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Option to not expand elements to their constituent isotopes #35

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17 changes: 11 additions & 6 deletions src/openmc_mcnp_adapter/openmc_conversion.py
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Original file line number Diff line number Diff line change
Expand Up @@ -104,7 +104,7 @@ def rotation_matrix(v1, v2):
return I + K * sin_angle + (K @ K) * (1 - cos_angle)


def get_openmc_materials(materials):
def get_openmc_materials(materials, expand_elements: bool = True):
"""Get OpenMC materials from MCNP materials

Parameters
Expand All @@ -130,12 +130,12 @@ def get_openmc_materials(materials):
zaid = nuclide
name, element, Z, A, metastable = get_metadata(int(zaid), 'mcnp')
if percent < 0:
if A > 0:
if (A > 0) or (not expand_elements):
material.add_nuclide(name, abs(percent), 'wo')
else:
material.add_element(element, abs(percent), 'wo')
else:
if A > 0:
if (A > 0) or (not expand_elements):
material.add_nuclide(name, percent, 'ao')
else:
material.add_element(element, percent, 'ao')
Expand Down Expand Up @@ -863,7 +863,7 @@ def replace_complement(region, cells):
return universes


def mcnp_to_model(filename, merge_surfaces: bool = True) -> openmc.Model:
def mcnp_to_model(filename, merge_surfaces: bool = True, expand_elements: bool = True) -> openmc.Model:
"""Convert MCNP input to OpenMC model

Parameters
Expand All @@ -882,7 +882,7 @@ def mcnp_to_model(filename, merge_surfaces: bool = True) -> openmc.Model:

cells, surfaces, data = parse(filename)

openmc_materials = get_openmc_materials(data['materials'])
openmc_materials = get_openmc_materials(data['materials'], expand_elements)
openmc_surfaces = get_openmc_surfaces(surfaces, data)
openmc_universes = get_openmc_universes(cells, openmc_surfaces,
openmc_materials, data)
Expand Down Expand Up @@ -933,14 +933,19 @@ def mcnp_to_openmc():
help='Remove redundant surfaces when exporting XML')
parser.add_argument('--no-merge-surfaces', dest='merge_surfaces', action='store_false',
help='Do not remove redundant surfaces when exporting XML')
parser.add_argument('--expand-elements', action='store_true',
help='Expand elements to their constituent isotopes')
parser.add_argument('--no-expand-elements', dest='expand_elements', action='store_false',
help='Do not expand elements to their constituent isotopes')
parser.add_argument('-o', '--output', default='model.xml',
help='Name for the OpenMC model XML file')
parser.add_argument('-s', '--separate-xml', action='store_true',
help='Write separate XML files')
parser.set_defaults(merge_surfaces=True)
parser.set_defaults(expand_elements=True)
args = parser.parse_args()

model = mcnp_to_model(args.mcnp_filename, args.merge_surfaces)
model = mcnp_to_model(args.mcnp_filename, args.merge_surfaces, args.expand_elements)
if args.separate_xml:
model.export_to_xml()
else:
Expand Down