('name', name, basestring)
cv.check_type('name', name, string_types)
self._name = name
@property
@ -291,7 +289,7 @@ class IncidentNeutron(EqualityMixin):
def urr(self, urr):
cv.check_type('probability table dictionary', urr, MutableMapping)
for key, value in urr:
cv.check_type('probability table temperature', key, basestring)
cv.check_type('probability table temperature', key, string_types)
cv.check_type('probability tables', value, ProbabilityTables)
self._urr = urr

6
openmc/data/product.py
View file

@ -3,6 +3,7 @@ from io import StringIO
from numbers import Real
import sys
from six import string_types
import numpy as np
import openmc.checkvalue as cv
@ -10,9 +11,6 @@ from openmc.mixin import EqualityMixin
from .angle_energy import AngleEnergy
from .function import Tabulated1D, Polynomial, Function1D
if sys.version_info[0] >= 3:
basestring = str
class Product(EqualityMixin):
"""Secondary particle emitted in a nuclear reaction
@ -115,7 +113,7 @@ class Product(EqualityMixin):
@particle.setter
def particle(self, particle):
cv.check_type('product particle type', particle, basestring)
cv.check_type('product particle type', particle, string_types)
self._particle = particle
@yield_.setter

3
openmc/data/reaction.py
View file

@ -5,6 +5,7 @@ from numbers import Real, Integral
from warnings import warn
from io import StringIO
from six import string_types
import numpy as np
import openmc.checkvalue as cv
@ -769,7 +770,7 @@ class Reaction(EqualityMixin):
def xs(self, xs):
cv.check_type('reaction cross section dictionary', xs, MutableMapping)
for key, value in xs.items():
cv.check_type('reaction cross section temperature', key, basestring)
cv.check_type('reaction cross section temperature', key, string_types)
cv.check_type('reaction cross section', value, Callable)
self._xs = xs

10
openmc/element.py
View file

@ -1,14 +1,12 @@
import re
import sys
from six import string_types
import openmc
from openmc.checkvalue import check_type, check_length
from openmc.data import NATURAL_ABUNDANCE
if sys.version_info[0] >= 3:
basestring = str
class Element(object):
"""A natural element used in a material via <element>. Internally, OpenMC will
@ -43,7 +41,7 @@ class Element(object):
return False
else:
return True
elif isinstance(other, basestring) and other == self.name:
elif isinstance(other, string_types) and other == self.name:
return True
else:
return False
@ -78,7 +76,7 @@ class Element(object):
@name.setter
def name(self, name):
check_type('element name', name, basestring)
check_type('element name', name, string_types)
check_length('element name', name, 1, 2)
self._name = name

5
openmc/executor.py
View file

@ -3,8 +3,7 @@ import subprocess
from numbers import Integral
import sys
if sys.version_info[0] >= 3:
basestring = str
from six import string_types
def _run(command, output, cwd):
@ -89,7 +88,7 @@ def run(particles=None, threads=None, geometry_debug=False,
if geometry_debug:
post_args += '-g '
if isinstance(restart_file, basestring):
if isinstance(restart_file, string_types):
post_args += '-r {0} '.format(restart_file)
if tracks:

9
openmc/filter.py
View file

@ -1,21 +1,17 @@
from abc import ABCMeta, abstractproperty
from collections import Iterable, OrderedDict
import copy
from six import with_metaclass
from numbers import Real, Integral
import sys
from xml.etree import ElementTree as ET
from six import add_metaclass
import numpy as np
import openmc
import openmc.checkvalue as cv
if sys.version_info[0] >= 3:
basestring = str
_FILTER_TYPES = ['universe', 'material', 'cell', 'cellborn', 'surface',
'mesh', 'energy', 'energyout', 'mu', 'polar', 'azimuthal',
'distribcell', 'delayedgroup']
@ -37,7 +33,8 @@ class FilterMeta(ABCMeta):
**kwargs)
class Filter(with_metaclass(FilterMeta, object)):
@add_metaclass(FilterMeta)
class Filter(object):
"""Tally modifier that describes phase-space and other characteristics.
Parameters

13
openmc/lattice.py
View file

@ -1,21 +1,20 @@
from __future__ import division
import abc
from abc import ABCMeta
from collections import OrderedDict, Iterable
from math import sqrt, floor
from numbers import Real, Integral
from xml.etree import ElementTree as ET
import sys
from six import add_metaclass, string_types
import numpy as np
import openmc.checkvalue as cv
import openmc
if sys.version_info[0] >= 3:
basestring = str
@add_metaclass(ABCMeta)
class Lattice(object):
"""A repeating structure wherein each element is a universe.
@ -42,10 +41,6 @@ class Lattice(object):
of the lattice
"""
# This is an abstract class which cannot be instantiated
__metaclass__ = abc.ABCMeta
def __init__(self, lattice_id=None, name=''):
# Initialize Lattice class attributes
self.id = lattice_id
@ -106,7 +101,7 @@ class Lattice(object):
@name.setter
def name(self, name):
if name is not None:
cv.check_type('lattice name', name, basestring)
cv.check_type('lattice name', name, string_types)
self._name = name
else:
self._name = ''

9
openmc/macroscopic.py
View file

@ -1,9 +1,8 @@
import sys
from openmc.checkvalue import check_type
from six import string_types
if sys.version_info[0] >= 3:
basestring = str
from openmc.checkvalue import check_type
class Macroscopic(object):
@ -34,7 +33,7 @@ class Macroscopic(object):
return False
else:
return True
elif isinstance(other, basestring) and other == self.name:
elif isinstance(other, string_types) and other == self.name:
return True
else:
return False
@ -55,5 +54,5 @@ class Macroscopic(object):
@name.setter
def name(self, name):
check_type('name', name, basestring)
check_type('name', name, string_types)
self._name = name

17
openmc/material.py
View file

@ -5,14 +5,13 @@ import warnings
from xml.etree import ElementTree as ET
import sys
from six import string_types
import openmc
import openmc.data
import openmc.checkvalue as cv
from openmc.clean_xml import sort_xml_elements, clean_xml_indentation
if sys.version_info[0] >= 3:
basestring = str
# A static variable for auto-generated Material IDs
AUTO_MATERIAL_ID = 10000
@ -207,7 +206,7 @@ class Material(object):
def name(self, name):
if name is not None:
cv.check_type('name for Material ID="{0}"'.format(self._id),
name, basestring)
name, string_types)
self._name = name
else:
self._name = ''
@ -256,7 +255,7 @@ class Material(object):
warnings.warn('This feature is not yet implemented in a release '
'version of openmc')
if not isinstance(filename, basestring) and filename is not None:
if not isinstance(filename, string_types) and filename is not None:
msg = 'Unable to add OTF material file to Material ID="{0}" with a ' \
'non-string name "{1}"'.format(self._id, filename)
raise ValueError(msg)
@ -290,7 +289,7 @@ class Material(object):
'macroscopic data-set has already been added'.format(self._id)
raise ValueError(msg)
if not isinstance(nuclide, (openmc.Nuclide, basestring)):
if not isinstance(nuclide, string_types + (openmc.Nuclide,)):
msg = 'Unable to add a Nuclide to Material ID="{0}" with a ' \
'non-Nuclide value "{1}"'.format(self._id, nuclide)
raise ValueError(msg)
@ -355,7 +354,7 @@ class Material(object):
'has already been added'.format(self._id, macroscopic)
raise ValueError(msg)
if not isinstance(macroscopic, (openmc.Macroscopic, basestring)):
if not isinstance(macroscopic, string_types + (openmc.Macroscopic,)):
msg = 'Unable to add a Macroscopic to Material ID="{0}" with a ' \
'non-Macroscopic value "{1}"'.format(self._id, macroscopic)
raise ValueError(msg)
@ -425,7 +424,7 @@ class Material(object):
'macroscopic data-set has already been added'.format(self._id)
raise ValueError(msg)
if not isinstance(element, (openmc.Element, basestring)):
if not isinstance(element, string_types + (openmc.Element,)):
msg = 'Unable to add an Element to Material ID="{0}" with a ' \
'non-Element value "{1}"'.format(self._id, element)
raise ValueError(msg)
@ -490,7 +489,7 @@ class Material(object):
'macroscopic data-set has already been added'.format(self._id)
raise ValueError(msg)
if not isinstance(name, basestring):
if not isinstance(name, string_types):
msg = 'Unable to add an S(a,b) table to Material ID="{0}" with a ' \
'non-string table name "{1}"'.format(self._id, name)
raise ValueError(msg)

8
openmc/mesh.py
View file

@ -3,15 +3,13 @@ from numbers import Real, Integral
from xml.etree import ElementTree as ET
import sys
from six import string_types
import numpy as np
import openmc.checkvalue as cv
import openmc
if sys.version_info[0] >= 3:
basestring = str
# "Static" variable for auto-generated and Mesh IDs
AUTO_MESH_ID = 10000
@ -131,7 +129,7 @@ class Mesh(object):
def name(self, name):
if name is not None:
cv.check_type('name for mesh ID="{0}"'.format(self._id),
name, basestring)
name, string_types)
self._name = name
else:
self._name = ''
@ -139,7 +137,7 @@ class Mesh(object):
@type.setter
def type(self, meshtype):
cv.check_type('type for mesh ID="{0}"'.format(self._id),
meshtype, basestring)
meshtype, string_types)
cv.check_value('type for mesh ID="{0}"'.format(self._id),
meshtype, ['regular'])
self._type = meshtype

4
openmc/mgxs/groups.py
View file

@ -8,10 +8,6 @@ import numpy as np
import openmc.checkvalue as cv
if sys.version_info[0] >= 3:
basestring = str
class EnergyGroups(object):
"""An energy groups structure used for multi-group cross-sections.

80
openmc/mgxs/library.py
View file

@ -6,6 +6,7 @@ from numbers import Integral
from collections import OrderedDict
from warnings import warn
from six import string_types
import numpy as np
import openmc
@ -14,10 +15,6 @@ import openmc.checkvalue as cv
from openmc.tallies import ESTIMATOR_TYPES
if sys.version_info[0] >= 3:
basestring = str
class Library(object):
"""A multi-energy-group and multi-delayed-group cross section library for
some energy group structure.
@ -66,8 +63,8 @@ class Library(object):
The highest legendre moment in the scattering matrices (default is 0)
energy_groups : openmc.mgxs.EnergyGroups
Energy group structure for energy condensation
delayed_groups : list of int
Delayed groups to filter out the xs
num_delayed_groups : int
Number of delayed groups
estimator : str or None
The tally estimator used to compute multi-group cross sections. If None,
the default for each MGXS type is used.
@ -102,7 +99,7 @@ class Library(object):
self._domain_type = None
self._domains = 'all'
self._energy_groups = None
self._delayed_groups = None
self._num_delayed_groups = 0
self._correction = 'P0'
self._legendre_order = 0
self._tally_trigger = None
@ -135,7 +132,7 @@ class Library(object):
clone._correction = self.correction
clone._legendre_order = self.legendre_order
clone._energy_groups = copy.deepcopy(self.energy_groups, memo)
clone._delayed_groups = copy.deepcopy(self.delayed_groups, memo)
clone._num_delayed_groups = self.num_delayed_groups
clone._tally_trigger = copy.deepcopy(self.tally_trigger, memo)
clone._all_mgxs = copy.deepcopy(self.all_mgxs)
clone._sp_filename = self._sp_filename
@ -205,8 +202,8 @@ class Library(object):
return self._energy_groups
@property
def delayed_groups(self):
return self._delayed_groups
def num_delayed_groups(self):
return self._num_delayed_groups
@property
def correction(self):
@ -228,13 +225,6 @@ class Library(object):
def num_groups(self):
return self.energy_groups.num_groups
@property
def num_delayed_groups(self):
if self.delayed_groups == None:
return 0
else:
return len(self.delayed_groups)
@property
def all_mgxs(self):
return self._all_mgxs
@ -259,7 +249,7 @@ class Library(object):
@name.setter
def name(self, name):
cv.check_type('name', name, basestring)
cv.check_type('name', name, string_types)
self._name = name
@mgxs_types.setter
@ -268,7 +258,7 @@ class Library(object):
if mgxs_types == 'all':
self._mgxs_types = all_mgxs_types
else:
cv.check_iterable_type('mgxs_types', mgxs_types, basestring)
cv.check_iterable_type('mgxs_types', mgxs_types, string_types)
for mgxs_type in mgxs_types:
cv.check_value('mgxs_type', mgxs_type, all_mgxs_types)
self._mgxs_types = mgxs_types
@ -334,22 +324,14 @@ class Library(object):
cv.check_type('energy groups', energy_groups, openmc.mgxs.EnergyGroups)
self._energy_groups = energy_groups
@delayed_groups.setter
def delayed_groups(self, delayed_groups):
@num_delayed_groups.setter
def num_delayed_groups(self, num_delayed_groups):
if delayed_groups != None:
cv.check_type('delayed groups', delayed_groups, list, int)
cv.check_greater_than('num delayed groups', len(delayed_groups), 0)
# Check that the groups are within [1, MAX_DELAYED_GROUPS]
for group in delayed_groups:
cv.check_greater_than('delayed group', group, 0)
cv.check_less_than('delayed group', group,
openmc.mgxs.MAX_DELAYED_GROUPS,
equality=True)
self._delayed_groups = delayed_groups
cv.check_less_than('num delayed groups', num_delayed_groups,
openmc.mgxs.MAX_DELAYED_GROUPS, equality=True)
cv.check_greater_than('num delayed groups', num_delayed_groups, 0,
equality=True)
self._num_delayed_groups = num_delayed_groups
@correction.setter
def correction(self, correction):
@ -434,7 +416,12 @@ class Library(object):
mgxs.estimator = self.estimator
if mgxs_type in openmc.mgxs.MDGXS_TYPES:
mgxs.delayed_groups = self.delayed_groups
if self.num_delayed_groups == 0:
mgxs.delayed_groups = None
else:
delayed_groups \
= list(range(1,self.num_delayed_groups+1))
mgxs.delayed_groups = delayed_groups
# If a tally trigger was specified, add it to the MGXS
if self.tally_trigger is not None:
@ -730,8 +717,8 @@ class Library(object):
'since a statepoint has not yet been loaded'
raise ValueError(msg)
cv.check_type('filename', filename, basestring)
cv.check_type('directory', directory, basestring)
cv.check_type('filename', filename, string_types)
cv.check_type('directory', directory, string_types)
import h5py
@ -773,8 +760,8 @@ class Library(object):
"""
cv.check_type('filename', filename, basestring)
cv.check_type('directory', directory, basestring)
cv.check_type('filename', filename, string_types)
cv.check_type('directory', directory, string_types)
# Make directory if it does not exist
if not os.path.exists(directory):
@ -808,8 +795,8 @@ class Library(object):
"""
cv.check_type('filename', filename, basestring)
cv.check_type('directory', directory, basestring)
cv.check_type('filename', filename, string_types)
cv.check_type('directory', directory, string_types)
# Make directory if it does not exist
if not os.path.exists(directory):
@ -873,8 +860,8 @@ class Library(object):
cv.check_type('domain', domain, (openmc.Material, openmc.Cell,
openmc.Universe, openmc.Mesh))
cv.check_type('xsdata_name', xsdata_name, basestring)
cv.check_type('nuclide', nuclide, basestring)
cv.check_type('xsdata_name', xsdata_name, string_types)
cv.check_type('nuclide', nuclide, string_types)
cv.check_value('xs_type', xs_type, ['macro', 'micro'])
cv.check_type('order', order, (type(None), Integral))
if order is not None:
@ -899,7 +886,7 @@ class Library(object):
if nuclide != 'total':
name += '_' + nuclide
xsdata = openmc.XSdata(name, self.energy_groups)
xsdata.delayed_groups = self.num_delayed_groups
xsdata.num_delayed_groups = self.num_delayed_groups
if order is None:
# Set the order to the Library's order (the defualt behavior)
@ -1100,7 +1087,7 @@ class Library(object):
cv.check_value('xs_type', xs_type, ['macro', 'micro'])
if xsdata_names is not None:
cv.check_iterable_type('xsdata_names', xsdata_names, basestring)
cv.check_iterable_type('xsdata_names', xsdata_names, string_types)
# If gathering material-specific data, set the xs_type to macro
if not self.by_nuclide:
@ -1108,7 +1095,8 @@ class Library(object):
# Initialize file
mgxs_file = openmc.MGXSLibrary(self.energy_groups,
delayed_groups=self.num_delayed_groups)
num_delayed_groups=\
self.num_delayed_groups)
if self.domain_type == 'mesh':
# Create the xsdata objects and add to the mgxs_file

49
openmc/mgxs/mdgxs.py
View file

@ -6,8 +6,9 @@ import warnings
import os
import sys
import copy
import abc
from abc import ABCMeta
from six import add_metaclass, string_types
import numpy as np
import openmc
@ -15,8 +16,6 @@ from openmc.mgxs import MGXS
from openmc.mgxs.mgxs import _DOMAIN_TO_FILTER
import openmc.checkvalue as cv
if sys.version_info[0] >= 3:
basestring = str
# Supported cross section types
MDGXS_TYPES = ['delayed-nu-fission',
@ -29,6 +28,7 @@ MDGXS_TYPES = ['delayed-nu-fission',
MAX_DELAYED_GROUPS = 8
@add_metaclass(ABCMeta)
class MDGXS(MGXS):
"""An abstract multi-delayed-group cross section for some energy and delayed
group structures within some spatial domain.
@ -118,10 +118,6 @@ class MDGXS(MGXS):
The key used to index multi-group cross sections in an HDF5 data store
"""
# This is an abstract class which cannot be instantiated
__metaclass__ = abc.ABCMeta
def __init__(self, domain=None, domain_type=None, energy_groups=None,
delayed_groups=None, by_nuclide=False, name=''):
super(MDGXS, self).__init__(domain, domain_type, energy_groups,
@ -189,7 +185,7 @@ class MDGXS(MGXS):
cv.check_less_than('delayed group', group, MAX_DELAYED_GROUPS,
equality=True)
self._delayed_groups = delayed_groups
self._delayed_groups = delayed_groups
@property
def filters(self):
@ -326,7 +322,7 @@ class MDGXS(MGXS):
filter_bins = []
# Construct a collection of the domain filter bins
if not isinstance(subdomains, basestring):
if not isinstance(subdomains, string_types):
cv.check_iterable_type('subdomains', subdomains, Integral,
max_depth=3)
for subdomain in subdomains:
@ -334,7 +330,7 @@ class MDGXS(MGXS):
filter_bins.append((subdomain,))
# Construct list of energy group bounds tuples for all requested groups
if not isinstance(groups, basestring):
if not isinstance(groups, string_types):
cv.check_iterable_type('groups', groups, Integral)
for group in groups:
filters.append(openmc.EnergyFilter)
@ -342,7 +338,7 @@ class MDGXS(MGXS):
(self.energy_groups.get_group_bounds(group),))
# Construct list of delayed group tuples for all requested groups
if not isinstance(delayed_groups, basestring):
if not isinstance(delayed_groups, string_types):
cv.check_type('delayed groups', delayed_groups, list, int)
for delayed_group in delayed_groups:
filters.append(openmc.DelayedGroupFilter)
@ -438,7 +434,7 @@ class MDGXS(MGXS):
"""
cv.check_iterable_type('nuclides', nuclides, basestring)
cv.check_iterable_type('nuclides', nuclides, string_types)
cv.check_iterable_type('energy_groups', groups, Integral)
cv.check_type('delayed groups', delayed_groups, list, int)
@ -548,7 +544,7 @@ class MDGXS(MGXS):
return
# Construct a collection of the subdomains to report
if not isinstance(subdomains, basestring):
if not isinstance(subdomains, string_types):
cv.check_iterable_type('subdomains', subdomains, Integral)
elif self.domain_type == 'distribcell':
subdomains = np.arange(self.num_subdomains, dtype=np.int)
@ -565,7 +561,7 @@ class MDGXS(MGXS):
elif nuclides == 'sum':
nuclides = ['sum']
else:
cv.check_iterable_type('nuclides', nuclides, basestring)
cv.check_iterable_type('nuclides', nuclides, string_types)
else:
nuclides = ['sum']
@ -655,8 +651,8 @@ class MDGXS(MGXS):
"""
cv.check_type('filename', filename, basestring)
cv.check_type('directory', directory, basestring)
cv.check_type('filename', filename, string_types)
cv.check_type('directory', directory, string_types)
cv.check_value('format', format, ['csv', 'excel', 'pickle', 'latex'])
cv.check_value('xs_type', xs_type, ['macro', 'micro'])
@ -746,11 +742,11 @@ class MDGXS(MGXS):
"""
if not isinstance(groups, basestring):
if not isinstance(groups, string_types):
cv.check_iterable_type('groups', groups, Integral)
if nuclides != 'all' and nuclides != 'sum':
cv.check_iterable_type('nuclides', nuclides, basestring)
if not isinstance(delayed_groups, basestring):
cv.check_iterable_type('nuclides', nuclides, string_types)
if not isinstance(delayed_groups, string_types):
cv.check_type('delayed groups', delayed_groups, list, int)
cv.check_value('xs_type', xs_type, ['macro', 'micro'])
@ -825,7 +821,7 @@ class MDGXS(MGXS):
columns = ['group in']
# Select out those groups the user requested
if not isinstance(groups, basestring):
if not isinstance(groups, string_types):
if 'group in' in df:
df = df[df['group in'].isin(groups)]
if 'group out' in df:
@ -1216,7 +1212,7 @@ class ChiDelayed(MDGXS):
filter_bins = []
# Construct a collection of the domain filter bins
if not isinstance(subdomains, basestring):
if not isinstance(subdomains, string_types):
cv.check_iterable_type('subdomains', subdomains, Integral,
max_depth=3)
for subdomain in subdomains:
@ -1224,7 +1220,7 @@ class ChiDelayed(MDGXS):
filter_bins.append((subdomain,))
# Construct list of energy group bounds tuples for all requested groups
if not isinstance(groups, basestring):
if not isinstance(groups, string_types):
cv.check_iterable_type('groups', groups, Integral)
for group in groups:
filters.append(openmc.EnergyoutFilter)
@ -1232,7 +1228,7 @@ class ChiDelayed(MDGXS):
(self.energy_groups.get_group_bounds(group),))
# Construct list of delayed group tuples for all requested groups
if not isinstance(delayed_groups, basestring):
if not isinstance(delayed_groups, string_types):
cv.check_type('delayed groups', delayed_groups, list, int)
for delayed_group in delayed_groups:
filters.append(openmc.DelayedGroupFilter)
@ -1280,7 +1276,7 @@ class ChiDelayed(MDGXS):
# Get chi delayed for user-specified nuclides in the domain
else:
cv.check_iterable_type('nuclides', nuclides, basestring)
cv.check_iterable_type('nuclides', nuclides, string_types)
xs = self.xs_tally.get_values(filters=filters,
filter_bins=filter_bins,
nuclides=nuclides, value=value)
@ -1472,6 +1468,11 @@ class Beta(MDGXS):
\beta_{d,g} &= \frac{\langle \nu^d \sigma_f \phi \rangle}
{\langle \nu \sigma_f \phi \rangle}
NOTE: The Beta MGXS is the delayed neutron fraction computed directly from
the nuclear data. Often the delayed neutron fraction is
"importance-weighted" by the adjoint flux and called "beta-effective". It
is important to make clear that this Beta is not importance-weighted.
Parameters
----------
domain : openmc.Material or openmc.Cell or openmc.Universe or openmc.Mesh

74
openmc/mgxs/mgxs.py
View file

@ -6,9 +6,10 @@ import warnings
import os
import sys
import copy
import abc
from abc import ABCMeta
import itertools
from six import add_metaclass, string_types
import numpy as np
import openmc
@ -16,9 +17,6 @@ import openmc.checkvalue as cv
from openmc.tallies import ESTIMATOR_TYPES
from openmc.mgxs import EnergyGroups
if sys.version_info[0] >= 3:
basestring = str
# Supported cross section types
MGXS_TYPES = ['total',
@ -62,6 +60,7 @@ _DOMAINS = (openmc.Cell,
openmc.Mesh)
@add_metaclass(ABCMeta)
class MGXS(object):
"""An abstract multi-group cross section for some energy group structure
within some spatial domain.
@ -146,10 +145,6 @@ class MGXS(object):
The key used to index multi-group cross sections in an HDF5 data store
"""
# This is an abstract class which cannot be instantiated
__metaclass__ = abc.ABCMeta
def __init__(self, domain=None, domain_type=None,
energy_groups=None, by_nuclide=False, name=''):
self._name = ''
@ -369,7 +364,7 @@ class MGXS(object):
@name.setter
def name(self, name):
cv.check_type('name', name, basestring)
cv.check_type('name', name, string_types)
self._name = name
@by_nuclide.setter
@ -379,7 +374,7 @@ class MGXS(object):
@nuclides.setter
def nuclides(self, nuclides):
cv.check_iterable_type('nuclides', nuclides, basestring)
cv.check_iterable_type('nuclides', nuclides, string_types)
self._nuclides = nuclides
@estimator.setter
@ -565,7 +560,7 @@ class MGXS(object):
"""
cv.check_type('nuclide', nuclide, basestring)
cv.check_type('nuclide', nuclide, string_types)
# Get list of all nuclides in the spatial domain
nuclides = self.domain.get_nuclide_densities()
@ -791,7 +786,7 @@ class MGXS(object):
filter_bins = []
# Construct a collection of the domain filter bins
if not isinstance(subdomains, basestring):
if not isinstance(subdomains, string_types):
cv.check_iterable_type('subdomains', subdomains, Integral,
max_depth=3)
for subdomain in subdomains:
@ -799,7 +794,7 @@ class MGXS(object):
filter_bins.append((subdomain,))
# Construct list of energy group bounds tuples for all requested groups
if not isinstance(groups, basestring):
if not isinstance(groups, string_types):
cv.check_iterable_type('groups', groups, Integral)
for group in groups:
filters.append(openmc.EnergyFilter)
@ -961,7 +956,7 @@ class MGXS(object):
"""
# Construct a collection of the subdomain filter bins to average across
if not isinstance(subdomains, basestring):
if not isinstance(subdomains, string_types):
cv.check_iterable_type('subdomains', subdomains, Integral)
elif self.domain_type == 'distribcell':
subdomains = np.arange(self.num_subdomains)
@ -1016,7 +1011,7 @@ class MGXS(object):
"""
cv.check_iterable_type('nuclides', nuclides, basestring)
cv.check_iterable_type('nuclides', nuclides, string_types)
cv.check_iterable_type('energy_groups', groups, Integral)
# Build lists of filters and filter bins to slice
@ -1170,7 +1165,7 @@ class MGXS(object):
"""
# Construct a collection of the subdomains to report
if not isinstance(subdomains, basestring):
if not isinstance(subdomains, string_types):
cv.check_iterable_type('subdomains', subdomains, Integral)
elif self.domain_type == 'distribcell':
subdomains = np.arange(self.num_subdomains, dtype=np.int)
@ -1187,7 +1182,7 @@ class MGXS(object):
elif nuclides == 'sum':
nuclides = ['sum']
else:
cv.check_iterable_type('nuclides', nuclides, basestring)
cv.check_iterable_type('nuclides', nuclides, string_types)
else:
nuclides = ['sum']
@ -1305,7 +1300,7 @@ class MGXS(object):
xs_results = h5py.File(filename, 'w')
# Construct a collection of the subdomains to report
if not isinstance(subdomains, basestring):
if not isinstance(subdomains, string_types):
cv.check_iterable_type('subdomains', subdomains, Integral)
elif self.domain_type == 'distribcell':
subdomains = np.arange(self.num_subdomains, dtype=np.int)
@ -1326,7 +1321,7 @@ class MGXS(object):
elif nuclides == 'sum':
nuclides = ['sum']
else:
cv.check_iterable_type('nuclides', nuclides, basestring)
cv.check_iterable_type('nuclides', nuclides, string_types)
else:
nuclides = ['sum']
@ -1404,8 +1399,8 @@ class MGXS(object):
"""
cv.check_type('filename', filename, basestring)
cv.check_type('directory', directory, basestring)
cv.check_type('filename', filename, string_types)
cv.check_type('directory', directory, string_types)
cv.check_value('format', format, ['csv', 'excel', 'pickle', 'latex'])
cv.check_value('xs_type', xs_type, ['macro', 'micro'])
@ -1491,10 +1486,10 @@ class MGXS(object):
"""
if not isinstance(groups, basestring):
if not isinstance(groups, string_types):
cv.check_iterable_type('groups', groups, Integral)
if nuclides != 'all' and nuclides != 'sum':
cv.check_iterable_type('nuclides', nuclides, basestring)
cv.check_iterable_type('nuclides', nuclides, string_types)
cv.check_value('xs_type', xs_type, ['macro', 'micro'])
# Get a Pandas DataFrame from the derived xs tally
@ -1566,7 +1561,7 @@ class MGXS(object):
columns = ['group in']
# Select out those groups the user requested
if not isinstance(groups, basestring):
if not isinstance(groups, string_types):
if 'group in' in df:
df = df[df['group in'].isin(groups)]
if 'group out' in df:
@ -1619,6 +1614,7 @@ class MGXS(object):
return 'cm^-1' if xs_type == 'macro' else 'barns'
@add_metaclass(ABCMeta)
class MatrixMGXS(MGXS):
"""An abstract multi-group cross section for some energy group structure
within some spatial domain. This class is specifically intended for
@ -1706,10 +1702,6 @@ class MatrixMGXS(MGXS):
The key used to index multi-group cross sections in an HDF5 data store
"""
# This is an abstract class which cannot be instantiated
__metaclass__ = abc.ABCMeta
@property
def filters(self):
# Create the non-domain specific Filters for the Tallies
@ -1789,7 +1781,7 @@ class MatrixMGXS(MGXS):
filter_bins = []
# Construct a collection of the domain filter bins
if not isinstance(subdomains, basestring):
if not isinstance(subdomains, string_types):
cv.check_iterable_type('subdomains', subdomains, Integral,
max_depth=3)
for subdomain in subdomains:
@ -1797,7 +1789,7 @@ class MatrixMGXS(MGXS):
filter_bins.append((subdomain,))
# Construct list of energy group bounds tuples for all requested groups
if not isinstance(in_groups, basestring):
if not isinstance(in_groups, string_types):
cv.check_iterable_type('groups', in_groups, Integral)
for group in in_groups:
filters.append(openmc.EnergyFilter)
@ -1805,7 +1797,7 @@ class MatrixMGXS(MGXS):
self.energy_groups.get_group_bounds(group),))
# Construct list of energy group bounds tuples for all requested groups
if not isinstance(out_groups, basestring):
if not isinstance(out_groups, string_types):
cv.check_iterable_type('groups', out_groups, Integral)
for group in out_groups:
filters.append(openmc.EnergyoutFilter)
@ -1951,7 +1943,7 @@ class MatrixMGXS(MGXS):
"""
# Construct a collection of the subdomains to report
if not isinstance(subdomains, basestring):
if not isinstance(subdomains, string_types):
cv.check_iterable_type('subdomains', subdomains, Integral)
elif self.domain_type == 'distribcell':
subdomains = np.arange(self.num_subdomains, dtype=np.int)
@ -1968,7 +1960,7 @@ class MatrixMGXS(MGXS):
if nuclides == 'sum':
nuclides = ['sum']
else:
cv.check_iterable_type('nuclides', nuclides, basestring)
cv.check_iterable_type('nuclides', nuclides, string_types)
else:
nuclides = ['sum']
@ -3624,21 +3616,21 @@ class ScatterMatrixXS(MatrixMGXS):
filter_bins = []
# Construct a collection of the domain filter bins
if not isinstance(subdomains, basestring):
if not isinstance(subdomains, string_types):
cv.check_iterable_type('subdomains', subdomains, Integral, max_depth=3)
for subdomain in subdomains:
filters.append(_DOMAIN_TO_FILTER[self.domain_type])
filter_bins.append((subdomain,))
# Construct list of energy group bounds tuples for all requested groups
if not isinstance(in_groups, basestring):
if not isinstance(in_groups, string_types):
cv.check_iterable_type('groups', in_groups, Integral)
for group in in_groups:
filters.append(openmc.EnergyFilter)
filter_bins.append((self.energy_groups.get_group_bounds(group),))
# Construct list of energy group bounds tuples for all requested groups
if not isinstance(out_groups, basestring):
if not isinstance(out_groups, string_types):
cv.check_iterable_type('groups', out_groups, Integral)
for group in out_groups:
filters.append(openmc.EnergyoutFilter)
@ -3812,7 +3804,7 @@ class ScatterMatrixXS(MatrixMGXS):
"""
# Construct a collection of the subdomains to report
if not isinstance(subdomains, basestring):
if not isinstance(subdomains, string_types):
cv.check_iterable_type('subdomains', subdomains, Integral)
elif self.domain_type == 'distribcell':
subdomains = np.arange(self.num_subdomains, dtype=np.int)
@ -3829,7 +3821,7 @@ class ScatterMatrixXS(MatrixMGXS):
if nuclides == 'sum':
nuclides = ['sum']
else:
cv.check_iterable_type('nuclides', nuclides, basestring)
cv.check_iterable_type('nuclides', nuclides, string_types)
else:
nuclides = ['sum']
@ -4612,14 +4604,14 @@ class Chi(MGXS):
filter_bins = []
# Construct a collection of the domain filter bins
if not isinstance(subdomains, basestring):
if not isinstance(subdomains, string_types):
cv.check_iterable_type('subdomains', subdomains, Integral, max_depth=3)
for subdomain in subdomains:
filters.append(_DOMAIN_TO_FILTER[self.domain_type])
filter_bins.append((subdomain,))
# Construct list of energy group bounds tuples for all requested groups
if not isinstance(groups, basestring):
if not isinstance(groups, string_types):
cv.check_iterable_type('groups', groups, Integral)
for group in groups:
filters.append(openmc.EnergyoutFilter)
@ -4664,7 +4656,7 @@ class Chi(MGXS):
# Get chi for user-specified nuclides in the domain
else:
cv.check_iterable_type('nuclides', nuclides, basestring)
cv.check_iterable_type('nuclides', nuclides, string_types)
xs = self.xs_tally.get_values(filters=filters,
filter_bins=filter_bins,
nuclides=nuclides, value=value)

327
openmc/mgxs_library.py
View file

@ -2,21 +2,21 @@ from collections import Iterable
from numbers import Real, Integral
import sys
from six import string_types
import numpy as np
import h5py
import openmc
import openmc.mgxs
from openmc.checkvalue import check_type, check_value, check_greater_than, \
check_iterable_type
check_iterable_type, check_less_than
if sys.version_info[0] >= 3:
basestring = str
# Supported incoming particle MGXS angular treatment representations
_REPRESENTATIONS = ['isotropic', 'angle']
_SCATTER_TYPES = ['tabular', 'legendre', 'histogram']
_SCATTER_SHAPES = ["[Order][G][G']"]
_XS_SHAPES = ["[Order][G][G']", "[G]", "[G']", "[G][G']", "[DG]", "[DG][G]",
"[DG][G']", "[DG][G][G']"]
class XSdata(object):
@ -35,7 +35,7 @@ class XSdata(object):
temperatures : Iterable of float
Temperatures (in units of Kelvin) of the provided datasets. Defaults
to a single temperature at 294K.
delayed_groups : int
num_delayed_groups : int
Number of delayed groups
Attributes
@ -50,14 +50,12 @@ class XSdata(object):
to a single temperature at 294K.
energy_groups : openmc.mgxs.EnergyGroups
Energy group structure
delayed_groups : int
num_delayed_groups : int
Num delayed groups
fissionable : bool
Whether or not this is a fissionable data set.
scatter_format : {'legendre', 'histogram', or 'tabular'}
Angular distribution representation (legendre, histogram, or tabular)
scatter_shapes : {"[Order][G][G']"}
Dimensionality of the scattering and multiplicity matrices
order : int
Either the Legendre order, number of bins, or number of points used to
describe the angular distribution associated with each group-to-group
@ -71,7 +69,8 @@ class XSdata(object):
is "angle".
num_polar : int
Number of equal width angular bins that the polar angular domain is
subdivided into. This only applies when ``representation`` is "angle".
subdivided into. This only applies when :attr:`XSdata.representation`
is "angle".
total : dict of numpy.ndarray
Group-wise total cross section.
absorption : dict of numpy.ndarray
@ -95,7 +94,7 @@ class XSdata(object):
approximation that the fission spectra does not depend on incoming
energy. If the user does not wish to make this approximation, then
this should not be provided and this information included in the
``nu_fission`` attribute instead.
:attr:`XSdata.nu_fission` attribute instead.
chi_prompt : dict of numpy.ndarray
Group-wise prompt fission spectra ordered by increasing group index
(i.e., fast to thermal). This attribute should be used if chi from
@ -114,25 +113,58 @@ class XSdata(object):
beta : dict of numpy.ndarray
Delayed-group-wise delayed neutron fraction cross section vector.
decay_rate : dict of numpy.ndarray
Delayed-group-wise decay rate cross section vector.
Delayed-group-wise decay rate vector.
inverse_velocity : dict of numpy.ndarray
Inverse of velocity, in units of sec/cm.
xs_shapes : dict of iterable of int
Dictionary with keys of _XS_SHAPES and iterable of int values with the
corresponding shapes where "Order" corresponds to the pn scattering
order, "G" corresponds to incoming energy group, "G'" corresponds to
outgoing energy group, and "DG" corresponds to delayed group.
Notes
-----
The parameters containing cross section data have dimensionalities which
depend upon the value of :attr:`XSdata.representation` as well as the
number of Legendre or other angular dimensions as described by
:attr:`XSdata.order`. The :attr:`XSdata.xs_shapes` are provided to obtain
the dimensionality of the data for each temperature.
The following are cross sections which should use each of the properties.
Note that some cross sections can be input in more than one shape so they
are listed multiple times:
[Order][G][G']: scatter_matrix
[G]: total, absorption, fission, kappa_fission, nu_fission,
prompt_nu_fission, inverse_velocity
[G']: chi, chi_prompt, chi_delayed
[G][G']: multiplicity_matrix, nu_fission, prompt_nu_fission
[DG]: beta, decay_rate
[DG][G]: delayed_nu_fission, beta, decay_rate
[DG][G']: chi_delayed
[DG][G][G']: delayed_nu_fission
"""
def __init__(self, name, energy_groups, temperatures=[294.],
representation='isotropic', delayed_groups=0):
representation='isotropic', num_delayed_groups=0):
# Initialize class attributes
self.name = name
self.energy_groups = energy_groups
self.delayed_groups = delayed_groups
self.num_delayed_groups = num_delayed_groups
self.temperatures = temperatures
self.representation = representation
self._atomic_weight_ratio = None
self._fissionable = False
self._scatter_format = 'legendre'
self._scatter_shape = "[Order][G][G']"
self._order = None
self._num_polar = None
self._num_azimuthal = None
@ -151,6 +183,7 @@ class XSdata(object):
self._beta = len(temperatures) * [None]
self._decay_rate = len(temperatures) * [None]
self._inverse_velocity = len(temperatures) * [None]
self._xs_shapes = None
@property
def name(self):
@ -161,8 +194,8 @@ class XSdata(object):
return self._energy_groups
@property
def delayed_groups(self):
return self._delayed_groups
def num_delayed_groups(self):
return self._num_delayed_groups
@property
def representation(self):
@ -184,10 +217,6 @@ class XSdata(object):
def scatter_format(self):
return self._scatter_format
@property
def scatter_shape(self):
return self._scatter_shape
@property
def order(self):
return self._order
@ -256,9 +285,39 @@ class XSdata(object):
else:
return self._order
@property
def xs_shapes(self):
if self._xs_shapes is None:
self._xs_shapes = {}
self._xs_shapes["[G]"] = (self.energy_groups.num_groups,)
self._xs_shapes["[G']"] = (self.energy_groups.num_groups,)
self._xs_shapes["[G][G']"] = (self.energy_groups.num_groups,
self.energy_groups.num_groups)
self._xs_shapes["[DG]"] = (self.num_delayed_groups,)
self._xs_shapes["[DG][G]"] = (self.num_delayed_groups,
self.energy_groups.num_groups)
self._xs_shapes["[DG][G']"] = (self.num_delayed_groups,
self.energy_groups.num_groups)
self._xs_shapes["[DG][G][G']"] = (self.num_delayed_groups,
self.energy_groups.num_groups,
self.energy_groups.num_groups)
self._xs_shapes["[Order][G][G']"] \
= (self.num_orders, self.energy_groups.num_groups,
self.energy_groups.num_groups)
# If representation is by angle prepend num polar and num azim
if self.representation == 'angle':
for key,shapes in self._xs_shapes.items():
self._xs_shapes[key] \
= (self.num_polar, self.num_azimuthal) + shapes
return self._xs_shapes
@name.setter
def name(self, name):
check_type('name for XSdata', name, basestring)
check_type('name for XSdata', name, string_types)
self._name = name
@energy_groups.setter
@ -274,14 +333,16 @@ class XSdata(object):
self._energy_groups = energy_groups
@delayed_groups.setter
def delayed_groups(self, delayed_groups):
@num_delayed_groups.setter
def num_delayed_groups(self, num_delayed_groups):
# Check validity of delayed_groups
check_type('delayed_groups', delayed_groups, int)
check_greater_than('delayed_groups', delayed_groups, 0, equality=True)
self._delayed_groups = delayed_groups
# Check validity of num_delayed_groups
check_type('num_delayed_groups', num_delayed_groups, int)
check_less_than('num_delayed_groups', num_delayed_groups,
openmc.mgxs.MAX_DELAYED_GROUPS, equality=True)
check_greater_than('num_delayed_groups', num_delayed_groups, 0,
equality=True)
self._num_delayed_groups = num_delayed_groups
@representation.setter
def representation(self, representation):
@ -292,6 +353,7 @@ class XSdata(object):
@atomic_weight_ratio.setter
def atomic_weight_ratio(self, atomic_weight_ratio):
# Check validity of type and that the atomic_weight_ratio value is > 0
check_type('atomic_weight_ratio', atomic_weight_ratio, Real)
check_greater_than('atomic_weight_ratio', atomic_weight_ratio, 0.0)
@ -299,8 +361,8 @@ class XSdata(object):
@temperatures.setter
def temperatures(self, temperatures):
check_iterable_type('temperatures', temperatures, Real)
check_iterable_type('temperatures', temperatures, Real)
self._temperatures = np.array(temperatures)
@scatter_format.setter
@ -310,12 +372,6 @@ class XSdata(object):
check_value('scatter_format', scatter_format, _SCATTER_TYPES)
self._scatter_format = scatter_format
@scatter_shape.setter
def scatter_shape(self, scatter_shape):
# check to see it is of a valid type and value
check_value('scatter_shape', scatter_shape, _SCATTER_SHAPES)
self._scatter_shape = scatter_shape
@order.setter
def order(self, order):
@ -393,11 +449,7 @@ class XSdata(object):
check_type('total', total, Iterable, expected_iter_type=Real)
# Get the accepted shapes for this xs
if self.representation is 'isotropic':
shapes = [(self.energy_groups.num_groups,)]
else:
shapes = [(self.num_polar, self.num_azimuthal,
self.energy_groups.num_groups)]
shapes = [self.xs_shapes["[G]"]]
# Convert to a numpy array so we can easily get the shape for checking
total = np.asarray(total)
@ -429,11 +481,7 @@ class XSdata(object):
check_type('absorption', absorption, Iterable, expected_iter_type=Real)
# Get the accepted shapes for this xs
if self.representation is 'isotropic':
shapes = [(self.energy_groups.num_groups,)]
else:
shapes = [(self.num_polar, self.num_azimuthal,
self.energy_groups.num_groups)]
shapes = [self.xs_shapes["[G]"]]
# Convert to a numpy array so we can easily get the shape for checking
absorption = np.asarray(absorption)
@ -465,11 +513,7 @@ class XSdata(object):
check_type('fission', fission, Iterable, expected_iter_type=Real)
# Get the accepted shapes for this xs
if self.representation is 'isotropic':
shapes = [(self.energy_groups.num_groups,)]
else:
shapes = [(self.num_polar, self.num_azimuthal,
self.energy_groups.num_groups)]
shapes = [self.xs_shapes["[G]"]]
# Convert to a numpy array so we can easily get the shape for checking
fission = np.asarray(fission)
@ -505,11 +549,7 @@ class XSdata(object):
expected_iter_type=Real)
# Get the accepted shapes for this xs
if self.representation is 'isotropic':
shapes = [(self.energy_groups.num_groups,)]
else:
shapes = [(self.num_polar, self.num_azimuthal,
self.energy_groups.num_groups)]
shapes = [self.xs_shapes["[G]"]]
# Convert to a numpy array so we can easily get the shape for checking
kappa_fission = np.asarray(kappa_fission)
@ -542,11 +582,7 @@ class XSdata(object):
"""
# Get the accepted shapes for this xs
if self.representation is 'isotropic':
shapes = [(self.energy_groups.num_groups,)]
else:
shapes = [(self.num_polar, self.num_azimuthal,
self.energy_groups.num_groups)]
shapes = [self.xs_shapes["[G']"]]
# Convert to a numpy array so we can easily get the shape for checking
chi = np.asarray(chi)
@ -576,11 +612,7 @@ class XSdata(object):
"""
# Get the accepted shapes for this xs
if self.representation is 'isotropic':
shapes = [(self.energy_groups.num_groups,)]
else:
shapes = [(self.num_polar, self.num_azimuthal,
self.energy_groups.num_groups)]
shapes = [self.xs_shapes["[G']"]]
# Convert to a numpy array so we can easily get the shape for checking
chi_prompt = np.asarray(chi_prompt)
@ -610,14 +642,7 @@ class XSdata(object):
"""
# Get the accepted shapes for this xs
if self.representation is 'isotropic':
shapes = [(self.energy_groups.num_groups,),
(self.delayed_groups, self.energy_groups.num_groups)]
else:
shapes = [(self.num_polar, self.num_azimuthal,
self.energy_groups.num_groups),
(self.delayed_groups, self.num_polar, self.num_azimuthal,
self.energy_groups.num_groups)]
shapes = [self.xs_shapes["[G']"], self.xs_shapes["[DG][G']"]]
# Convert to a numpy array so we can easily get the shape for checking
chi_delayed = np.asarray(chi_delayed)
@ -647,13 +672,7 @@ class XSdata(object):
"""
# Get the accepted shapes for this xs
if self.representation is 'isotropic':
shapes = [(self.delayed_groups,),
(self.delayed_groups, self.energy_groups.num_groups)]
else:
shapes = [(self.delayed_groups, self.num_polar, self.num_azimuthal,
self.energy_groups.num_groups),
(self.delayed_groups, self.num_polar, self.num_azimuthal)]
shapes = [self.xs_shapes["[DG]"], self.xs_shapes["[DG][G]"]]
# Convert to a numpy array so we can easily get the shape for checking
beta = np.asarray(beta)
@ -685,13 +704,7 @@ class XSdata(object):
check_type('decay_rate', decay_rate, Iterable, expected_iter_type=Real)
# Get the accepted shapes for this xs
if self.representation is 'isotropic':
shapes = [(self.delayed_groups,),
(self.delayed_groups, self.energy_groups.num_groups)]
else:
shapes = [(self.delayed_groups, self.num_polar, self.num_azimuthal,
self.energy_groups.num_groups),
(self.delayed_groups, self.num_polar, self.num_azimuthal)]
shapes = [self.xs_shapes["[DG]"], self.xs_shapes["[DG][G]"]]
# Convert to a numpy array so we can easily get the shape for checking
decay_rate = np.asarray(decay_rate)
@ -721,13 +734,7 @@ class XSdata(object):
"""
# Get the accepted shapes for this xs
if self.representation is 'isotropic':
shapes = [(self.num_orders, self.energy_groups.num_groups,
self.energy_groups.num_groups)]
else:
shapes = [(self.num_polar, self.num_azimuthal, self.num_orders,
self.energy_groups.num_groups,
self.energy_groups.num_groups)]
shapes = [self.xs_shapes["[Order][G][G']"]]
# Convert to a numpy array so we can easily get the shape for checking
scatter = np.asarray(scatter)
@ -759,13 +766,7 @@ class XSdata(object):
"""
# Get the accepted shapes for this xs
if self.representation is 'isotropic':
shapes = [(self.energy_groups.num_groups,
self.energy_groups.num_groups)]
else:
shapes = [(self.num_polar, self.num_azimuthal,
self.energy_groups.num_groups,
self.energy_groups.num_groups)]
shapes = [self.xs_shapes["[G][G']"]]
# Convert to a numpy array so we can easily get the shape for checking
multiplicity = np.asarray(multiplicity)
@ -797,16 +798,7 @@ class XSdata(object):
"""
# Get the accepted shapes for this xs
if self.representation is 'isotropic':
shapes = [(self.energy_groups.num_groups,),
(self.energy_groups.num_groups,
self.energy_groups.num_groups)]
else:
shapes = [(self.num_polar, self.num_azimuthal,
self.energy_groups.num_groups),
(self.num_polar, self.num_azimuthal,
self.energy_groups.num_groups,
self.energy_groups.num_groups)]
shapes = [self.xs_shapes["[G]"], self.xs_shapes["[G][G']"]]
# Convert to a numpy array so we can easily get the shape for checking
nu_fission = np.asarray(nu_fission)
@ -839,17 +831,8 @@ class XSdata(object):
"""
# Get the accepted shapes for this xs
if self.representation is 'isotropic':
shapes = [(self.energy_groups.num_groups,),
(self.energy_groups.num_groups,
self.energy_groups.num_groups)]
else:
shapes = [(self.num_polar, self.num_azimuthal,
self.energy_groups.num_groups),
(self.num_polar, self.num_azimuthal,
self.energy_groups.num_groups,
self.energy_groups.num_groups)]
# Get the accepted shapes for this xs
shapes = [self.xs_shapes["[G]"], self.xs_shapes["[G][G']"]]
# Convert to a numpy array so we can easily get the shape for checking
prompt_nu_fission = np.asarray(prompt_nu_fission)
@ -882,17 +865,8 @@ class XSdata(object):
"""
# Get the accepted shapes for this xs
if self.representation is 'isotropic':
shapes = [(self.delayed_groups, self.energy_groups.num_groups,),
(self.delayed_groups, self.energy_groups.num_groups,
self.energy_groups.num_groups)]
else:
shapes = [(self.delayed_groups, self.num_polar, self.num_azimuthal,
self.energy_groups.num_groups),
(self.delayed_groups, self.num_polar, self.num_azimuthal,
self.energy_groups.num_groups,
self.energy_groups.num_groups)]
# Get the accepted shapes for this xs
shapes = [self.xs_shapes["[DG][G]"], self.xs_shapes["[DG][G][G']"]]
# Convert to a numpy array so we can easily get the shape for checking
delayed_nu_fission = np.asarray(delayed_nu_fission)
@ -926,11 +900,7 @@ class XSdata(object):
expected_iter_type=Real)
# Get the accepted shapes for this xs
if self.representation is 'isotropic':
shapes = [(self.energy_groups.num_groups,)]
else:
shapes = [(self.num_polar, self.num_azimuthal,
self.energy_groups.num_groups)]
shapes = [self.xs_shapes["[G]"]]
# Convert to a numpy array so we can easily get the shape for checking
inv_vel = np.asarray(inv_vel)
@ -975,8 +945,7 @@ class XSdata(object):
check_type('total', total, (openmc.mgxs.TotalXS,
openmc.mgxs.TransportXS))
check_value('energy_groups', total.energy_groups, [self.energy_groups])
check_value('domain_type', total.domain_type,
['universe', 'cell', 'material', 'mesh'])
check_value('domain_type', total.domain_type, openmc.mgxs.DOMAIN_TYPES)
check_type('temperature', temperature, Real)
check_value('temperature', temperature, self.temperatures)
@ -1022,7 +991,7 @@ class XSdata(object):
check_value('energy_groups', absorption.energy_groups,
[self.energy_groups])
check_value('domain_type', absorption.domain_type,
['universe', 'cell', 'material', 'mesh'])
openmc.mgxs.DOMAIN_TYPES)
check_type('temperature', temperature, Real)
check_value('temperature', temperature, self.temperatures)
@ -1069,7 +1038,7 @@ class XSdata(object):
check_value('energy_groups', fission.energy_groups,
[self.energy_groups])
check_value('domain_type', fission.domain_type,
['universe', 'cell', 'material', 'mesh'])
openmc.mgxs.DOMAIN_TYPES)
check_type('temperature', temperature, Real)
check_value('temperature', temperature, self.temperatures)
@ -1117,7 +1086,7 @@ class XSdata(object):
check_value('energy_groups', nu_fission.energy_groups,
[self.energy_groups])
check_value('domain_type', nu_fission.domain_type,
['universe', 'cell', 'material', 'mesh'])
openmc.mgxs.DOMAIN_TYPES)
check_type('temperature', temperature, Real)
check_value('temperature', temperature, self.temperatures)
@ -1171,7 +1140,7 @@ class XSdata(object):
check_value('energy_groups', prompt_nu_fission.energy_groups,
[self.energy_groups])
check_value('domain_type', prompt_nu_fission.domain_type,
['universe', 'cell', 'material', 'mesh'])
openmc.mgxs.DOMAIN_TYPES)
check_type('temperature', temperature, Real)
check_value('temperature', temperature, self.temperatures)
@ -1225,10 +1194,10 @@ class XSdata(object):
openmc.mgxs.DelayedNuFissionMatrixXS))
check_value('energy_groups', delayed_nu_fission.energy_groups,
[self.energy_groups])
check_value('delayed_groups', delayed_nu_fission.num_delayed_groups,
[self.delayed_groups])
check_value('num_delayed_groups', delayed_nu_fission.num_delayed_groups,
[self.num_delayed_groups])
check_value('domain_type', delayed_nu_fission.domain_type,
['universe', 'cell', 'material', 'mesh'])
openmc.mgxs.DOMAIN_TYPES)
check_type('temperature', temperature, Real)
check_value('temperature', temperature, self.temperatures)
@ -1281,7 +1250,7 @@ class XSdata(object):
check_value('energy_groups', k_fission.energy_groups,
[self.energy_groups])
check_value('domain_type', k_fission.domain_type,
['universe', 'cell', 'material', 'mesh'])
openmc.mgxs.DOMAIN_TYPES)
check_type('temperature', temperature, Real)
check_value('temperature', temperature, self.temperatures)
@ -1325,8 +1294,7 @@ class XSdata(object):
check_type('chi', chi, openmc.mgxs.Chi)
check_value('energy_groups', chi.energy_groups, [self.energy_groups])
check_value('domain_type', chi.domain_type,
['universe', 'cell', 'material', 'mesh'])
check_value('domain_type', chi.domain_type, openmc.mgxs.DOMAIN_TYPES)
check_type('temperature', temperature, Real)
check_value('temperature', temperature, self.temperatures)
@ -1371,7 +1339,7 @@ class XSdata(object):
check_value('energy_groups', chi_prompt.energy_groups,
[self.energy_groups])
check_value('domain_type', chi_prompt.domain_type,
['universe', 'cell', 'material', 'mesh'])
openmc.mgxs.DOMAIN_TYPES)
check_type('temperature', temperature, Real)
check_value('temperature', temperature, self.temperatures)
@ -1416,10 +1384,10 @@ class XSdata(object):
check_type('chi_delayed', chi_delayed, openmc.mgxs.ChiDelayed)
check_value('energy_groups', chi_delayed.energy_groups,
[self.energy_groups])
check_value('delayed_groups', chi_delayed.num_delayed_groups,
[self.delayed_groups])
check_value('num_delayed_groups', chi_delayed.num_delayed_groups,
[self.num_delayed_groups])
check_value('domain_type', chi_delayed.domain_type,
['universe', 'cell', 'material', 'mesh'])
openmc.mgxs.DOMAIN_TYPES)
check_type('temperature', temperature, Real)
check_value('temperature', temperature, self.temperatures)
@ -1462,10 +1430,9 @@ class XSdata(object):
"""
check_type('beta', beta, openmc.mgxs.Beta)
check_value('delayed_groups', beta.num_delayed_groups,
[self.delayed_groups])
check_value('domain_type', beta.domain_type,
['universe', 'cell', 'material', 'mesh'])
check_value('num_delayed_groups', beta.num_delayed_groups,
[self.num_delayed_groups])
check_value('domain_type', beta.domain_type, openmc.mgxs.DOMAIN_TYPES)
check_type('temperature', temperature, Real)
check_value('temperature', temperature, self.temperatures)
@ -1508,10 +1475,10 @@ class XSdata(object):
"""
check_type('decay_rate', decay_rate, openmc.mgxs.DecayRate)
check_value('delayed_groups', decay_rate.num_delayed_groups,
[self.delayed_groups])
check_value('num_delayed_groups', decay_rate.num_delayed_groups,
[self.num_delayed_groups])
check_value('domain_type', decay_rate.domain_type,
['universe', 'cell', 'material', 'mesh'])
openmc.mgxs.DOMAIN_TYPES)
check_type('temperature', temperature, Real)
check_value('temperature', temperature, self.temperatures)
@ -1561,7 +1528,7 @@ class XSdata(object):
check_value('energy_groups', scatter.energy_groups,
[self.energy_groups])
check_value('domain_type', scatter.domain_type,
['universe', 'cell', 'material', 'mesh'])
openmc.mgxs.DOMAIN_TYPES)
check_type('temperature', temperature, Real)
check_value('temperature', temperature, self.temperatures)
@ -1643,7 +1610,7 @@ class XSdata(object):
check_value('energy_groups', nuscatter.energy_groups,
[self.energy_groups])
check_value('domain_type', nuscatter.domain_type,
['universe', 'cell', 'material', 'mesh'])
openmc.mgxs.DOMAIN_TYPES)
check_type('temperature', temperature, Real)
check_value('temperature', temperature, self.temperatures)
@ -1657,8 +1624,7 @@ class XSdata(object):
check_value('energy_groups', scatter.energy_groups,
[self.energy_groups])
check_value('domain_type', scatter.domain_type,
['universe', 'cell', 'material', 'mesh'])
openmc.mgxs.DOMAIN_TYPES)
i = np.where(self.temperatures == temperature)[0][0]
if self.representation == 'isotropic':
nuscatt = nuscatter.get_xs(nuclides=nuclide,
@ -1701,10 +1667,9 @@ class XSdata(object):
if self.num_polar is not None:
grp.attrs['num-polar'] = self.num_polar
grp.attrs['scatter_shape'] = np.string_("[Order][G][G']")
if self.scatter_format is not None:
grp.attrs['scatter_format'] = np.string_(self.scatter_format)
if self.scatter_shape is not None:
grp.attrs['scatter_shape'] = np.string_(self.scatter_shape)
if self.order is not None:
grp.attrs['order'] = self.order
@ -1890,22 +1855,22 @@ class MGXSLibrary(object):
----------
energy_groups : openmc.mgxs.EnergyGroups
Energy group structure
delayed_groups : int
num_delayed_groups : int
Num delayed groups
Attributes
----------
energy_groups : openmc.mgxs.EnergyGroups
Energy group structure.
delayed_groups : int
num_delayed_groups : int
Num delayed groups
xsdatas : Iterable of openmc.XSdata
Iterable of multi-Group cross section data objects
"""
def __init__(self, energy_groups, delayed_groups=0):
def __init__(self, energy_groups, num_delayed_groups=0):
self.energy_groups = energy_groups
self.delayed_groups = delayed_groups
self.num_delayed_groups = num_delayed_groups
self._xsdatas = []
@property
@ -1913,8 +1878,8 @@ class MGXSLibrary(object):
return self._energy_groups
@property
def delayed_groups(self):
return self._delayed_groups
def num_delayed_groups(self):
return self._num_delayed_groups
@property
def temperatures(self):
@ -1929,10 +1894,14 @@ class MGXSLibrary(object):
check_type('energy groups', energy_groups, openmc.mgxs.EnergyGroups)
self._energy_groups = energy_groups
@delayed_groups.setter
def delayed_groups(self, delayed_groups):
check_type('delayed groups', delayed_groups, int)
self._delayed_groups = delayed_groups
@num_delayed_groups.setter
def num_delayed_groups(self, num_delayed_groups):
check_type('num_delayed_groups', num_delayed_groups, int)
check_greater_than('num_delayed_groups', num_delayed_groups, 0,
equality=True)
check_less_than('num_delayed_groups', num_delayed_groups,
openmc.mgxs.MAX_DELAYED_GROUPS, equality=True)
self._num_delayed_groups = num_delayed_groups
def add_xsdata(self, xsdata):
"""Add an XSdata entry to the file.
@ -1997,12 +1966,12 @@ class MGXSLibrary(object):
"""
check_type('filename', filename, basestring)
check_type('filename', filename, string_types)
# Create and write to the HDF5 file
file = h5py.File(filename, "w")
file.attrs['energy_groups'] = self.energy_groups.num_groups
file.attrs['delayed_groups'] = self.delayed_groups
file.attrs['delayed_groups'] = self.num_delayed_groups
file.attrs['group structure'] = self.energy_groups.group_edges
for xsdata in self._xsdatas:

5
openmc/model/triso.py
View file

@ -10,6 +10,7 @@ from heapq import heappush, heappop
from math import pi, sin, cos, floor, log10, sqrt
from abc import ABCMeta, abstractproperty, abstractmethod
from six import add_metaclass
import numpy as np
try:
import scipy.spatial
@ -95,6 +96,7 @@ class TRISO(openmc.Cell):
k_min:k_max+1, j_min:j_max+1, i_min:i_max+1]))
@add_metaclass(ABCMeta)
class _Domain(object):
"""Container in which to pack particles.
@ -123,9 +125,6 @@ class _Domain(object):
Volume of the container.
"""
__metaclass__ = ABCMeta
def __init__(self, particle_radius, center=[0., 0., 0.]):
self._cell_length = None
self._limits = None

9
openmc/nuclide.py
View file

@ -2,10 +2,9 @@ from numbers import Integral
import sys
import warnings
from openmc.checkvalue import check_type
from six import string_types
if sys.version_info[0] >= 3:
basestring = str
from openmc.checkvalue import check_type
class Nuclide(object):
@ -39,7 +38,7 @@ class Nuclide(object):
return False
else:
return True
elif isinstance(other, basestring) and other == self.name:
elif isinstance(other, string_types) and other == self.name:
return True
else:
return False
@ -73,7 +72,7 @@ class Nuclide(object):
@name.setter
def name(self, name):
check_type('name', name, basestring)
check_type('name', name, string_types)
self._name = name
if '-' in name:

15
openmc/plots.py
View file

@ -4,14 +4,13 @@ from xml.etree import ElementTree as ET
import sys
import warnings
from six import string_types
import numpy as np
import openmc
import openmc.checkvalue as cv
from openmc.clean_xml import clean_xml_indentation
if sys.version_info[0] >= 3:
basestring = str
# A static variable for auto-generated Plot IDs
AUTO_PLOT_ID = 10000
@ -166,7 +165,7 @@ class Plot(object):
@name.setter
def name(self, name):
cv.check_type('plot name', name, basestring)
cv.check_type('plot name', name, string_types)
self._name = name
@width.setter
@ -191,24 +190,24 @@ class Plot(object):
@filename.setter
def filename(self, filename):
cv.check_type('filename', filename, basestring)
cv.check_type('filename', filename, string_types)
self._filename = filename
@color.setter
def color(self, color):
cv.check_type('plot color', color, basestring)
cv.check_type('plot color', color, string_types)
cv.check_value('plot color', color, ['cell', 'mat'])
self._color = color
@type.setter
def type(self, plottype):
cv.check_type('plot type', plottype, basestring)
cv.check_type('plot type', plottype, string_types)
cv.check_value('plot type', plottype, ['slice', 'voxel'])
self._type = plottype
@basis.setter
def basis(self, basis):
cv.check_type('plot basis', basis, basestring)
cv.check_type('plot basis', basis, string_types)
cv.check_value('plot basis', basis, ['xy', 'xz', 'yz'])
self._basis = basis
@ -387,7 +386,7 @@ class Plot(object):
cv.check_less_than('alpha', alpha, 1., equality=True)
# Get a background (R,G,B) tuple to apply in alpha compositing
if isinstance(background, basestring):
if isinstance(background, string_types):
if background == 'white':
background = (255, 255, 255)
elif background == 'black':

5
openmc/region.py
View file

@ -1,11 +1,13 @@
from abc import ABCMeta, abstractmethod
from collections import Iterable
from six import add_metaclass
import numpy as np
from openmc.checkvalue import check_type
@add_metaclass(ABCMeta)
class Region(object):
"""Region of space that can be assigned to a cell.
@ -16,9 +18,6 @@ class Region(object):
created through operators of the Surface and Region classes.
"""
__metaclass__ = ABCMeta
def __and__(self, other):
return Intersection(self, other)

10
openmc/settings.py
View file

@ -4,15 +4,13 @@ import warnings
from xml.etree import ElementTree as ET
import sys
from six import string_types
import numpy as np
from openmc.clean_xml import clean_xml_indentation
import openmc.checkvalue as cv
from openmc import Nuclide, VolumeCalculation, Source
if sys.version_info[0] >= 3:
basestring = str
class Settings(object):
"""Settings used for an OpenMC simulation.
@ -549,7 +547,7 @@ class Settings(object):
@output_path.setter
def output_path(self, output_path):
cv.check_type('output path', output_path, basestring)
cv.check_type('output path', output_path, string_types)
self._output_path = output_path
@verbosity.setter
@ -605,12 +603,12 @@ class Settings(object):
@cross_sections.setter
def cross_sections(self, cross_sections):
cv.check_type('cross sections', cross_sections, basestring)
cv.check_type('cross sections', cross_sections, string_types)
self._cross_sections = cross_sections
@multipole_library.setter
def multipole_library(self, multipole_library):
cv.check_type('cross sections', multipole_library, basestring)
cv.check_type('cross sections', multipole_library, string_types)
self._multipole_library = multipole_library
@ptables.setter

7
openmc/source.py
View file

@ -2,13 +2,12 @@ from numbers import Real
import sys
from xml.etree import ElementTree as ET
from six import string_types
from openmc.stats.univariate import Univariate
from openmc.stats.multivariate import UnitSphere, Spatial
import openmc.checkvalue as cv
if sys.version_info[0] >= 3:
basestring = str
class Source(object):
"""Distribution of phase space coordinates for source sites.
@ -79,7 +78,7 @@ class Source(object):
@file.setter
def file(self, filename):
cv.check_type('source file', filename, basestring)
cv.check_type('source file', filename, string_types)
self._file = filename
@space.setter

3
openmc/statepoint.py
View file

@ -9,9 +9,6 @@ import numpy as np
import openmc
import openmc.checkvalue as cv
if sys.version > '3':
long = int
class StatePoint(object):
"""State information on a simulation at a certain point in time (at the end

12
openmc/stats/multivariate.py
View file

@ -5,15 +5,14 @@ from numbers import Real
import sys
from xml.etree import ElementTree as ET
from six import add_metaclass
import numpy as np
import openmc.checkvalue as cv
from openmc.stats.univariate import Univariate, Uniform
if sys.version_info[0] >= 3:
basestring = str
@add_metaclass(ABCMeta)
class UnitSphere(object):
"""Distribution of points on the unit sphere.
@ -31,9 +30,6 @@ class UnitSphere(object):
Direction from which polar angle is measured
"""
__metaclass__ = ABCMeta
def __init__(self, reference_uvw=None):
self._reference_uvw = None
if reference_uvw is not None:
@ -184,6 +180,7 @@ class Monodirectional(UnitSphere):
return element
@add_metaclass(ABCMeta)
class Spatial(object):
"""Distribution of locations in three-dimensional Euclidean space.
@ -191,9 +188,6 @@ class Spatial(object):
distributions of source sites.
"""
__metaclass__ = ABCMeta
def __init__(self):
pass

7
openmc/stats/univariate.py
View file

@ -4,18 +4,18 @@ from numbers import Real
import sys
from xml.etree import ElementTree as ET
from six import add_metaclass
import numpy as np
import openmc.checkvalue as cv
from openmc.mixin import EqualityMixin
if sys.version_info[0] >= 3:
basestring = str
_INTERPOLATION_SCHEMES = ['histogram', 'linear-linear', 'linear-log',
'log-linear', 'log-log']
@add_metaclass(ABCMeta)
class Univariate(EqualityMixin):
"""Probability distribution of a single random variable.
@ -23,9 +23,6 @@ class Univariate(EqualityMixin):
specific probability distribution.
"""
__metaclass__ = ABCMeta
def __init__(self):
pass

16
openmc/surface.py
View file

@ -4,13 +4,12 @@ from xml.etree import ElementTree as ET
import sys
from math import sqrt
from six import add_metaclass, string_types
import numpy as np
from openmc.checkvalue import check_type, check_value, check_greater_than
from openmc.region import Region, Intersection
if sys.version_info[0] >= 3:
basestring = str
# A static variable for auto-generated Surface IDs
AUTO_SURFACE_ID = 10000
@ -134,14 +133,14 @@ class Surface(object):
@name.setter
def name(self, name):
if name is not None:
check_type('surface name', name, basestring)
check_type('surface name', name, string_types)
self._name = name
else:
self._name = ''
@boundary_type.setter
def boundary_type(self, boundary_type):
check_type('boundary type', boundary_type, basestring)
check_type('boundary type', boundary_type, string_types)
check_value('boundary type', boundary_type, _BC_TYPES)
self._boundary_type = boundary_type
@ -642,6 +641,7 @@ class ZPlane(Plane):
return point[2] - self.z0
@add_metaclass(ABCMeta)
class Cylinder(Surface):
"""A cylinder whose length is parallel to the x-, y-, or z-axis.
@ -677,9 +677,6 @@ class Cylinder(Surface):
Type of the surface
"""
__metaclass__ = ABCMeta
def __init__(self, surface_id=None, boundary_type='transmission',
R=1., name=''):
super(Cylinder, self).__init__(surface_id, boundary_type, name=name)
@ -1210,7 +1207,7 @@ class Sphere(Surface):
z = point[2] - self.z0
return x**2 + y**2 + z**2 - self.r**2
@add_metaclass(ABCMeta)
class Cone(Surface):
"""A conical surface parallel to the x-, y-, or z-axis.
@ -1257,9 +1254,6 @@ class Cone(Surface):
Type of the surface
"""
__metaclass__ = ABCMeta
def __init__(self, surface_id=None, boundary_type='transmission',
x0=0., y0=0., z0=0., R2=1., name=''):
super(Cone, self).__init__(surface_id, boundary_type, name=name)

28
openmc/tallies.py
View file

@ -11,15 +11,13 @@ import sys
import warnings
from xml.etree import ElementTree as ET
from six import string_types
import numpy as np
import openmc
import openmc.checkvalue as cv
from openmc.clean_xml import clean_xml_indentation
if sys.version_info[0] >= 3:
basestring = str
# "Static" variable for auto-generated Tally IDs
AUTO_TALLY_ID = 10000
@ -33,9 +31,9 @@ _PRODUCT_TYPES = ['tensor', 'entrywise']
# The following indicate acceptable types when setting Tally.scores,
# Tally.nuclides, and Tally.filters
_SCORE_CLASSES = (basestring, openmc.CrossScore, openmc.AggregateScore)
_NUCLIDE_CLASSES = (basestring, openmc.Nuclide, openmc.CrossNuclide,
openmc.AggregateNuclide)
_SCORE_CLASSES = string_types + (openmc.CrossScore, openmc.AggregateScore)
_NUCLIDE_CLASSES = string_types + (openmc.Nuclide, openmc.CrossNuclide,
openmc.AggregateNuclide)
_FILTER_CLASSES = (openmc.Filter, openmc.CrossFilter, openmc.AggregateFilter)
# Valid types of estimators
@ -431,7 +429,7 @@ class Tally(object):
@name.setter
def name(self, name):
if name is not None:
cv.check_type('tally name', name, basestring)
cv.check_type('tally name', name, string_types)
self._name = name
else:
self._name = ''
@ -478,7 +476,7 @@ class Tally(object):
raise ValueError(msg)
# If score is a string, strip whitespace
if isinstance(score, basestring):
if isinstance(score, string_types):
scores[i] = score.strip()
self._scores = cv.CheckedList(_SCORE_CLASSES, 'tally scores', scores)
@ -1355,7 +1353,7 @@ class Tally(object):
"""
cv.check_iterable_type('nuclides', nuclides, basestring)
cv.check_iterable_type('nuclides', nuclides, string_types)
# Determine the score indices from any of the requested scores
if nuclides:
@ -1390,7 +1388,7 @@ class Tally(object):
"""
for score in scores:
if not isinstance(score, (basestring, openmc.CrossScore)):
if not isinstance(score, string_types + (openmc.CrossScore,)):
msg = 'Unable to get score indices for score "{0}" in Tally ' \
'ID="{1}" since it is not a string or CrossScore'\
.format(score, self.id)
@ -1585,7 +1583,7 @@ class Tally(object):
column_name = 'score'
for score in self.scores:
if isinstance(score, (basestring, openmc.CrossScore)):
if isinstance(score, string_types + (openmc.CrossScore,)):
scores.append(str(score))
elif isinstance(score, openmc.AggregateScore):
scores.append(score.name)
@ -1700,13 +1698,13 @@ class Tally(object):
msg = 'The Tally ID="{0}" has no data to export'.format(self.id)
raise KeyError(msg)
if not isinstance(filename, basestring):
if not isinstance(filename, string_types):
msg = 'Unable to export the results for Tally ID="{0}" to ' \
'filename="{1}" since it is not a ' \
'string'.format(self.id, filename)
raise ValueError(msg)
elif not isinstance(directory, basestring):
elif not isinstance(directory, string_types):
msg = 'Unable to export the results for Tally ID="{0}" to ' \
'directory="{1}" since it is not a ' \
'string'.format(self.id, directory)
@ -2354,11 +2352,11 @@ class Tally(object):
raise ValueError(msg)
# Check that the scores are valid
if not isinstance(score1, (basestring, openmc.CrossScore)):
if not isinstance(score1, string_types + (openmc.CrossScore,)):
msg = 'Unable to swap score1 "{0}" in Tally ID="{1}" since it is ' \
'not a string or CrossScore'.format(score1, self.id)
raise ValueError(msg)
elif not isinstance(score2, (basestring, openmc.CrossScore)):
elif not isinstance(score2, string_types + (openmc.CrossScore,)):
msg = 'Unable to swap score2 "{0}" in Tally ID="{1}" since it is ' \
'not a string or CrossScore'.format(score2, self.id)
raise ValueError(msg)

7
openmc/trigger.py
View file

@ -4,10 +4,9 @@ import sys
import warnings
from collections import Iterable
import openmc.checkvalue as cv
from six import string_types
if sys.version_info[0] >= 3:
basestring = str
import openmc.checkvalue as cv
class Trigger(object):
@ -77,7 +76,7 @@ class Trigger(object):
@scores.setter
def scores(self, scores):
cv.check_type('trigger scores', scores, Iterable, basestring)
cv.check_type('trigger scores', scores, Iterable, string_types)
# Set scores making sure not to have duplicates
self._scores = []

5
openmc/universe.py
View file

@ -3,13 +3,12 @@ from numbers import Integral
import random
import sys
from six import string_types
import numpy as np
import openmc
import openmc.checkvalue as cv
if sys.version_info[0] >= 3:
basestring = str
# A dictionary for storing IDs of cell elements that have already been written,
# used to optimize the writing process
@ -118,7 +117,7 @@ class Universe(object):
@name.setter
def name(self, name):
if name is not None:
cv.check_type('universe name', name, basestring)
cv.check_type('universe name', name, string_types)
self._name = name
else:
self._name = ''

2
scripts/openmc-ace-to-hdf5
View file

@ -108,7 +108,7 @@ elif args.xsdata is not None:
for line in xsdata:
words = line.split()
if len(words) >= 9:
path = os.path.join(os.path.dirname(args.xsdata, words[8]))
path = os.path.join(os.path.dirname(args.xsdata), words[8])
if path not in ace_libraries:
ace_libraries.append(path)

19
data/convert_mcnp_70.py → scripts/openmc-convert-mcnp70-data
View file

@ -1,7 +1,7 @@
#!/usr/bin/env python
from __future__ import print_function
from argparse import ArgumentParser
import argparse
from collections import defaultdict
import glob
import os
@ -9,8 +9,21 @@ import os
import openmc.data
# Get path to MCNP data
parser = ArgumentParser()
description = """
Convert ENDF/B-VII.0 ACE data from the MCNP5/6 distribution into an HDF5 library
that can be used by OpenMC. This assumes that you have a directory containing
files named endf70a, endf70b, ..., endf70k, and endf70sab.
"""
class CustomFormatter(argparse.ArgumentDefaultsHelpFormatter,
argparse.RawDescriptionHelpFormatter):
pass
parser = argparse.ArgumentParser(
description=description,
formatter_class=CustomFormatter
)
parser.add_argument('-d', '--destination', default='mcnp_endfb70',
help='Directory to create new library in')
parser.add_argument('mcnpdata', help='Directory containing endf70[a-k] and endf70sab')

19
data/convert_mcnp_71.py → scripts/openmc-convert-mcnp71-data
View file

@ -1,7 +1,7 @@
#!/usr/bin/env python
from __future__ import print_function
from argparse import ArgumentParser
import argparse
from collections import defaultdict
import glob
import os
@ -9,8 +9,21 @@ import os
import openmc.data
# Get path to MCNP data
parser = ArgumentParser()
description = """
Convert ENDF/B-VII.1 ACE data from the MCNP6 distribution into an HDF5 library
that can be used by OpenMC. This assumes that you have a directory containing
subdirectories 'endf71x' and 'ENDF71SaB'.
"""
class CustomFormatter(argparse.ArgumentDefaultsHelpFormatter,
argparse.RawDescriptionHelpFormatter):
pass
parser = argparse.ArgumentParser(
description=description,
formatter_class=CustomFormatter
)
parser.add_argument('-d', '--destination', default='mcnp_endfb71',
help='Directory to create new library in')
parser.add_argument('-f', '--fission_energy_release',

28
data/get_jeff_data.py → scripts/openmc-get-jeff-data
View file

@ -10,18 +10,17 @@ import glob
import argparse
from string import digits
from six.moves import input
from six.moves.urllib.request import urlopen
import openmc.data
try:
from urllib.request import urlopen
except ImportError:
from urllib2 import urlopen
if sys.version_info[0] < 3:
askuser = raw_input
else:
askuser = input
description = """
Download JEFF 3.2 ACE data from OECD/NEA and convert it to a multi-temperature
HDF5 library for use with OpenMC.
"""
download_warning = """
WARNING: This script will download approximately 9 GB of data. Extracting and
@ -32,14 +31,21 @@ space. Note that if you don't need all 11 temperatures, you can modify the
Are you sure you want to continue? ([y]/n)
"""
parser = argparse.ArgumentParser()
class CustomFormatter(argparse.ArgumentDefaultsHelpFormatter,
argparse.RawDescriptionHelpFormatter):
pass
parser = argparse.ArgumentParser(
description=description,
formatter_class=CustomFormatter
)
parser.add_argument('-b', '--batch', action='store_true',
help='supresses standard in')
parser.add_argument('-d', '--destination', default='jeff-3.2-hdf5',
help='Directory to create new library in')
args = parser.parse_args()
response = askuser(download_warning) if not args.batch else 'y'
response = input(download_warning) if not args.batch else 'y'
if response.lower().startswith('n'):
sys.exit()
@ -82,7 +88,7 @@ for f in files:
files_complete.append(f)
continue
else:
overwrite = askuser('Overwrite {}? ([y]/n) '.format(f))
overwrite = input('Overwrite {}? ([y]/n) '.format(f))
if overwrite.lower().startswith('n'):
continue

35
data/get_multipole_data.py → scripts/openmc-get-multipole-data
View file

@ -10,18 +10,27 @@ import glob
import hashlib
import argparse
parser = argparse.ArgumentParser()
from six.moves import input
from six.moves.urllib.request import urlopen
description = """
Download and extract windowed multipole data based on ENDF/B-VII.1.
"""
class CustomFormatter(argparse.ArgumentDefaultsHelpFormatter,
argparse.RawDescriptionHelpFormatter):
pass
parser = argparse.ArgumentParser(
description=description,
formatter_class=CustomFormatter
)
parser.add_argument('-b', '--batch', action='store_true',
help='supresses standard in')
args = parser.parse_args()
try:
from urllib.request import urlopen
except ImportError:
from urllib2 import urlopen
cwd = os.getcwd()
sys.path.insert(0, os.path.join(cwd, '..'))
baseUrl = 'https://github.com/smharper/windowed_multipole_library/blob/master/'
files = ['multipole_lib.tar.gz?raw=true']
@ -54,10 +63,7 @@ for f in files:
filesComplete.append(fname)
continue
else:
if sys.version_info[0] < 3:
overwrite = raw_input('Overwrite {0}? ([y]/n) '.format(fname))
else:
overwrite = input('Overwrite {0}? ([y]/n) '.format(fname))
overwrite = input('Overwrite {0}? ([y]/n) '.format(fname))
if overwrite.lower().startswith('n'):
continue
@ -110,10 +116,7 @@ os.rmdir('wmp/multipole_lib')
# Ask user to delete
if not args.batch:
if sys.version_info[0] < 3:
response = raw_input('Delete *.tar.gz files? ([y]/n) ')
else:
response = input('Delete *.tar.gz files? ([y]/n) ')
response = input('Delete *.tar.gz files? ([y]/n) ')
else:
response = 'y'

72
data/get_nndc_data.py → scripts/openmc-get-nndc-data
View file

@ -10,15 +10,31 @@ import glob
import hashlib
import argparse
parser = argparse.ArgumentParser()
from six.moves import input
from six.moves.urllib.request import urlopen
import openmc.data
description = """
Download ENDF/B-VII.1 ACE data from NNDC and convert it to an HDF5 library for
use with OpenMC.
"""
class CustomFormatter(argparse.ArgumentDefaultsHelpFormatter,
argparse.RawDescriptionHelpFormatter):
pass
parser = argparse.ArgumentParser(
description=description,
formatter_class=CustomFormatter
)
parser.add_argument('-b', '--batch', action='store_true',
help='supresses standard in')
args = parser.parse_args()
try:
from urllib.request import urlopen
except ImportError:
from urllib2 import urlopen
baseUrl = 'http://www.nndc.bnl.gov/endf/b7.1/aceFiles/'
files = ['ENDF-B-VII.1-neutron-293.6K.tar.gz',
@ -50,10 +66,7 @@ for f in files:
filesComplete.append(f)
continue
else:
if sys.version_info[0] < 3:
overwrite = raw_input('Overwrite {0}? ([y]/n) '.format(f))
else:
overwrite = input('Overwrite {0}? ([y]/n) '.format(f))
overwrite = input('Overwrite {0}? ([y]/n) '.format(f))
if overwrite.lower().startswith('n'):
continue
@ -65,7 +78,8 @@ for f in files:
if not chunk: break
fh.write(chunk)
downloaded += len(chunk)
status = '{0:10} [{1:3.2f}%]'.format(downloaded, downloaded * 100. / file_size)
status = '{0:10} [{1:3.2f}%]'.format(
downloaded, downloaded * 100. / file_size)
print(status + chr(8)*len(status), end='')
print('')
filesComplete.append(f)
@ -99,7 +113,7 @@ for f in files:
for filename in glob.glob('nndc/293.6K/ENDF-B-VII.1-neutron-293.6K/*'):
shutil.move(filename, 'nndc/293.6K/')
#===============================================================================
# ==============================================================================
# EDIT GRAPHITE ZAID (6012 to 6000)
print('Changing graphite ZAID from 6012 to 6000')
@ -115,10 +129,7 @@ with open(graphite, 'w') as fh:
# Ask user to delete
if not args.batch:
if sys.version_info[0] < 3:
response = raw_input('Delete *.tar.gz files? ([y]/n) ')
else:
response = input('Delete *.tar.gz files? ([y]/n) ')
response = input('Delete *.tar.gz files? ([y]/n) ')
else:
response = 'y'
@ -130,27 +141,16 @@ if not response or response.lower().startswith('y'):
os.remove(f)
# ==============================================================================
# PROMPT USER TO GENERATE HDF5 LIBRARY
# GENERATE HDF5 LIBRARY
# Ask user to convert
if not args.batch:
if sys.version_info[0] < 3:
response = raw_input('Generate HDF5 library? ([y]/n) ')
else:
response = input('Generate HDF5 library? ([y]/n) ')
else:
response = 'y'
# get a list of all ACE files
ace_files = sorted(glob.glob(os.path.join('nndc', '**', '*.ace*')))
# Convert files if requested
if not response or response.lower().startswith('y'):
# get a list of all ACE files
ace_files = sorted(glob.glob(os.path.join('nndc', '**', '*.ace*')))
# Get path to fission energy release data
data_dir = os.path.dirname(sys.modules['openmc.data'].__file__)
fer_file = os.path.join(data_dir, 'fission_Q_data_endfb71.h5')
# Ensure 'import openmc.data' works in the openmc-ace-to-xml script
cwd = os.getcwd()
env = os.environ.copy()
env['PYTHONPATH'] = os.path.join(cwd, '..')
subprocess.call(['../scripts/openmc-ace-to-hdf5', '-d', 'nndc_hdf5',
'--fission_energy_release', 'fission_Q_data_endfb71.h5']
+ ace_files, env=env)
pwd = os.path.dirname(os.path.realpath(__file__))
ace2hdf5 = os.path.join(pwd, 'openmc-ace-to-hdf5')
subprocess.call([ace2hdf5, '-d', 'nndc_hdf5', '--fission_energy_release',
fer_file] + ace_files)

18
scripts/openmc-plot-mesh-tally
View file

@ -5,6 +5,11 @@
import os
import sys
import six.moves.tkinter as tk
import six.moves.tkinter_filedialog as filedialog
import six.moves.tkinter_font as font
import six.moves.tkinter_messagebox as messagebox
import six.moves.tkinter_ttk as ttk
from matplotlib.backends.backend_tkagg import FigureCanvasTkAgg
from matplotlib.backends.backend_tkagg import NavigationToolbar2TkAgg
from matplotlib.figure import Figure
@ -13,19 +18,6 @@ import numpy as np
from openmc.statepoint import StatePoint
if sys.version_info[0] < 3:
import Tkinter as tk
import tkFileDialog as filedialog
import tkFont as font
import tkMessageBox as messagebox
import ttk as ttk
else:
import tkinter as tk
import tkinter.filedialog as filedialog
import tkinter.font as font
import tkinter.messagebox as messagebox
import tkinter.ttk as ttk
class MeshPlotter(tk.Frame):
def __init__(self, parent, filename):

10
scripts/openmc-update-mgxs
View file

@ -85,13 +85,13 @@ if __name__ == '__main__':
temp = np.array(temp.split())
group_structure = temp.astype(np.float)
energy_groups = openmc.mgxs.EnergyGroups(group_structure)
temp = tree.find('inverse_velocities')
temp = tree.find('inverse-velocity')
if temp is not None:
temp = temp.text.strip()
temp = np.array(temp.split())
inverse_velocities = temp.astype(np.float)
inverse_velocity = temp.astype(np.float)
else:
inverse_velocities = None
inverse_velocity = None
xsd = []
names = []
@ -166,8 +166,8 @@ if __name__ == '__main__':
total.shape = xsd[i].vector_shape
xsd[i].set_total(total, temperature)
if inverse_velocities is not None:
xsd[i].set_inverse_velocities(inverse_velocities, temperature)
if inverse_velocity is not None:
xsd[i].set_inverse_velocity(inverse_velocity, temperature)
temp = get_data(xsdata_elem, 'absorption')
temp = np.array(temp.split())

4
setup.py
View file

@ -39,7 +39,7 @@ kwargs = {'name': 'openmc',
if have_setuptools:
kwargs.update({
# Required dependencies
'install_requires': ['numpy>=1.9', 'h5py', 'matplotlib'],
'install_requires': ['six', 'numpy>=1.9', 'h5py', 'matplotlib'],
# Optional dependencies
'extras_require': {
@ -51,7 +51,7 @@ if have_setuptools:
# Data files
'package_data': {
'openmc.data': ['mass.mas12']
'openmc.data': ['mass.mas12', 'fission_Q_data_endfb71.h5']
},
})

2
src/input_xml.F90
View file

@ -4665,8 +4665,6 @@ contains
call read_attribute(num_delayed_groups, file_id, "delayed_groups")
else
num_delayed_groups = 0
call write_message("WARNING: delayed_groups element not provided so &
&number of delayed groups set to 0")
end if
allocate(rev_energy_bins(num_energy_groups + 1))

12
src/tally.F90
View file

@ -1250,10 +1250,10 @@ contains
if (i_nuclide > 0) then
score = score * nucxs % get_xs('inverse-velocity', p_g, UVW=p_uvw) &
/ nucxs % get_xs('total', p_g, UVW=p_uvw) * flux
/ matxs % get_xs('absorption', p_g, UVW=p_uvw) * flux
else
score = score * matxs % get_xs('inverse-velocity', p_g, UVW=p_uvw) &
/ matxs % get_xs('total', p_g, UVW=p_uvw) * flux
/ matxs % get_xs('absorption', p_g, UVW=p_uvw) * flux
end if
else
@ -1587,7 +1587,7 @@ contains
if (i_nuclide > 0) then
score = score * nucxs % get_xs('delayed-nu-fission', &
p_g, UVW=p_uvw, dg=d) / &
nucxs % get_xs('absorption', p_g, UVW=p_uvw)
matxs % get_xs('absorption', p_g, UVW=p_uvw)
else
score = score * matxs % get_xs('delayed-nu-fission', &
p_g, UVW=p_uvw, dg=d) / &
@ -1602,7 +1602,7 @@ contains
score = p % absorb_wgt * flux
if (i_nuclide > 0) then
score = score * nucxs % get_xs('delayed-nu-fission', p_g, &
UVW=p_uvw) / nucxs % get_xs('absorption', p_g, UVW=p_uvw)
UVW=p_uvw) / matxs % get_xs('absorption', p_g, UVW=p_uvw)
else
score = score * matxs % get_xs('delayed-nu-fission', p_g, &
UVW=p_uvw) / matxs % get_xs('absorption', p_g, UVW=p_uvw)
@ -1724,7 +1724,7 @@ contains
score = score * nucxs % get_xs('decay rate', p_g, &
UVW=p_uvw, dg=d) * &
nucxs % get_xs('delayed-nu-fission', p_g, &
UVW=p_uvw, dg=d) / nucxs % get_xs('absorption', &
UVW=p_uvw, dg=d) / matxs % get_xs('absorption', &
p_g, UVW=p_uvw)
else
score = score * matxs % get_xs('decay rate', p_g, &
@ -1751,7 +1751,7 @@ contains
score = score + p % absorb_wgt * &
nucxs % get_xs('decay rate', p_g, UVW=p_uvw, dg=d) * &
nucxs % get_xs('delayed-nu-fission', p_g, UVW=p_uvw, &
dg=d) / nucxs % get_xs('absorption', p_g, UVW=p_uvw)
dg=d) / matxs % get_xs('absorption', p_g, UVW=p_uvw)
else
score = score + p % absorb_wgt * &
matxs % get_xs('decay rate', p_g, UVW=p_uvw, dg=d) * &

5
tests/test_mgxs_library_condense/test_mgxs_library_condense.py
View file

@ -23,9 +23,6 @@ class MGXSTestHarness(PyAPITestHarness):
energy_groups = openmc.mgxs.EnergyGroups(group_edges=[0, 0.625e-6,
20.])
# Initialize a six-delayed-group structure
delayed_groups = list(range(1,7))
# Initialize MGXS Library for a few cross section types
self.mgxs_lib = openmc.mgxs.Library(self._input_set.geometry)
self.mgxs_lib.by_nuclide = False
@ -34,7 +31,7 @@ class MGXSTestHarness(PyAPITestHarness):
self.mgxs_lib.mgxs_types = openmc.mgxs.MGXS_TYPES + \
openmc.mgxs.MDGXS_TYPES
self.mgxs_lib.energy_groups = energy_groups
self.mgxs_lib.delayed_groups = delayed_groups
self.mgxs_lib.num_delayed_groups = 6
self.mgxs_lib.legendre_order = 3
self.mgxs_lib.domain_type = 'material'
self.mgxs_lib.build_library()

5
tests/test_mgxs_library_distribcell/test_mgxs_library_distribcell.py
View file

@ -22,9 +22,6 @@ class MGXSTestHarness(PyAPITestHarness):
# Initialize a one-group structure
energy_groups = openmc.mgxs.EnergyGroups(group_edges=[0, 20.])
# Initialize a six-delayed-group structure
delayed_groups = list(range(1,7))
# Initialize MGXS Library for a few cross section types
# for one material-filled cell in the geometry
self.mgxs_lib = openmc.mgxs.Library(self._input_set.geometry)
@ -34,7 +31,7 @@ class MGXSTestHarness(PyAPITestHarness):
self.mgxs_lib.mgxs_types = openmc.mgxs.MGXS_TYPES + \
openmc.mgxs.MDGXS_TYPES
self.mgxs_lib.energy_groups = energy_groups
self.mgxs_lib.delayed_groups = delayed_groups
self.mgxs_lib.num_delayed_groups = 6
self.mgxs_lib.legendre_order = 3
self.mgxs_lib.domain_type = 'distribcell'
cells = self.mgxs_lib.openmc_geometry.get_all_material_cells()

5
tests/test_mgxs_library_hdf5/test_mgxs_library_hdf5.py
View file

@ -24,9 +24,6 @@ class MGXSTestHarness(PyAPITestHarness):
energy_groups = openmc.mgxs.EnergyGroups(group_edges=[0, 0.625e-6,
20.])
# Initialize a six-delayed-group structure
delayed_groups = list(range(1,7))
# Initialize MGXS Library for a few cross section types
self.mgxs_lib = openmc.mgxs.Library(self._input_set.geometry)
self.mgxs_lib.by_nuclide = False
@ -35,7 +32,7 @@ class MGXSTestHarness(PyAPITestHarness):
self.mgxs_lib.mgxs_types = openmc.mgxs.MGXS_TYPES + \
openmc.mgxs.MDGXS_TYPES
self.mgxs_lib.energy_groups = energy_groups
self.mgxs_lib.delayed_groups = delayed_groups
self.mgxs_lib.num_delayed_groups = 6
self.mgxs_lib.legendre_order = 3
self.mgxs_lib.domain_type = 'material'
self.mgxs_lib.build_library()

5
tests/test_mgxs_library_mesh/test_mgxs_library_mesh.py
View file

@ -18,9 +18,6 @@ class MGXSTestHarness(PyAPITestHarness):
# Initialize a one-group structure
energy_groups = openmc.mgxs.EnergyGroups(group_edges=[0, 20.])
# Initialize a six-delayed-group structure
delayed_groups = list(range(1,7))
# Initialize MGXS Library for a few cross section types
# for one material-filled cell in the geometry
self.mgxs_lib = openmc.mgxs.Library(self._input_set.geometry)
@ -30,7 +27,7 @@ class MGXSTestHarness(PyAPITestHarness):
self.mgxs_lib.mgxs_types = openmc.mgxs.MGXS_TYPES + \
openmc.mgxs.MDGXS_TYPES
self.mgxs_lib.energy_groups = energy_groups
self.mgxs_lib.delayed_groups = delayed_groups
self.mgxs_lib.num_delayed_groups = 6
self.mgxs_lib.legendre_order = 3
self.mgxs_lib.domain_type = 'mesh'

5
tests/test_mgxs_library_no_nuclides/test_mgxs_library_no_nuclides.py
View file

@ -23,9 +23,6 @@ class MGXSTestHarness(PyAPITestHarness):
energy_groups = openmc.mgxs.EnergyGroups(group_edges=[0, 0.625e-6,
20.])
# Initialize a six-delayed-group structure
delayed_groups = list(range(1,7))
# Initialize MGXS Library for a few cross section types
self.mgxs_lib = openmc.mgxs.Library(self._input_set.geometry)
self.mgxs_lib.by_nuclide = False
@ -34,7 +31,7 @@ class MGXSTestHarness(PyAPITestHarness):
self.mgxs_lib.mgxs_types = openmc.mgxs.MGXS_TYPES + \
openmc.mgxs.MDGXS_TYPES
self.mgxs_lib.energy_groups = energy_groups
self.mgxs_lib.delayed_groups = delayed_groups
self.mgxs_lib.num_delayed_groups = 6
self.mgxs_lib.legendre_order = 3
self.mgxs_lib.domain_type = 'material'
self.mgxs_lib.build_library()