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Preserve user material names in convert_to_multigroup and avoid overwriting material with same name bug fix (#3984)
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This commit is contained in:
Jonathan Shimwell
GitHub
parent
4d6244d93c
commit
d06fdee93a
16 changed files with 111 additions and 75 deletions
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@ -2772,12 +2772,15 @@ class Model:
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self.settings.run_mode = original_run_mode
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break
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# Make sure all materials have a name, and that the name is a valid HDF5
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# dataset name
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# Temporarily replace each material's name with a unique, valid HDF5
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# dataset name (its name plus ID) for use as its MGXS library entry
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# and macroscopic. The ID keeps the name unique even when materials
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# share a name; the original names are restored at the end.
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original_names = [material.name for material in self.materials]
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for material in self.materials:
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if not material.name or not material.name.strip():
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material.name = f"material {material.id}"
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material.name = re.sub(r'[^a-zA-Z0-9]', '_', material.name)
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base = material.name if material.name and material.name.strip() \
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else "material"
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material.name = re.sub(r'[^a-zA-Z0-9]', '_', base) + f"_{material.id}"
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# If needed, generate the needed MGXS data library file
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if not Path(mgxs_path).is_file() or overwrite_mgxs_library:
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@ -2809,6 +2812,10 @@ class Model:
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self.settings.energy_mode = 'multi-group'
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# Restore the user's original material names.
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for material, name in zip(self.materials, original_names):
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material.name = name
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def convert_to_random_ray(self):
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"""Convert a multigroup model to use random ray.
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@ -2,17 +2,17 @@
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<model>
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<materials>
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<cross_sections>mgxs.h5</cross_sections>
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<material id="1" name="UO2__2_4__" depletable="true">
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<material id="1" name="UO2 (2.4%)" depletable="true">
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<density value="1.0" units="macro"/>
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<macroscopic name="UO2__2_4__"/>
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<macroscopic name="UO2__2_4___1"/>
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</material>
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<material id="2" name="Zircaloy">
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<density value="1.0" units="macro"/>
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<macroscopic name="Zircaloy"/>
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<macroscopic name="Zircaloy_2"/>
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</material>
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<material id="3" name="Hot_borated_water">
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<material id="3" name="Hot borated water">
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<density value="1.0" units="macro"/>
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<macroscopic name="Hot_borated_water"/>
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<macroscopic name="Hot_borated_water_3"/>
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</material>
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</materials>
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<geometry>
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@ -2,17 +2,17 @@
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<model>
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<materials>
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<cross_sections>mgxs.h5</cross_sections>
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<material id="1" name="UO2__2_4__" depletable="true">
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<material id="1" name="UO2 (2.4%)" depletable="true">
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<density value="1.0" units="macro"/>
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<macroscopic name="UO2__2_4__"/>
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<macroscopic name="UO2__2_4___1"/>
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</material>
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<material id="2" name="Zircaloy">
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<density value="1.0" units="macro"/>
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<macroscopic name="Zircaloy"/>
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<macroscopic name="Zircaloy_2"/>
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</material>
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<material id="3" name="Hot_borated_water">
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<material id="3" name="Hot borated water">
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<density value="1.0" units="macro"/>
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<macroscopic name="Hot_borated_water"/>
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<macroscopic name="Hot_borated_water_3"/>
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</material>
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</materials>
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<geometry>
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@ -2,17 +2,17 @@
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<model>
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<materials>
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<cross_sections>mgxs.h5</cross_sections>
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<material id="1" name="UO2__2_4__" depletable="true">
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<material id="1" name="UO2 (2.4%)" depletable="true">
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<density value="1.0" units="macro"/>
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<macroscopic name="UO2__2_4__"/>
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<macroscopic name="UO2__2_4___1"/>
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</material>
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<material id="2" name="Zircaloy">
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<density value="1.0" units="macro"/>
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<macroscopic name="Zircaloy"/>
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<macroscopic name="Zircaloy_2"/>
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</material>
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<material id="3" name="Hot_borated_water">
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<material id="3" name="Hot borated water">
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<density value="1.0" units="macro"/>
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<macroscopic name="Hot_borated_water"/>
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<macroscopic name="Hot_borated_water_3"/>
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</material>
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</materials>
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<geometry>
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@ -2,17 +2,17 @@
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<model>
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<materials>
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<cross_sections>mgxs.h5</cross_sections>
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<material id="1" name="UO2__2_4__" depletable="true">
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<material id="1" name="UO2 (2.4%)" depletable="true">
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<density value="1.0" units="macro"/>
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<macroscopic name="UO2__2_4__"/>
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<macroscopic name="UO2__2_4___1"/>
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</material>
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<material id="2" name="Zircaloy">
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<density value="1.0" units="macro"/>
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<macroscopic name="Zircaloy"/>
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<macroscopic name="Zircaloy_2"/>
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</material>
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<material id="3" name="Hot_borated_water">
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<material id="3" name="Hot borated water">
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<density value="1.0" units="macro"/>
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<macroscopic name="Hot_borated_water"/>
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<macroscopic name="Hot_borated_water_3"/>
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</material>
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</materials>
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<geometry>
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@ -2,17 +2,17 @@
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<model>
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<materials>
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<cross_sections>mgxs.h5</cross_sections>
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<material id="1" name="UO2__2_4__" depletable="true">
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<material id="1" name="UO2 (2.4%)" depletable="true">
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<density value="1.0" units="macro"/>
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<macroscopic name="UO2__2_4__"/>
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<macroscopic name="UO2__2_4___1"/>
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</material>
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<material id="2" name="Zircaloy">
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<density value="1.0" units="macro"/>
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<macroscopic name="Zircaloy"/>
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<macroscopic name="Zircaloy_2"/>
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</material>
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<material id="3" name="Hot_borated_water">
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<material id="3" name="Hot borated water">
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<density value="1.0" units="macro"/>
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<macroscopic name="Hot_borated_water"/>
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<macroscopic name="Hot_borated_water_3"/>
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</material>
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</materials>
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<geometry>
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@ -2,17 +2,17 @@
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<model>
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<materials>
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<cross_sections>mgxs.h5</cross_sections>
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<material id="1" name="UO2__2_4__" depletable="true">
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<material id="1" name="UO2 (2.4%)" depletable="true">
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<density value="1.0" units="macro"/>
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<macroscopic name="UO2__2_4__"/>
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<macroscopic name="UO2__2_4___1"/>
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</material>
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<material id="2" name="Zircaloy">
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<density value="1.0" units="macro"/>
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<macroscopic name="Zircaloy"/>
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<macroscopic name="Zircaloy_2"/>
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</material>
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<material id="3" name="Hot_borated_water">
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<material id="3" name="Hot borated water">
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<density value="1.0" units="macro"/>
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<macroscopic name="Hot_borated_water"/>
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<macroscopic name="Hot_borated_water_3"/>
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</material>
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</materials>
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<geometry>
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@ -2,17 +2,17 @@
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<model>
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<materials>
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<cross_sections>mgxs.h5</cross_sections>
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<material id="1" name="UO2__2_4__" depletable="true">
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<material id="1" name="UO2 (2.4%)" depletable="true">
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<density value="1.0" units="macro"/>
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<macroscopic name="UO2__2_4__"/>
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<macroscopic name="UO2__2_4___1"/>
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</material>
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<material id="2" name="Zircaloy">
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<density value="1.0" units="macro"/>
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<macroscopic name="Zircaloy"/>
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<macroscopic name="Zircaloy_2"/>
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</material>
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<material id="3" name="Hot_borated_water">
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<material id="3" name="Hot borated water">
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<density value="1.0" units="macro"/>
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<macroscopic name="Hot_borated_water"/>
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<macroscopic name="Hot_borated_water_3"/>
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</material>
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</materials>
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<geometry>
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@ -2,17 +2,17 @@
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<model>
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<materials>
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<cross_sections>mgxs.h5</cross_sections>
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<material id="1" name="UO2__2_4__" depletable="true">
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<material id="1" name="UO2 (2.4%)" depletable="true">
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<density value="1.0" units="macro"/>
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<macroscopic name="UO2__2_4__"/>
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<macroscopic name="UO2__2_4___1"/>
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</material>
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<material id="2" name="Zircaloy">
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<density value="1.0" units="macro"/>
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<macroscopic name="Zircaloy"/>
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<macroscopic name="Zircaloy_2"/>
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</material>
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<material id="3" name="Hot_borated_water">
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<material id="3" name="Hot borated water">
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<density value="1.0" units="macro"/>
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<macroscopic name="Hot_borated_water"/>
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<macroscopic name="Hot_borated_water_3"/>
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</material>
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</materials>
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<geometry>
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@ -2,17 +2,17 @@
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<model>
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<materials>
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<cross_sections>mgxs.h5</cross_sections>
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<material id="1" name="UO2__2_4__" depletable="true">
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<material id="1" name="UO2 (2.4%)" depletable="true">
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<density value="1.0" units="macro"/>
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<macroscopic name="UO2__2_4__"/>
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<macroscopic name="UO2__2_4___1"/>
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</material>
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<material id="2" name="Zircaloy">
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<density value="1.0" units="macro"/>
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<macroscopic name="Zircaloy"/>
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<macroscopic name="Zircaloy_2"/>
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</material>
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<material id="3" name="Hot_borated_water">
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<material id="3" name="Hot borated water">
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<density value="1.0" units="macro"/>
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<macroscopic name="Hot_borated_water"/>
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<macroscopic name="Hot_borated_water_3"/>
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</material>
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</materials>
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<geometry>
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@ -2,17 +2,17 @@
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<model>
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<materials>
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<cross_sections>mgxs.h5</cross_sections>
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<material id="1" name="UO2__2_4__" depletable="true">
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<material id="1" name="UO2 (2.4%)" depletable="true">
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<density value="1.0" units="macro"/>
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<macroscopic name="UO2__2_4__"/>
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<macroscopic name="UO2__2_4___1"/>
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</material>
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<material id="2" name="Zircaloy">
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<density value="1.0" units="macro"/>
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<macroscopic name="Zircaloy"/>
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<macroscopic name="Zircaloy_2"/>
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</material>
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<material id="3" name="Hot_borated_water">
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<material id="3" name="Hot borated water">
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<density value="1.0" units="macro"/>
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<macroscopic name="Hot_borated_water"/>
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<macroscopic name="Hot_borated_water_3"/>
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</material>
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</materials>
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<geometry>
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@ -2,17 +2,17 @@
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<model>
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<materials>
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<cross_sections>mgxs.h5</cross_sections>
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<material id="1" name="UO2__2_4__" depletable="true" temperature="294.0">
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<material id="1" name="UO2 (2.4%)" depletable="true" temperature="294.0">
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<density value="1.0" units="macro"/>
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<macroscopic name="UO2__2_4__"/>
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<macroscopic name="UO2__2_4___1"/>
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</material>
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<material id="2" name="Zircaloy" temperature="294.0">
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<density value="1.0" units="macro"/>
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<macroscopic name="Zircaloy"/>
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<macroscopic name="Zircaloy_2"/>
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</material>
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<material id="3" name="Hot_borated_water" temperature="294.0">
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<material id="3" name="Hot borated water" temperature="294.0">
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<density value="1.0" units="macro"/>
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<macroscopic name="Hot_borated_water"/>
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<macroscopic name="Hot_borated_water_3"/>
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</material>
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</materials>
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<geometry>
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@ -2,17 +2,17 @@
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<model>
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<materials>
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<cross_sections>mgxs.h5</cross_sections>
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<material id="1" name="UO2__2_4__" depletable="true" temperature="294.0">
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<material id="1" name="UO2 (2.4%)" depletable="true" temperature="294.0">
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<density value="1.0" units="macro"/>
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<macroscopic name="UO2__2_4__"/>
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<macroscopic name="UO2__2_4___1"/>
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</material>
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<material id="2" name="Zircaloy" temperature="294.0">
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<density value="1.0" units="macro"/>
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<macroscopic name="Zircaloy"/>
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<macroscopic name="Zircaloy_2"/>
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</material>
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<material id="3" name="Hot_borated_water" temperature="294.0">
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<material id="3" name="Hot borated water" temperature="294.0">
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<density value="1.0" units="macro"/>
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<macroscopic name="Hot_borated_water"/>
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<macroscopic name="Hot_borated_water_3"/>
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</material>
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</materials>
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<geometry>
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@ -2,17 +2,17 @@
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<model>
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<materials>
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<cross_sections>mgxs.h5</cross_sections>
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<material id="1" name="UO2__2_4__" depletable="true" temperature="294.0">
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<material id="1" name="UO2 (2.4%)" depletable="true" temperature="294.0">
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<density value="1.0" units="macro"/>
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<macroscopic name="UO2__2_4__"/>
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<macroscopic name="UO2__2_4___1"/>
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</material>
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<material id="2" name="Zircaloy" temperature="294.0">
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<density value="1.0" units="macro"/>
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<macroscopic name="Zircaloy"/>
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<macroscopic name="Zircaloy_2"/>
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</material>
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<material id="3" name="Hot_borated_water" temperature="294.0">
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<material id="3" name="Hot borated water" temperature="294.0">
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<density value="1.0" units="macro"/>
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<macroscopic name="Hot_borated_water"/>
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<macroscopic name="Hot_borated_water_3"/>
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</material>
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</materials>
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<geometry>
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@ -2,17 +2,17 @@
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<model>
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<materials>
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<cross_sections>mgxs.h5</cross_sections>
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||||
<material id="1" name="UO2__2_4__" depletable="true">
|
||||
<material id="1" name="UO2 (2.4%)" depletable="true">
|
||||
<density value="1.0" units="macro"/>
|
||||
<macroscopic name="UO2__2_4__"/>
|
||||
<macroscopic name="UO2__2_4___1"/>
|
||||
</material>
|
||||
<material id="2" name="Zircaloy">
|
||||
<density value="1.0" units="macro"/>
|
||||
<macroscopic name="Zircaloy"/>
|
||||
<macroscopic name="Zircaloy_2"/>
|
||||
</material>
|
||||
<material id="3" name="Hot_borated_water">
|
||||
<material id="3" name="Hot borated water">
|
||||
<density value="1.0" units="macro"/>
|
||||
<macroscopic name="Hot_borated_water"/>
|
||||
<macroscopic name="Hot_borated_water_3"/>
|
||||
</material>
|
||||
</materials>
|
||||
<geometry>
|
||||
|
|
|
|||
|
|
@ -1038,3 +1038,32 @@ def test_id_map_to_rgb():
|
|||
)
|
||||
# Check that overlap region is green
|
||||
assert np.allclose(rgb_overlap[5:, 5:], [0.0, 1.0, 0.0])
|
||||
|
||||
|
||||
def test_convert_to_multigroup_preserves_material_names(run_in_tmpdir):
|
||||
"""convert_to_multigroup leaves the user's material names unchanged and keys
|
||||
the MGXS library by a unique sanitised name + id, so distinct materials that
|
||||
share a name do not collapse to a single cross section."""
|
||||
a = openmc.Material(name="Steel Plate #1")
|
||||
a.add_element("Fe", 1.0)
|
||||
a.set_density("g/cm3", 7.9)
|
||||
b = openmc.Material(name="Steel Plate #1") # same name, distinct material
|
||||
b.add_element("Fe", 1.0)
|
||||
b.set_density("g/cm3", 7.9)
|
||||
|
||||
s1 = openmc.Sphere(r=1.0)
|
||||
s2 = openmc.Sphere(r=2.0, boundary_type="vacuum")
|
||||
c1 = openmc.Cell(fill=a, region=-s1)
|
||||
c2 = openmc.Cell(fill=b, region=+s1 & -s2)
|
||||
model = openmc.Model(openmc.Geometry([c1, c2]), openmc.Materials([a, b]))
|
||||
|
||||
# Pre-create the library so MGXS generation (and transport) is skipped.
|
||||
Path("mgxs.h5").touch()
|
||||
model.convert_to_multigroup(method="material_wise", mgxs_path="mgxs.h5")
|
||||
|
||||
# User names are preserved, not sanitised or de-duplicated.
|
||||
assert [m.name for m in model.materials] == ["Steel Plate #1", "Steel Plate #1"]
|
||||
# Each material reads a unique, sanitised library entry (name + id).
|
||||
macro = [m._macroscopic for m in model.materials]
|
||||
assert macro == [f"Steel_Plate__1_{a.id}", f"Steel_Plate__1_{b.id}"]
|
||||
assert len(set(macro)) == 2
|
||||
|
|
|
|||
Loading…
Add table
Add a link
Reference in a new issue