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Change defualt constructor to accept a Materials object

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The classmethod, from_nuclides, retains the volume-nuclide constructor
This commit is contained in:
yardasol 2022-07-19 12:33:56 -05:00
parent 3817750bff
commit 7e671d4e57
4 changed files with 76 additions and 31 deletions
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24
docs/source/usersguide/depletion.rst
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@ -188,15 +188,22 @@ Transport-independent depletion
possible and likely in the near future.
OpenMC supports running depletion calculations independent of the OpenMC
transport solver using the :class:`FluxDepletionOperator` class. Rather than
taking a :class:`openmc.model.Model` object, this class accepts a volume,
a dictionary of nuclide concentrations, a flux spectra, and one-group
microscopic cross sections as a :class:`pandas.DataFrame`. The class includes
helper functions to construct the dataframe from a csv file or from
data arrays::
transport solver using the :class:`FluxDepletionOperator` class. This class
has two ways to initalize it; the default constructor accepts an
:class:`openmc.Materials` object, a flux spectra, and one-group microscopic
cross sections as a :class:`pandas.Dataframe`, while the `from_nuclides`
method accepts a volume and dictionary of nuclide concentrations in place of
the :class:`openmc.Materials` object in addition to the other parameters.
The class includes helper functions to construct the dataframe from a csv file
or from data arrays::
...
# load in the microscopic cross sections
micro_xs = FluxDepletionOperator.create_micro_xs_from_csv(micro_xs_path)
flux = 1.16e15
op = FluxDepletionOperator(materials, micro_xs, flux, chain_file)
# alternate construtor
nuclides = {'U234': 8.92e18,
'U235': 9.98e20,
'U238': 2.22e22,
@ -204,10 +211,7 @@ data arrays::
'O16': 4.64e22,
'O17': 1.76e19}
volume = 0.5
flux = 1.16e15
op = FluxDepletionOperator(volume, nuclides, micro_xs, flux. chain_file)
op = FluxDepletionOperator.from_nuclide_dict(volume, nuclides, micro_xs, flux, chain_file)
A user can then define an integrator class as they would for a coupled
transport-depletion calculation and follow the same steps from there.