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Prepare for version 0.13.1
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7
docs/source/pythonapi/stats.rst
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@ -51,3 +51,10 @@ Spatial Distributions
openmc.stats.SphericalIndependent
openmc.stats.Box
openmc.stats.Point
.. autosummary::
:toctree: generated
:nosignatures:
:template: myfunction.rst
openmc.stats.spherical_uniform

182
docs/source/releasenotes/0.13.1.rst Normal file
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@ -0,0 +1,182 @@
====================
What's New in 0.13.1
====================
.. currentmodule:: openmc
-------
Summary
-------
This release of OpenMC includes many bug fixes as well as improvements in
geometry modeling, mesh functionality, source specification, depletion
capabilities, and other general enhancements. The depletion module features a
new transport operator, :class:`openmc.deplete.IndependentOperator`, that allows
a depletion calculation to be performed using arbitrary one-group cross sections
(e.g., generated by an external solver) along with a
:class:`openmc.deplete.MicroXS` class for managing one-group cross sections. The
track file generation capability has been significantly overhauled and a new
:class:`openmc.Tracks` class was introduced to allow access to information in
track files from the Python API. Support has been added for new ENDF thermal
scattering evaluations that use mixed coherent/incoherent elastic scattering.
------------------------------------
Compatibility Notes and Deprecations
------------------------------------
- The ``openmc.deplete.Operator`` class has been renamed
:class:`openmc.deplete.CoupledOperator`.
- The ``openmc.deplete.ResultsList`` class has been renamed to
:class:`openmc.deplete.Results` and no longer requires you to call the
``from_hdf5()`` method in order to create it; instead, you can directly
instantiate it.
- A few methods that represent k-effective have been renamed for the sake of
consistency:
- ``openmc.StatePoint.k_combined`` is now :attr:`openmc.StatePoint.keff`
- ``openmc.deplete.ResultsList.get_eigenvalue`` is now
:meth:`openmc.deplete.Results.get_keff`
- The :class:`openmc.stats.SphericalIndependent` class, which used to
accept a distribution for ``theta`` now accepts a distribution for ``cos_theta``
instead in order to more easily handle the common case of specifying a uniform
spatial distribution over a sphere (also see the new
:func:`openmc.stats.spherical_uniform` function).
- If you are building OpenMC from source, note that several of our CMake options
have been changed:
========== ======================
Old option New option
========== ======================
debug ---
optimize ---
profile OPENMC_ENABLE_PROFILE
coverage OPENMC_ENABLE_COVERAGE
openmp OPENMC_USE_OPENMP
--- OPENMC_USE_MPI
dagmc OPENMC_USE_DAGMC
libmesh OPENMC_USE_LIBMESH
========== ======================
The ``debug`` and ``optimize`` options have been removed; instead, use the
standard `CMAKE_BUILD_TYPE
<https://cmake.org/cmake/help/latest/variable/CMAKE_BUILD_TYPE.html>`_
variable.
------------
New Features
------------
- Two new composite surfaces: :class:`openmc.model.IsogonalOctagon` and
:class:`openmc.model.CylinderSector`.
- The :class:`~openmc.DAGMCUniverse` class now has a
:attr:`~openmc.DAGMCUniverse.bounding_box` attribute and a
:meth:`~openmc.DAGMCUniverse.bounding_region` method.
- When translating a :class:`~openmc.Region` using the
:meth:`~openmc.Region.translate` method, there is now an ``inplace`` argument.
- The :class:`~openmc.Material` class has several new methods and attributes:
- The :meth:`~openmc.Material.add_components` methods allows you to add
multiple nuclides/elements to a material with a single call by passing a
dictionary.
- The :meth:`~openmc.Material.get_activity` method returns the activity of a
material in Bq, Bq/g, or Bq/cm³.
- The :meth:`~openmc.Material.remove_element` method removes an element from a
material
- The :meth:`~openmc.Material.get_nuclide_atoms` method gives the number of
atoms of each nuclide in a material
- All mesh classes now have a ``volumes`` property that provides the volume of
each mesh element as well as ``write_data_to_vtk`` methods.
- Support for externally managed MOAB meshes or libMesh meshes.
- Multiple discrete distributions can be merged with the new
:meth:`~openmc.stats.Discrete.merge` method.
- The :func:`openmc.stats.spherical_uniform` function creates a uniform
distribution over a sphere using the
:class:`~openmc.stats.SphericalIndependent` class.
- Univariate distributions in the :mod:`openmc.stats` module now have
``sample()`` methods.
- An ``openmc_sample_external_source`` function has been added to the C API with
a corresponding Python binding :func:`openmc.lib.sample_external_source`.
- The track file generation capability has been completely overhauled. Track
files now include much more information, and a new :class:`~openmc.Tracks`
class allows access to track file information from the Python API and has a
:meth:`~openmc.Tracks.write_to_vtk` method for writing a VTK file. Multiple
tracks are now written to a single file (one per MPI rank).
- A new :func:`openmc.wwinp_to_wws` function that converts weight windows from a
``wwinp`` file to a list of :class:`~openmc.WeightWindows` objects.
- The new :meth:`openmc.EnergyFilter.from_group_structure` method provides a
way of creating an energy filter with a group structure identified by name.
- The :class:`openmc.data.Decay` class now has a
:attr:`~openmc.data.Decay.sources` property that provides radioactive decay
source distributions.
- A :class:`openmc.mgxs.ReducedAbsorptionXS` class produces a multigroup cross
section representing "reduced" absorption (absorption less neutron production
from (n,xn) reactions).
- Added support in the Python API and HDF5 nuclear data format for new ENDF
thermal neutron scattering evaluations with mixed coherent elastic and
incoherent elastic.
- CMake now relies on ``find_package(MPI)`` for a more standard means of
identifying an MPI compiler configuration.
---------
Bug Fixes
---------
- `Fix bug when a rotation matrix is passed to Halfspace.rotate <https://github.com/openmc-dev/openmc/pull/1974>`_
- `Fix bug for spherical mesh string repr <https://github.com/openmc-dev/openmc/pull/1983>`_
- `Fix package_data specification to include pyx files <https://github.com/openmc-dev/openmc/pull/1989>`_
- `Allow meshes with same ID to appear in multiple files <https://github.com/openmc-dev/openmc/pull/1990>`_
- `Fix overwritten variable in get_libraries_from_xsdata <https://github.com/openmc-dev/openmc/pull/1994>`_
- `Write output files to correct directory <https://github.com/openmc-dev/openmc/pull/1998>`_
- `Allow CMake to properly find third-party packages <https://github.com/openmc-dev/openmc/pull/2006>`_
- `Fix Region.from_expression when ")(" appears in specification <https://github.com/openmc-dev/openmc/pull/2012>`_
- `Move lost particle reset from finalize() to reset() <https://github.com/openmc-dev/openmc/pull/2015>`_
- `Minor typo fixes in test_lattice.py <https://github.com/openmc-dev/openmc/pull/2024>`_
- `Fix color assignment in Universe.plot <https://github.com/openmc-dev/openmc/pull/2034>`_
- `Several depletion-related fixes <https://github.com/openmc-dev/openmc/pull/2037>`_
- `Allow control of C++ standard used by compiler <https://github.com/openmc-dev/openmc/pull/2040/files>`_
- `Fix IO format documentation for surface source read/write <https://github.com/openmc-dev/openmc/pull/2048>`_
- `Make sure basis gets set in Plot.from_geometry <https://github.com/openmc-dev/openmc/pull/2050>`_
- `Improve robustness of torus distance calculation <https://github.com/openmc-dev/openmc/pull/2053>`_
- `Allow use of redundant fission when adjusting KERMA in from_njoy <https://github.com/openmc-dev/openmc/pull/2055>`_
- `Disable GNU extensions for CMake target <https://github.com/openmc-dev/openmc/pull/2072>`_
- `Two from_xml fixes <https://github.com/openmc-dev/openmc/pull/2074>`_
- `Fix for rare infinite loop when finding cell <https://github.com/openmc-dev/openmc/pull/2075>`_
- `Allow photon heating to be tallied by nuclide <https://github.com/openmc-dev/openmc/pull/2076>`_
- `Use UTF-8 encoding when reading dose coefficients <https://github.com/openmc-dev/openmc/pull/2078>`_
- `Fix a corner case in Region.from_expression <https://github.com/openmc-dev/openmc/pull/2081>`_
- `Fix bug in spherical and cylindrical meshes <https://github.com/openmc-dev/openmc/pull/2108>`_
- `Ensure weight window bounds are flattened when writing to XML <https://github.com/openmc-dev/openmc/pull/2113>`_
- `Fix for std::cout sync bug in output.cpp <https://github.com/openmc-dev/openmc/pull/2122>`_
- `Allow compiling against fmt v9 <https://github.com/openmc-dev/openmc/pull/2136>`_
- `Fix TimeFilter for small time intervals <https://github.com/openmc-dev/openmc/pull/2168>`_
------------
Contributors
------------
- `David Andrs <https://github.com/andrsd>`_
- `Hunter Belanger <https://github.com/HunterBelanger>`_
- `Helen Brooks <https://github.com/helen-brooks>`_
- `Rémi Delaporte-Mathurin <https://github.com/RemDelaporteMathurin>`_
- `Joffrey Dorville <https://github.com/JoffreyDorville>`_
- `Christopher Fichtlscherer <https://github.com/cfichtlscherer>`_
- `Lewis Gross <https://github.com/lewisgross1296>`_
- `Andrew Johnson <https://github.com/drewejohnson>`_
- `Kalin Kiesling <https://github.com/kkiesling>`_
- `Amanda Lund <https://github.com/amandalund>`_
- `Richard Morrison <https://github.com/richmorrison>`_
- `Patrick Myers <https://github.com/myerspat>`_
- `Adam Nelson <https://github.com/nelsonag>`_
- `April Novak <https://github.com/aprilnovak>`_
- `Ethan Peterson <https://github.com/eepeterson>`_
- `Gavin Ridley <https://github.com/gridley>`_
- `Paul Romano <https://github.com/paulromano>`_
- `Jonathan Shimwell <https://github.com/Shimwell>`_
- `Patrick Shriwise <https://github.com/pshriwise>`_
- `Amelia Trainer <https://github.com/ameliojo>`_
- `John Tramm <https://github.com/jtramm>`_
- `Bob Urberger <https://github.com/burberger>`_
- `Olek Yardas <https://github.com/yardasol>`_

1
docs/source/releasenotes/index.rst
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@ -7,6 +7,7 @@ Release Notes
.. toctree::
:maxdepth: 1
0.13.1
0.13.0
0.12.2
0.12.1

38
docs/source/usersguide/depletion.rst
View file

@ -14,7 +14,7 @@ are requested.
The depletion module is designed such that the reaction rate solution (the
transport "operator") is completely isolated from the solution of the
transmutation equations and the method used for advancing time.
transmutation equations and the method used for advancing time.
:mod:`openmc.deplete` supports multiple time-integration methods for determining
material compositions over time. Each method appears as a different class.
@ -40,7 +40,7 @@ time::
Note that the coupling between the reaction rate solver and the transmutation
solver happens in-memory rather than by reading/writing files on disk. OpenMC
has two categories of transport operators for obtaining transmutation reaction
rates.
rates.
.. _coupled-depletion:
@ -65,7 +65,7 @@ Any material that contains a fissionable nuclide is depleted by default, but
this can behavior can be changed with the :attr:`Material.depletable` attribute.
.. important::
The volume must be specified for each material that is depleted by setting
the :attr:`Material.volume` attribute. This is necessary in order to
calculate the proper normalization of tally results based on the source rate.
@ -198,8 +198,8 @@ Transport-independent depletion
===============================
.. warning::
This feature is still under heavy development and has yet to be rigorously
This feature is still under heavy development and has yet to be rigorously
verified. API changes and feature additions are possible and likely in
the near future.
@ -237,7 +237,7 @@ object::
'U236': 4.57e18,
'O16': 4.64e22,
'O17': 1.76e19}
volume = 0.5
volume = 0.5
op = openmc.deplete.IndependentOperator.from_nuclides(volume,
nuclides,
micro_xs,
@ -250,8 +250,8 @@ transport-depletion calculation and follow the same steps from there.
.. note::
Ideally, one-group cross section data should be available for every
reaction in the depletion chain. If a nuclide that has a reaction
associated with it in the depletion chain is present in the `nuclides`
reaction in the depletion chain. If a nuclide that has a reaction
associated with it in the depletion chain is present in the `nuclides`
parameter but not the cross section data, that reaction will not be
simulated.
@ -289,7 +289,7 @@ or from data arrays::
.. important::
Both :meth:`~openmc.deplete.MicroXS.from_csv()` and
:meth:`~openmc.deplete.MicroXS.from_array()` assume the cross section values
:meth:`~openmc.deplete.MicroXS.from_array()` assume the cross section values
provided are in barns by defualt, but have no way of verifying this. Make
sure your cross sections are in the correct units before passing to a
:class:`~openmc.deplete.IndependentOperator` object.
@ -315,26 +315,28 @@ normalizing reaction rates:
the cross-sections by the ``source-rate``.
2. ``fission-q`` normalization, which uses the ``power`` or ``power_density``
provided by the time integrator to obtain reaction rates by computing a value
for the flux based on this power. The general equation for the flux is
for the flux based on this power. The general equation for the flux is
.. math::
\phi = \frac{P}{V \cdot \sum_i (Q_i \cdot \sigma^f_i \cdot \n_i)}
\phi = \frac{P}{\sum\limits_i (Q_i \sigma^f_i N_i)}
where :math:`\sum_i` is the sum over all nuclides :math:`i`. This equation
makes the same assumptions and issues as discussed in
:ref:`energy-deposition`. Unfortunately, the proposed solution in that
where :math:`P` is the power, :math:`Q_i` is the fission Q value for nuclide
:math:`i`, :math:`\sigma_i^f` is the microscopic fission cross section for
nuclide :math:`i`, and :math:`N_i` is the number of atoms of nuclide
:math:`i`. This equation makes the same assumptions and issues as discussed
in :ref:`energy-deposition`. Unfortunately, the proposed solution in that
section does not apply here since we are decoupled from transport code.
However, there is a method to converge to a more accurate value for flux by
using substeps during time integration.
`This paper <https://doi.org/10.1016/j.anucene.2016.05.031>`_ provides a
good discussion of this method.
using substeps during time integration. `This paper
<https://doi.org/10.1016/j.anucene.2016.05.031>`_ provides a good discussion
of this method.
.. warning::
The accuracy of results when using ``fission-q`` is entirely dependent on
your depletion chain. Make sure it has sufficient data to resolve the
dynamics of your particular scenario.
dynamics of your particular scenario.
Multiple Materials
~~~~~~~~~~~~~~~~~~

2
examples/pincell_depletion/restart_depletion.py
View file

@ -43,7 +43,7 @@ model = openmc.Model(geometry=geometry, settings=settings)
# Create depletion "operator"
chain_file = 'chain_simple.xml'
op = openmc.deplete.Operator(model, chain_file, previous_results)
op = openmc.deplete.CoupledOperator(model, chain_file, previous_results)
# Perform simulation using the predictor algorithm
time_steps = [1.0, 1.0, 1.0, 1.0, 1.0] # days

2
examples/pincell_depletion/run_depletion.py
View file

@ -88,7 +88,7 @@ model = openmc.Model(geometry=geometry, settings=settings)
# Create depletion "operator"
chain_file = 'chain_simple.xml'
op = openmc.deplete.Operator(model, chain_file)
op = openmc.deplete.CoupledOperator(model, chain_file)
# Perform simulation using the predictor algorithm
time_steps = [1.0, 1.0, 1.0, 1.0, 1.0] # days

5
openmc/data/kalbach_mann.py
View file

@ -178,6 +178,8 @@ def kalbach_slope(energy_projectile, energy_emitted, za_projectile,
energies are not calculated with the AWR number, but approximated with
the number of mass instead.
.. versionadded:: 0.13.1
Parameters
----------
energy_projectile : float
@ -593,6 +595,9 @@ class KalbachMann(AngleEnergy):
If the projectile is a neutron, the slope is calculated when it is
not given explicitly.
.. versionchanged:: 0.13.1
Arguments changed to accommodate slope calculation
Parameters
----------
file_obj : file-like object

6
openmc/deplete/coupled_operator.py
View file

@ -56,6 +56,7 @@ def _find_cross_sections(model):
)
return cross_sections
def _get_nuclides_with_data(cross_sections):
"""Loads cross_sections.xml file to find nuclides with neutron data
@ -81,6 +82,7 @@ def _get_nuclides_with_data(cross_sections):
return nuclides
class CoupledOperator(OpenMCOperator):
"""Transport-coupled transport operator.
@ -93,6 +95,9 @@ class CoupledOperator(OpenMCOperator):
The geometry and settings parameters have been replaced with a
model parameter that takes a :class:`~openmc.model.Model` object
.. versionchanged:: 0.13.1
Name changed from ``Operator`` to ``CoupledOperator``
Parameters
----------
model : openmc.model.Model
@ -534,6 +539,7 @@ class CoupledOperator(OpenMCOperator):
if self.cleanup_when_done:
openmc.lib.finalize()
# Retain deprecated name for the time being
def Operator(*args, **kwargs):
# warn of name change

20
openmc/deplete/independent_operator.py
View file

@ -6,8 +6,6 @@ transport solver by using user-provided one-group cross sections.
"""
import copy
from collections import OrderedDict
from warnings import warn
from itertools import product
import numpy as np
@ -22,6 +20,7 @@ from .microxs import MicroXS
from .results import Results
from .helpers import ChainFissionHelper, ConstantFissionYieldHelper, SourceRateHelper
class IndependentOperator(OpenMCOperator):
"""Transport-independent transport operator that uses one-group cross
sections to calculate reaction rates.
@ -32,6 +31,8 @@ class IndependentOperator(OpenMCOperator):
passed to an integrator class, such as
:class:`openmc.deplete.CECMIntegrator`.
.. versionadded:: 0.13.1
Parameters
----------
materials : openmc.Materials
@ -271,15 +272,15 @@ class IndependentOperator(OpenMCOperator):
This class does not generate tallies, and instead stores cross sections
for each nuclide and transmutation reaction relevant for a depletion
calculation. The reaction rate is calculated by multiplying the flux by the
cross sections.
calculation. The reaction rate is calculated by multiplying the flux by
the cross sections.
Parameters
----------
op : openmc.deplete.IndependentOperator
Reference to the object encapsulate _IndependentRateHelper.
We pass this so we don't have to duplicate the :attr:`IndependentOperator.number` object.
We pass this so we don't have to duplicate the
:attr:`IndependentOperator.number` object.
Attributes
----------
@ -316,15 +317,14 @@ class IndependentOperator(OpenMCOperator):
"""
self._results_cache.fill(0.0)
volume = self._op.number.get_mat_volume(mat_id)
for i_nuc, i_react in product(nuc_index, react_index):
nuc = self.nuc_ind_map[i_nuc]
rxn = self.rxn_ind_map[i_react]
density = self._op.number.get_atom_density(mat_id, nuc)
# Sigma^j_i * V = sigma^j_i * rho * V
# Sigma^j_i * V = sigma^j_i * n_i * V = sigma^j_i * N_i
self._results_cache[i_nuc,i_react] = \
self._op.cross_sections[rxn][nuc] * density * volume
self._op.cross_sections[rxn][nuc] * \
self._op.number[mat_id, nuc]
return self._results_cache

8
openmc/deplete/microxs.py
View file

@ -25,8 +25,10 @@ _valid_rxns.append('fission')
class MicroXS(DataFrame):
"""Stores microscopic cross section data for use in
transport-independent depletion.
"""Microscopic cross section data for use in transport-independent depletion.
.. versionadded:: 0.13.1
"""
@classmethod
@ -59,7 +61,7 @@ class MicroXS(DataFrame):
energy_bound : 2-tuple of float, optional
Bounds for the energy group.
run_kwargs : dict, optional
Keyword arguments for :meth:`openmc.model.Model.run()`
Keyword arguments passed to :meth:`openmc.model.Model.run`
Returns
-------

3
openmc/deplete/results.py
View file

@ -46,6 +46,9 @@ class Results(list):
each depletion step and provides extra methods for interrogating these
results.
.. versionchanged:: 0.13.1
Name changed from ``ResultsList`` to ``Results``
Parameters
----------
filename : str

3
openmc/deplete/stepresult.py
View file

@ -23,6 +23,9 @@ __all__ = ["StepResult"]
class StepResult:
"""Result of a single depletion timestep
.. versionchanged:: 0.13.1
Name changed from ``Results`` to ``StepResult``
Attributes
----------
k : list of (float, float)

2
openmc/filter.py
View file

@ -1340,6 +1340,8 @@ class EnergyFilter(RealFilter):
def from_group_structure(cls, group_structure):
"""Construct an EnergyFilter instance from a standard group structure.
.. versionadded:: 0.13.1
Parameters
----------
group_structure : str

4
openmc/material.py
View file

@ -463,6 +463,8 @@ class Material(IDManagerMixin):
def remove_element(self, element):
"""Remove an element from the material
.. versionadded:: 0.13.1
Parameters
----------
element : str
@ -918,7 +920,7 @@ class Material(IDManagerMixin):
Returns
-------
Union[dict, float]
If by_nuclide is True then a dictionary whose keys are nuclide
If by_nuclide is True then a dictionary whose keys are nuclide
names and values are activity is returned. Otherwise the activity
of the material is returned as a float.
"""

2
openmc/mgxs/mgxs.py
View file

@ -3107,6 +3107,8 @@ class ReducedAbsorptionXS(MGXS):
3\sigma_{n,4n}(r,E) \right) \psi (r, E, \Omega)}{\int_{r \in V} dr
\int_{4\pi} d\Omega \int_{E_g}^{E_{g-1}} dE \; \psi (r, E, \Omega)}.
.. versionadded:: 0.13.1
"""
def __init__(self, domain=None, domain_type=None, energy_groups=None,

6
openmc/model/model.py
View file

@ -331,7 +331,7 @@ class Model:
Indicate whether or not a transport solve should be run at the end
of the last timestep. Defaults to running this transport solve.
operator_kwargs : dict
Keyword arguments passed to the depletion Operator initializer
Keyword arguments passed to the depletion operator initializer
(e.g., :func:`openmc.deplete.Operator`)
directory : str, optional
Directory to write XML files to. If it doesn't exist already, it
@ -360,8 +360,8 @@ class Model:
with _change_directory(Path(directory)):
with openmc.lib.quiet_dll(output):
depletion_operator = \
dep.Operator(self, **op_kwargs)
# TODO: Support use of IndependentOperator too
depletion_operator = dep.CoupledOperator(self, **op_kwargs)
# Tell depletion_operator.finalize NOT to clear C API memory when
# it is done

4
openmc/model/surface_composite.py
View file

@ -64,6 +64,8 @@ class CylinderSector(CompositeSurface):
operators applied to it will produce a half-space. The negative
side is defined to be the region inside of the cylinder sector.
.. versionadded:: 0.13.1
Parameters
----------
r1 : float
@ -225,6 +227,8 @@ class IsogonalOctagon(CompositeSurface):
operators applied to it will produce a half-space. The negative side is
defined to be the region inside of the octogonal prism.
.. versionadded:: 0.13.1
Parameters
----------
center : iterable of float

2
openmc/region.py
View file

@ -269,6 +269,8 @@ class Region(ABC):
inplace : bool
Whether or not to return a region based on new surfaces or one based
on the original surfaces that have been modified.
.. versionadded:: 0.13.1
memo : dict or None
Dictionary used for memoization. This parameter is used internally
and should not be specified by the user.

7
openmc/stats/multivariate.py
View file

@ -377,7 +377,10 @@ class SphericalIndependent(Spatial):
:math:`\theta`, and :math:`\phi` components are sampled independently
from one another and centered on the coordinates (x0, y0, z0).
.. versionadded: 0.12
.. versionadded:: 0.12
.. versionchanged:: 0.13.1
Accepts ``cos_theta`` instead of ``theta``
Parameters
----------
@ -787,7 +790,7 @@ def spherical_uniform(r_outer, r_inner=0.0, thetas=(0., pi), phis=(0., 2*pi),
shell between `r_inner` and `r_outer`. Optionally, the range of angles
can be restricted by the `thetas` and `phis` arguments.
.. versionadded: 0.13.1
.. versionadded:: 0.13.1
Parameters
----------

4
openmc/stats/univariate.py
View file

@ -205,6 +205,8 @@ class Discrete(Univariate):
def merge(cls, dists, probs):
"""Merge multiple discrete distributions into a single distribution
.. versionadded:: 0.13.1
Parameters
----------
dists : iterable of openmc.stats.Discrete
@ -1057,7 +1059,7 @@ class Tabular(Univariate):
def integral(self):
"""Return integral of distribution
.. versionadded: 0.13.1
.. versionadded:: 0.13.1
Returns
-------

8
openmc/summary.py
View file

@ -14,6 +14,11 @@ _VERSION_SUMMARY = 6
class Summary:
"""Summary of model used in a simulation.
Parameters
----------
filename : str or path-like
Path to file to load
Attributes
----------
date_and_time : str
@ -33,8 +38,9 @@ class Summary:
"""
def __init__(self, filename):
filename = str(filename)
if not filename.endswith(('.h5', '.hdf5')):
msg = 'Unable to open "{0}" which is not an HDF5 summary file'
msg = f'Unable to open "{filename}" which is not an HDF5 summary file'
raise ValueError(msg)
self._f = h5py.File(filename, 'r')

8
openmc/tracks.py
View file

@ -47,6 +47,8 @@ class Track(Sequence):
primary/secondary particle is stored in the :attr:`particle_tracks`
attribute.
.. versionadded:: 0.13.1
Parameters
----------
dset : h5py.Dataset
@ -201,6 +203,8 @@ class Tracks(list):
This class behaves like a list and can be indexed using the normal subscript
notation. Each element in the list is a :class:`openmc.Track` object.
.. versionadded:: 0.13.1
Parameters
----------
filepath : str or pathlib.Path
@ -267,7 +271,7 @@ class Tracks(list):
track.plot(ax)
return ax
def write_tracks_to_vtk(self, filename=Path('tracks.vtp')):
def write_to_vtk(self, filename=Path('tracks.vtp')):
"""Creates a VTP file of the tracks
Parameters
@ -286,7 +290,7 @@ class Tracks(list):
# Initialize data arrays and offset.
points = vtk.vtkPoints()
cells = vtk.vtkCellArray()
point_offset = 0
for particle in self:
for pt in particle.particle_tracks:

6
openmc/universe.py
View file

@ -644,6 +644,8 @@ class DAGMCUniverse(UniverseBase):
bounding_box : 2-tuple of numpy.array
Lower-left and upper-right coordinates of an axis-aligned bounding box
of the universe.
.. versionadded:: 0.13.1
"""
def __init__(self,
@ -726,6 +728,9 @@ class DAGMCUniverse(UniverseBase):
def bounding_region(self, bounded_type='box', boundary_type='vacuum', starting_id=10000):
"""Creates a either a spherical or box shaped bounding region around
the DAGMC geometry.
.. versionadded:: 0.13.1
Parameters
----------
bounded_type : str
@ -740,6 +745,7 @@ class DAGMCUniverse(UniverseBase):
Starting ID of the surface(s) used in the region. For bounded_type
'box', the next 5 IDs will also be used. Defaults to 10000 to reduce
the chance of an overlap of surface IDs with the DAGMC geometry.
Returns
-------
openmc.Region

4
openmc/weight_windows.py
View file

@ -409,7 +409,9 @@ class WeightWindows(IDManagerMixin):
def wwinp_to_wws(path):
"""Creates WeightWindows classes from a wwinp file
"""Create WeightWindows instances from a wwinp file
.. versionadded:: 0.13.1
Parameters
----------

2
scripts/openmc-track-to-vtk
View file

@ -35,7 +35,7 @@ def main():
# Write coordinate values to points array.
track_file = openmc.Tracks(args.input)
track_file.write_tracks_to_vtk(args.out)
track_file.write_to_vtk(args.out)
if __name__ == '__main__':
main()

2
tests/regression_tests/deplete_with_transport/test.py
View file

@ -53,7 +53,7 @@ def test_full(run_in_tmpdir, problem, multiproc):
# Create operator
chain_file = Path(__file__).parents[2] / 'chain_simple.xml'
op = openmc.deplete.Operator(model, chain_file)
op = openmc.deplete.CoupledOperator(model, chain_file)
op.round_number = True
# Power and timesteps

4
tests/unit_tests/test_deplete_activation.py
View file

@ -64,7 +64,7 @@ def test_activation(run_in_tmpdir, model, reaction_rate_mode, reaction_rate_opts
chain.export_to_xml('test_chain.xml')
# Create transport operator
op = openmc.deplete.Operator(
op = openmc.deplete.CoupledOperator(
model, 'test_chain.xml',
normalization_mode="source-rate",
reaction_rate_mode=reaction_rate_mode,
@ -144,7 +144,7 @@ def test_decay(run_in_tmpdir):
model = openmc.Model(geometry=geometry, settings=settings)
# Create transport operator
op = openmc.deplete.Operator(
op = openmc.deplete.CoupledOperator(
model, 'test_chain.xml', normalization_mode="source-rate"
)

4
tests/unit_tests/test_tracks.py
View file

@ -143,7 +143,7 @@ def test_filter(sphere_model, run_in_tmpdir):
assert matches == []
def test_write_tracks_to_vtk(sphere_model):
def test_write_to_vtk(sphere_model):
vtk = pytest.importorskip('vtk')
# Set maximum number of tracks per process to write
sphere_model.settings.max_tracks = 25
@ -153,7 +153,7 @@ def test_write_tracks_to_vtk(sphere_model):
generate_track_file(sphere_model, tracks=True)
tracks = openmc.Tracks('tracks.h5')
polydata = tracks.write_tracks_to_vtk('tracks.vtp')
polydata = tracks.write_to_vtk('tracks.vtp')
assert isinstance(polydata, vtk.vtkPolyData)
assert Path('tracks.vtp').is_file()