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Merge pull request #2291 from pshriwise/model-xml
Support for a single `model.xml` file
This commit is contained in:
Paul Romano
GitHub
commit
3f8f8f6701
32 changed files with 1284 additions and 372 deletions
0
tests/regression_tests/model_xml/__init__.py
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0
tests/regression_tests/model_xml/__init__.py
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@ -0,0 +1,38 @@
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<?xml version='1.0' encoding='utf-8'?>
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<model>
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<materials>
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<material depletable="true" id="1">
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<density units="g/cc" value="10.0" />
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<nuclide ao="1.0" name="U235" />
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</material>
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<material id="2">
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<density units="g/cc" value="0.1" />
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<nuclide ao="0.1" name="H1" />
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</material>
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</materials>
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<geometry>
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<cell id="1" material="1" region="-1" universe="1" />
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<cell id="2" material="2" region="1" universe="1" />
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<cell fill="1" id="3" region="2 -3 4 -5 6 -8" rotation="10 20 30" universe="2" />
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<cell fill="1" id="4" region="2 -3 4 -5 8 -7" translation="0 0 15" universe="2" />
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<surface coeffs="1.0 0.0 0.0 5.0" id="1" type="sphere" />
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<surface boundary="vacuum" coeffs="-7.5" id="2" name="minimum x" type="x-plane" />
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<surface boundary="vacuum" coeffs="7.5" id="3" name="maximum x" type="x-plane" />
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<surface boundary="vacuum" coeffs="-7.5" id="4" name="minimum y" type="y-plane" />
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<surface boundary="vacuum" coeffs="7.5" id="5" name="maximum y" type="y-plane" />
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<surface boundary="vacuum" coeffs="-7.5" id="6" type="z-plane" />
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<surface boundary="vacuum" coeffs="22.5" id="7" type="z-plane" />
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<surface coeffs="7.5" id="8" type="z-plane" />
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</geometry>
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<settings>
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<run_mode>eigenvalue</run_mode>
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<particles>10000</particles>
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<batches>10</batches>
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<inactive>5</inactive>
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<source strength="1.0">
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<space type="box">
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<parameters>-4.0 -4.0 -4.0 4.0 4.0 4.0</parameters>
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</space>
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</source>
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</settings>
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</model>
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23
tests/regression_tests/model_xml/energy_laws_inputs_true.dat
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23
tests/regression_tests/model_xml/energy_laws_inputs_true.dat
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@ -0,0 +1,23 @@
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<?xml version='1.0' encoding='utf-8'?>
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<model>
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<materials>
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<material depletable="true" id="1">
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<density units="g/cm3" value="20.0" />
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<nuclide ao="1.0" name="U233" />
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<nuclide ao="1.0" name="Am244" />
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<nuclide ao="1.0" name="H2" />
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<nuclide ao="1.0" name="Na23" />
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<nuclide ao="1.0" name="Ta181" />
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</material>
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</materials>
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<geometry>
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<cell id="1" material="1" region="-1" universe="1" />
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<surface boundary="reflective" coeffs="0.0 0.0 0.0 100.0" id="1" type="sphere" />
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</geometry>
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<settings>
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<run_mode>eigenvalue</run_mode>
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<particles>1000</particles>
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<batches>10</batches>
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<inactive>5</inactive>
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</settings>
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</model>
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67
tests/regression_tests/model_xml/inputs_true.dat
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67
tests/regression_tests/model_xml/inputs_true.dat
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@ -0,0 +1,67 @@
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<?xml version='1.0' encoding='utf-8'?>
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<model>
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<materials>
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<material id="6">
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<density units="g/cm3" value="2.6989" />
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<nuclide ao="1.0" name="Al27" />
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</material>
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</materials>
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<geometry>
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<cell id="12" material="void" region="-16 17 -18" universe="10" />
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<cell id="13" material="6" region="-16 18 -19" universe="10" />
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<cell id="14" material="void" region="~(-16 17 -19)" universe="10" />
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<surface id="16" type="x-cylinder" boundary="vacuum" coeffs="0.0 0.0 1.0" />
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<surface id="17" type="x-plane" boundary="vacuum" coeffs="-1.0" />
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<surface id="18" type="x-plane" coeffs="1.0" />
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<surface id="19" type="x-plane" boundary="vacuum" coeffs="1000000000.0" />
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</geometry>
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<settings>
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<run_mode>fixed source</run_mode>
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<particles>10000</particles>
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<batches>1</batches>
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<source strength="1.0">
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<space type="point">
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<parameters>0 0 0</parameters>
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</space>
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<angle type="monodirectional" reference_uvw="1.0 0.0 0.0" />
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<energy type="discrete">
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<parameters>14000000.0 1.0</parameters>
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</energy>
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</source>
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<electron_treatment>ttb</electron_treatment>
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<photon_transport>true</photon_transport>
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<cutoff>
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<energy_photon>1000.0</energy_photon>
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</cutoff>
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</settings>
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<tallies>
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<filter id="1" type="surface">
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<bins>16</bins>
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</filter>
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<filter id="2" type="particle">
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<bins>neutron photon electron positron</bins>
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</filter>
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<tally id="1">
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<filters>1 2</filters>
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<scores>current</scores>
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</tally>
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<tally id="2">
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<filters>2</filters>
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<nuclides>Al27 total</nuclides>
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<scores>total (n,gamma)</scores>
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<estimator>tracklength</estimator>
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</tally>
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<tally id="3">
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<filters>2</filters>
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<nuclides>Al27 total</nuclides>
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<scores>total heating (n,gamma)</scores>
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<estimator>collision</estimator>
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</tally>
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<tally id="4">
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<filters>2</filters>
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<nuclides>Al27 total</nuclides>
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<scores>total heating (n,gamma)</scores>
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<estimator>analog</estimator>
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</tally>
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</tallies>
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</model>
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@ -0,0 +1,53 @@
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<?xml version='1.0' encoding='utf-8'?>
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<model>
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<materials>
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<material depletable="true" id="1" name="UO2">
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<density units="g/cm3" value="10.0" />
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<nuclide ao="1.0" name="U235" />
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<nuclide ao="2.0" name="O16" />
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</material>
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<material id="2" name="light water">
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<density units="g/cm3" value="1.0" />
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<nuclide ao="2.0" name="H1" />
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<nuclide ao="1.0" name="O16" />
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<sab name="c_H_in_H2O" />
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</material>
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</materials>
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<geometry>
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<cell id="1" material="1" region="-1" universe="1" />
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<cell id="2" material="2" region="1" universe="1" />
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<cell id="3" material="1" region="-2" universe="2" />
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<cell id="4" material="2" region="2" universe="2" />
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<cell fill="3" id="5" universe="4" />
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<cell fill="5" id="6" region="3 -4 5 -6" universe="6" />
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<lattice id="3">
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<pitch>1.2 1.2</pitch>
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<outer>1</outer>
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<dimension>2 2</dimension>
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<lower_left>-1.2 -1.2</lower_left>
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<universes>
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2 1
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1 1 </universes>
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</lattice>
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<lattice id="5">
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<pitch>2.4 2.4</pitch>
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<dimension>2 2</dimension>
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<lower_left>-2.4 -2.4</lower_left>
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<universes>
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4 4
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4 4 </universes>
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</lattice>
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<surface coeffs="0.0 0.0 0.4" id="1" type="z-cylinder" />
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<surface coeffs="0.0 0.0 0.5" id="2" type="z-cylinder" />
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<surface boundary="reflective" coeffs="-2.4" id="3" name="minimum x" type="x-plane" />
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<surface boundary="reflective" coeffs="2.4" id="4" name="maximum x" type="x-plane" />
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<surface boundary="reflective" coeffs="-2.4" id="5" name="minimum y" type="y-plane" />
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<surface boundary="reflective" coeffs="2.4" id="6" name="maximum y" type="y-plane" />
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</geometry>
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<settings>
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<run_mode>eigenvalue</run_mode>
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<particles>1000</particles>
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<batches>10</batches>
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<inactive>5</inactive>
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</settings>
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</model>
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@ -0,0 +1,67 @@
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<?xml version='1.0' encoding='utf-8'?>
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<model>
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<materials>
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<material id="1">
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<density units="g/cm3" value="2.6989" />
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<nuclide ao="1.0" name="Al27" />
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</material>
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</materials>
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<geometry>
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<cell id="1" material="void" region="-1 2 -3" universe="1" />
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<cell id="2" material="1" region="-1 3 -4" universe="1" />
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<cell id="3" material="void" region="~(-1 2 -4)" universe="1" />
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<surface boundary="vacuum" coeffs="0.0 0.0 1.0" id="1" type="x-cylinder" />
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<surface boundary="vacuum" coeffs="-1.0" id="2" type="x-plane" />
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<surface coeffs="1.0" id="3" type="x-plane" />
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<surface boundary="vacuum" coeffs="1000000000.0" id="4" type="x-plane" />
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</geometry>
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<settings>
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<run_mode>fixed source</run_mode>
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<particles>10000</particles>
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<batches>1</batches>
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<source strength="1.0">
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<space type="point">
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<parameters>0 0 0</parameters>
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</space>
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<angle reference_uvw="1.0 0.0 0.0" type="monodirectional" />
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<energy type="discrete">
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<parameters>14000000.0 1.0</parameters>
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</energy>
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</source>
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<electron_treatment>ttb</electron_treatment>
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<photon_transport>true</photon_transport>
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<cutoff>
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<energy_photon>1000.0</energy_photon>
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</cutoff>
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</settings>
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<tallies>
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<filter id="1" type="surface">
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<bins>1</bins>
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</filter>
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<filter id="2" type="particle">
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<bins>neutron photon electron positron</bins>
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</filter>
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<tally id="1">
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<filters>1 2</filters>
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<scores>current</scores>
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</tally>
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<tally id="2">
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<filters>2</filters>
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<nuclides>Al27 total</nuclides>
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<scores>total (n,gamma)</scores>
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<estimator>tracklength</estimator>
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</tally>
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<tally id="3">
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<filters>2</filters>
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<nuclides>Al27 total</nuclides>
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<scores>total heating (n,gamma)</scores>
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<estimator>collision</estimator>
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</tally>
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<tally id="4">
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<filters>2</filters>
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<nuclides>Al27 total</nuclides>
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<scores>total heating (n,gamma)</scores>
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<estimator>analog</estimator>
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</tally>
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</tallies>
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</model>
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100
tests/regression_tests/model_xml/test.py
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100
tests/regression_tests/model_xml/test.py
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@ -0,0 +1,100 @@
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from difflib import unified_diff
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import glob
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import filecmp
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import os
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from pathlib import Path
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import openmc
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import pytest
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from tests.testing_harness import PyAPITestHarness, colorize
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# use a few models from other tests to make sure the same results are
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# produced when using a single model.xml file as input
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from ..adj_cell_rotation.test import model as adj_cell_rotation_model
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from ..lattice_multiple.test import model as lattice_multiple_model
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from ..energy_laws.test import model as energy_laws_model
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from ..photon_production.test import model as photon_production_model
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class ModelXMLTestHarness(PyAPITestHarness):
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"""Accept a results file to check against and assume inputs_true is the contents of a model.xml file.
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"""
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def __init__(self, model=None, inputs_true=None, results_true=None):
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statepoint_name = f'statepoint.{model.settings.batches}.h5'
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super().__init__(statepoint_name, model, inputs_true)
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self.results_true = 'results_true.dat' if results_true is None else results_true
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def _build_inputs(self):
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self._model.export_to_model_xml()
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def _get_inputs(self):
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return open('model.xml').read()
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def _compare_results(self):
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"""Make sure the current results agree with the reference."""
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compare = filecmp.cmp('results_test.dat', self.results_true)
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if not compare:
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expected = open(self.results_true).readlines()
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actual = open('results_test.dat').readlines()
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diff = unified_diff(expected, actual, self.results_true,
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'results_test.dat')
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print('Result differences:')
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print(''.join(colorize(diff)))
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os.rename('results_test.dat', 'results_error.dat')
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assert compare, 'Results do not agree'
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def _cleanup(self):
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super()._cleanup()
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if os.path.exists('model.xml'):
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os.remove('model.xml')
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test_names = [
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'adj_cell_rotation',
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'lattice_multiple',
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'energy_laws',
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'photon_production'
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]
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@pytest.mark.parametrize("test_name", test_names, ids=lambda test: test)
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def test_model_xml(test_name, request):
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openmc.reset_auto_ids()
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test_path = '../' + test_name
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results = test_path + "/results_true.dat"
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inputs = test_name + "_inputs_true.dat"
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model_name = test_name + "_model"
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harness = ModelXMLTestHarness(request.getfixturevalue(model_name), inputs, results)
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harness.main()
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def test_input_arg(run_in_tmpdir):
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pincell = openmc.examples.pwr_pin_cell()
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pincell.settings.particles = 100
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# export to separate XML files and run
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pincell.export_to_xml()
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openmc.run()
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# make sure the executable isn't falling back on the separate XMLs
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for f in glob.glob('*.xml'):
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os.remove(f)
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# now export to a single XML file with a custom name
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pincell.export_to_model_xml('pincell.xml')
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assert Path('pincell.xml').exists()
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# run by specifying that single file
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openmc.run(path_input='pincell.xml')
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# check that this works for plotting too
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openmc.plot_geometry(path_input='pincell.xml')
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# now ensure we get an error for an incorrect filename,
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# even in the presence of other, valid XML files
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pincell.export_to_model_xml()
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with pytest.raises(RuntimeError, match='ex-em-ell.xml'):
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openmc.run(path_input='ex-em-ell.xml')
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@ -1,5 +1,6 @@
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from math import pi
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from pathlib import Path
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import os
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import numpy as np
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import pytest
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@ -529,3 +530,40 @@ def test_calc_volumes(run_in_tmpdir, pin_model_attributes, mpi_intracomm):
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assert openmc.lib.materials[3].volume == mats[2].volume
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test_model.finalize_lib()
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def test_model_xml(run_in_tmpdir):
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# load a model from examples
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pwr_model = openmc.examples.pwr_core()
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# export to separate XMLs manually
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pwr_model.settings.export_to_xml('settings_ref.xml')
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pwr_model.materials.export_to_xml('materials_ref.xml')
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pwr_model.geometry.export_to_xml('geometry_ref.xml')
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# now write and read a model.xml file
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pwr_model.export_to_model_xml()
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new_model = openmc.Model.from_model_xml()
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# make sure we can also export this again to separate
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# XML files
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new_model.export_to_xml()
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def test_single_xml_exec(run_in_tmpdir):
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pincell_model = openmc.examples.pwr_pin_cell()
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pincell_model.export_to_model_xml('pwr_pincell.xml')
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openmc.run(path_input='pwr_pincell.xml')
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with pytest.raises(RuntimeError, match='ex-em-ell.xml'):
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openmc.run(path_input='ex-em-ell.xml')
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# test that a file in a different directory can be used
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os.mkdir('inputs')
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pincell_model.export_to_model_xml('./inputs/pincell.xml')
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openmc.run(path_input='./inputs/pincell.xml')
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with pytest.raises(RuntimeError, match='input_dir'):
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openmc.run(path_input='input_dir/pincell.xml')
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