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Add format spec for depletion chain XML file
This commit is contained in:
Paul Romano
parent
c9f8daa0ab
commit
236e7f8b9e
7 changed files with 166 additions and 63 deletions
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@ -1,23 +1,23 @@
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<?xml version="1.0"?>
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<depletion>
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<nuclide_table name="I135" decay_modes="1" reactions="1" half_life="2.36520E+04">
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<decay_type type="beta" target="Xe135" branching_ratio="1.0" />
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<reaction_type type="(n,gamma)" Q="0.0" target="Xe136" /> <!-- Not precisely true, but whatever -->
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</nuclide_table>
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<nuclide_table name="Xe135" decay_modes="1" reactions="1" half_life="3.29040E+04">
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<decay_type type=" beta" target="Cs135" branching_ratio="1.0" />
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<reaction_type type="(n,gamma)" Q="0.0" target="Xe136" />
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</nuclide_table>
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<nuclide_table name="Xe136" decay_modes="0" reactions="0" />
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<nuclide_table name="Cs135" decay_modes="0" reactions="0" />
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<nuclide_table name="Gd157" decay_modes="0" reactions="1" >
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<reaction_type type="(n,gamma)" Q="0.0" target="Nothing" />
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</nuclide_table>
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<nuclide_table name="Gd156" decay_modes="0" reactions="1">
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<reaction_type type="(n,gamma)" Q="0.0" target="Gd157" />
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</nuclide_table>
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<nuclide_table name="U234" decay_modes="0" reactions="1">
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<reaction_type type="fission" Q="191840000."/>
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<depletion_chain>
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<nuclide name="I135" decay_modes="1" reactions="1" half_life="2.36520E+04">
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<decay type="beta" target="Xe135" branching_ratio="1.0" />
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<reaction type="(n,gamma)" Q="0.0" target="Xe136" /> <!-- Not precisely true, but whatever -->
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</nuclide>
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<nuclide name="Xe135" decay_modes="1" reactions="1" half_life="3.29040E+04">
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<decay type=" beta" target="Cs135" branching_ratio="1.0" />
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<reaction type="(n,gamma)" Q="0.0" target="Xe136" />
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</nuclide>
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<nuclide name="Xe136" decay_modes="0" reactions="0" />
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<nuclide name="Cs135" decay_modes="0" reactions="0" />
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<nuclide name="Gd157" decay_modes="0" reactions="1" >
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<reaction type="(n,gamma)" Q="0.0" target="Nothing" />
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</nuclide>
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<nuclide name="Gd156" decay_modes="0" reactions="1">
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<reaction type="(n,gamma)" Q="0.0" target="Gd157" />
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</nuclide>
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<nuclide name="U234" decay_modes="0" reactions="1">
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<reaction type="fission" Q="191840000."/>
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<neutron_fission_yields>
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<energies>2.53000e-02</energies>
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<fission_yields energy="2.53000e-02">
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@ -25,9 +25,9 @@
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<data>1.093250e-04 2.087260e-04 2.780820e-02 6.759540e-03 2.392300e-02 4.356330e-05</data>
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</fission_yields>
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</neutron_fission_yields>
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</nuclide_table>
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<nuclide_table name="U235" decay_modes="0" reactions="1">
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<reaction_type type="fission" Q="193410000."/>
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</nuclide>
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<nuclide name="U235" decay_modes="0" reactions="1">
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<reaction type="fission" Q="193410000."/>
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<neutron_fission_yields>
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<energies>2.53000e-02</energies>
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<fission_yields energy="2.53000e-02">
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@ -35,9 +35,9 @@
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<data>6.142710e-5 1.483250e-04 0.0292737 0.002566345 0.0219242 4.9097e-6</data>
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</fission_yields>
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</neutron_fission_yields>
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</nuclide_table>
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<nuclide_table name="U238" decay_modes="0" reactions="1">
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<reaction_type type="fission" Q="197790000."/>
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</nuclide>
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<nuclide name="U238" decay_modes="0" reactions="1">
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<reaction type="fission" Q="197790000."/>
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<neutron_fission_yields>
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<energies>2.53000e-02</energies>
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<fission_yields energy="2.53000e-02">
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@ -45,5 +45,5 @@
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<data>4.141120e-04 7.605360e-04 0.0135457 0.00026864 0.0024432 3.7100E-07</data>
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</fission_yields>
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</neutron_fission_yields>
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</nuclide_table>
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</depletion>
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</nuclide>
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</depletion_chain>
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@ -1,17 +1,17 @@
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<depletion>
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<nuclide_table name="A" half_life="23652.0" decay_modes="2" decay_energy="0.0" reactions="1">
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<decay_type type="beta1" target="B" branching_ratio="0.6"/>
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<decay_type type="beta2" target="C" branching_ratio="0.4"/>
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<reaction_type type="(n,gamma)" Q="0.0" target="C"/>
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</nuclide_table>
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<nuclide_table name="B" half_life="32904.0" decay_modes="1" decay_energy="0.0" reactions="1">
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<decay_type type="beta" target="A" branching_ratio="1.0"/>
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<reaction_type type="(n,gamma)" Q="0.0" target="C"/>
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</nuclide_table>
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<nuclide_table name="C" reactions="3">
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<reaction_type type="fission" Q="200000000.0"/>
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<reaction_type type="(n,gamma)" Q="0.0" target="A" branching_ratio="0.7"/>
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<reaction_type type="(n,gamma)" Q="0.0" target="B" branching_ratio="0.3"/>
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<depletion_chain>
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<nuclide name="A" half_life="23652.0" decay_modes="2" decay_energy="0.0" reactions="1">
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<decay type="beta1" target="B" branching_ratio="0.6"/>
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<decay type="beta2" target="C" branching_ratio="0.4"/>
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<reaction type="(n,gamma)" Q="0.0" target="C"/>
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</nuclide>
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<nuclide name="B" half_life="32904.0" decay_modes="1" decay_energy="0.0" reactions="1">
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<decay type="beta" target="A" branching_ratio="1.0"/>
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<reaction type="(n,gamma)" Q="0.0" target="C"/>
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</nuclide>
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<nuclide name="C" reactions="3">
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<reaction type="fission" Q="200000000.0"/>
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<reaction type="(n,gamma)" Q="0.0" target="A" branching_ratio="0.7"/>
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<reaction type="(n,gamma)" Q="0.0" target="B" branching_ratio="0.3"/>
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<neutron_fission_yields>
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<energies>0.0253</energies>
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<fission_yields energy="0.0253">
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@ -19,5 +19,5 @@
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<data>0.0292737 0.002566345</data>
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</fission_yields>
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</neutron_fission_yields>
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</nuclide_table>
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</depletion>
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</nuclide>
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</depletion_chain>
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102
docs/source/io_formats/depletion_chain.rst
Normal file
102
docs/source/io_formats/depletion_chain.rst
Normal file
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@ -0,0 +1,102 @@
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.. _io_chain:
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============================
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Depletion Chain -- chain.xml
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============================
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A depletion chain file has a ``<depletion_chain>`` root element with one or more
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``<nuclide>`` child elements. The decay, reaction, and fission product data for
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each nuclide appears as child elements of ``<nuclide>``.
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---------------------
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``<nuclide>`` Element
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---------------------
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The ``<nuclide>`` element contains information on the decay modes, reactions,
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and fission product yields for a given nuclide in the depletion chain. This
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element may have the following attributes:
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:name:
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Name of the nuclide
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:half_life:
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Half-life of the nuclide in [s]
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:decay_modes:
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Number of decay modes present
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:decay_energy:
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Decay energy released in [eV]
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:reactions:
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Number of reactions present
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For each decay mode, a :ref:`io_chain_decay` appears as a child of
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``<nuclide>``. For each reaction present, a :ref:`io_chain_reaction` appears as
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a child of ``<nuclide>``. If the nuclide is fissionable, a :ref:`io_chain_nfy`
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appears as well.
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.. _io_chain_decay:
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-------------------
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``<decay>`` Element
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-------------------
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The ``<decay>`` element represents a single decay mode and has the following
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attributes:
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:type:
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The type of the decay, e.g. 'ec/beta+'
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:target:
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The daughter nuclide produced from the decay
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:branching_ratio:
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The branching ratio for this decay mode
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.. _io_chain_reaction:
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----------------------
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``<reaction>`` Element
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----------------------
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The ``<reaction>`` element represents a single transmutation reaction. This
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element has the following attributes:
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:type:
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The type of the reaction, e.g., '(n,gamma)'
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:Q:
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The Q value of the reaction in [eV]
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:target:
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The nuclide produced in the reaction (absent if the type is 'fission')
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:branching_ratio:
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The branching ratio for the reaction
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.. _io_chain_nfy:
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------------------------------------
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``<neutron_fission_yields>`` Element
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------------------------------------
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The ``<neutron_fission_yields>`` element provides yields of fission products for
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fissionable nuclides. It has the follow sub-elements:
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:energies:
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Energies in [eV] at which yields for products are tabulated
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:fission_yields:
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Fission product yields for a single energy point. This element itself has a
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number of attributes/sub-elements:
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:energy:
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Energy in [eV] at which yields are tabulated
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:products:
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Names of fission products
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:data:
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Independent yields for each fission product
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@ -30,6 +30,7 @@ Data Files
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:maxdepth: 2
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cross_sections
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depletion_chain
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nuclear_data
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mgxs_library
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data_wmp
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@ -327,7 +327,7 @@ class Chain(object):
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# Load XML tree
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root = ET.parse(str(filename))
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for i, nuclide_elem in enumerate(root.findall('nuclide_table')):
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for i, nuclide_elem in enumerate(root.findall('nuclide')):
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nuc = Nuclide.from_xml(nuclide_elem)
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chain.nuclide_dict[nuc.name] = i
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@ -350,7 +350,7 @@ class Chain(object):
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"""
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root_elem = ET.Element('depletion')
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root_elem = ET.Element('depletion_chain')
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for nuclide in self.nuclides:
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root_elem.append(nuclide.to_xml_element())
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@ -23,9 +23,9 @@ class Nuclide(object):
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name : str
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Name of nuclide.
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half_life : float
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Half life of nuclide in s^-1.
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Half life of nuclide in [s].
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decay_energy : float
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Energy deposited from decay in eV.
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Energy deposited from decay in [eV].
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n_decay_modes : int
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Number of decay pathways.
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decay_modes : list of DecayTuple
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@ -94,14 +94,14 @@ class Nuclide(object):
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nuc.decay_energy = float(element.get('decay_energy', '0'))
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# Check for decay paths
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for decay_elem in element.iter('decay_type'):
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for decay_elem in element.iter('decay'):
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d_type = decay_elem.get('type')
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target = decay_elem.get('target')
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branching_ratio = float(decay_elem.get('branching_ratio'))
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nuc.decay_modes.append(DecayTuple(d_type, target, branching_ratio))
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# Check for reaction paths
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for reaction_elem in element.iter('reaction_type'):
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for reaction_elem in element.iter('reaction'):
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r_type = reaction_elem.get('type')
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Q = float(reaction_elem.get('Q', '0'))
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branching_ratio = float(reaction_elem.get('branching_ratio', '1'))
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@ -138,7 +138,7 @@ class Nuclide(object):
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XML element to write nuclide data to
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"""
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elem = ET.Element('nuclide_table')
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elem = ET.Element('nuclide')
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elem.set('name', self.name)
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if self.half_life is not None:
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@ -146,14 +146,14 @@ class Nuclide(object):
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elem.set('decay_modes', str(len(self.decay_modes)))
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elem.set('decay_energy', str(self.decay_energy))
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for mode, daughter, br in self.decay_modes:
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mode_elem = ET.SubElement(elem, 'decay_type')
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mode_elem = ET.SubElement(elem, 'decay')
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mode_elem.set('type', mode)
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mode_elem.set('target', daughter)
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mode_elem.set('branching_ratio', str(br))
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elem.set('reactions', str(len(self.reactions)))
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for rx, daughter, Q, br in self.reactions:
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rx_elem = ET.SubElement(elem, 'reaction_type')
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rx_elem = ET.SubElement(elem, 'reaction')
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rx_elem.set('type', rx)
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rx_elem.set('Q', str(Q))
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if rx != 'fission':
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@ -37,14 +37,14 @@ def test_from_xml():
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"""Test reading nuclide data from an XML element."""
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data = """
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<nuclide_table name="U235" reactions="2">
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<decay_type type="sf" target="U235" branching_ratio="7.2e-11"/>
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<decay_type type="alpha" target="Th231" branching_ratio="0.999999999928"/>
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<reaction_type type="(n,2n)" target="U234" Q="-5297781.0"/>
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<reaction_type type="(n,3n)" target="U233" Q="-12142300.0"/>
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<reaction_type type="(n,4n)" target="U232" Q="-17885600.0"/>
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<reaction_type type="(n,gamma)" target="U236" Q="6545200.0"/>
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<reaction_type type="fission" Q="193405400.0"/>
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<nuclide name="U235" reactions="2">
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<decay type="sf" target="U235" branching_ratio="7.2e-11"/>
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<decay type="alpha" target="Th231" branching_ratio="0.999999999928"/>
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<reaction type="(n,2n)" target="U234" Q="-5297781.0"/>
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<reaction type="(n,3n)" target="U233" Q="-12142300.0"/>
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<reaction type="(n,4n)" target="U232" Q="-17885600.0"/>
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<reaction type="(n,gamma)" target="U236" Q="6545200.0"/>
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<reaction type="fission" Q="193405400.0"/>
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<neutron_fission_yields>
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<energies>0.0253</energies>
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<fission_yields energy="0.0253">
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@ -52,7 +52,7 @@ def test_from_xml():
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<data>0.062155 0.0497641 0.0481413</data>
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</fission_yields>
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</neutron_fission_yields>
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</nuclide_table>
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</nuclide>
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"""
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element = ET.fromstring(data)
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@ -96,7 +96,7 @@ def test_to_xml_element():
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assert element.get("half_life") == "0.123"
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decay_elems = element.findall("decay_type")
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decay_elems = element.findall("decay")
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assert len(decay_elems) == 2
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assert decay_elems[0].get("type") == "beta-"
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assert decay_elems[0].get("target") == "B"
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@ -105,7 +105,7 @@ def test_to_xml_element():
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assert decay_elems[1].get("target") == "D"
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assert decay_elems[1].get("branching_ratio") == "0.01"
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rx_elems = element.findall("reaction_type")
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rx_elems = element.findall("reaction")
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assert len(rx_elems) == 2
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assert rx_elems[0].get("type") == "fission"
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assert float(rx_elems[0].get("Q")) == 2.0e8
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