Stafie Alex PSI
166 lines
4.3 KiB
Python
166 lines
4.3 KiB
Python
import os
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import glob
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import shutil
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from pathlib import Path
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import openmc
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# --- inputs ---
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LIB_ROOT = Path("/home/stafie_c/my_afs/openmc/lib_mine")
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LIB_DIRS = [
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"endfb71_official", # ENDF/B-VII.1
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"endfb80_official", # ENDF/B-VIII.0
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"endfb81_official", # ENDF/B-VIII.1
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"jeff32_other", # JEFF3.2
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"jeff33_official", # JEFF3.3
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"jeff40/300", # JEFF4
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"jendl4", # JENDL4
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"jendl5", # JENDL5
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]
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LIB_TAGS = {
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"endfb71_official": "e71",
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"endfb80_official": "e80",
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"endfb81_official": "e81",
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"jeff32_other": "j32",
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"jeff33_official": "j33",
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"jeff40/300": "j40",
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"jendl4": "jn4",
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"jendl5": "jn5",
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}
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# Natural carbon split by atom fraction (approx.)
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C12_FRAC = 0.9889
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C13_FRAC = 0.0111
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CARBON_MODE = {
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"endfb71_official": "TO_C0",
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"endfb80_official": "TO_C12C13",
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"endfb81_official": "TO_C12C13",
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"jeff32_other": "TO_C0",
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"jeff33_official": "TO_C0",
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"jeff40/300": "TO_C12C13",
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"jendl4": "TO_C0",
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"jendl5": "TO_C12C13",
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}
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def cleanup_previous_run_artifacts():
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# Remove artifacts from previous run in the current folder (do NOT delete base model.xml)
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for pat in [
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"statepoint.*.h5",
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"summary.h5",
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"tallies.out.h5",
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"openmc_simulation_n*.h5",
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]:
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for f in glob.glob(pat):
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try:
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os.remove(f)
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except OSError:
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pass
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def rename_outputs(tag: str):
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# Rename any file ending with .h5 to .h5_{tag}
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for f in glob.glob("*.h5"):
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new_name = f"{f}_{tag}"
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os.rename(f, new_name)
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def _get_af(mat: openmc.Material, nuc: str) -> float:
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try:
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return float(mat.get_nuclide_atom_densities(nuc).get(nuc, 0.0))
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except Exception:
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return 0.0
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def _remove_if_present(mat, nuc: str) -> None:
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try:
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mat.remove_nuclide(nuc)
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except Exception:
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pass
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def _ensure_to_c0(mat):
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# print("from C12/C13 to C0")
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# breakpoint()
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c0 = _get_af(mat, "C0")
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c12 = _get_af(mat, "C12")
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c13 = _get_af(mat, "C13")
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total = c0 + c12 + c13
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if total > 0.0:
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_remove_if_present(mat, "C0")
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_remove_if_present(mat, "C12")
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_remove_if_present(mat, "C13")
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mat.add_nuclide("C0", total)
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def _ensure_to_c12c13(mat):
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# print("from C0 to C12/C13")
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# breakpoint()
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c0 = _get_af(mat, "C0")
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if c0 > 0.0:
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_remove_if_present(mat, "C0")
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mat.add_nuclide("C12", c0 * C12_FRAC)
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mat.add_nuclide("C13", c0 * C13_FRAC)
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def apply_carbon_mode(materials, mode: str):
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for mat in materials:
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if mode == "TO_C0":
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_ensure_to_c0(mat)
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elif mode == "TO_C12C13":
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_ensure_to_c12c13(mat)
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else:
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raise ValueError(f"Unknown carbon mode: {mode}")
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return materials
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def main() -> None:
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if not Path("model.xml").exists():
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raise FileNotFoundError(f"Missing model.xml in current directory")
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for lib_dir in LIB_DIRS:
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tag = LIB_TAGS[lib_dir]
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print(f"--- Running with library: {lib_dir} (tag: {tag}) ---")
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xs = LIB_ROOT / lib_dir / "cross_sections.xml"
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if not xs.exists():
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raise FileNotFoundError(f"Missing cross_sections.xml: {xs}")
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# Make a temporary copy of model.xml -> original_model.xml
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original_model_xml = Path("original_model.xml")
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with open("model.xml", "rb") as src, open(original_model_xml, "wb") as dst:
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dst.write(src.read())
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# Load, apply library + carbon rules, save back
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model = openmc.Model.from_model_xml("original_model.xml")
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model.materials.cross_sections = str(xs)
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mode = CARBON_MODE[lib_dir]
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model.materials = apply_carbon_mode(model.materials, mode)
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model.export_to_model_xml()
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# breakpoint()
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openmc.run()
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# Rename outputs with tag and model.xml to model_{tag}.xml
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rename_outputs(tag)
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staged = Path("model.xml")
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if staged.exists():
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staged.rename(f"model_{tag}.xml")
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# Restore original model.xml from original_model.xml
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if original_model_xml.exists():
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with open(original_model_xml, "rb") as src, open("model.xml", "wb") as dst:
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dst.write(src.read())
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original_model_xml.unlink()
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if __name__ == "__main__":
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main()
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