def test_read_mcnp_wcomments():
expected_material = Material(nucvec={
922350000: 0.04,
922380000: 0.96
},
mass=-1.0,
density=19.1,
metadata={
"comments":
(" first line of comments second line of "
"comments third line of comments forth "
"line of comments"),
"mat_number":
"1",
"name":
" leu",
"source":
" Some http://URL.com",
"table_ids": {
'922350': "15c"
}
})
expected_material.mass = -1.0 # to avoid reassignment to +1.0
read_materials = mats_from_inp('mcnp_inp_comments.txt')
assert_equal(expected_material, read_materials[1])
def uwuw_matlib(inp, out):
mats = mats_from_inp(inp)
uwuw_mats = {}
for mat in mats.values():
if isinstance(mat, MultiMaterial):
m = mat._mats.keys()[0]
else:
m = mat
mat_name = "m{0}".format(m.metadata["mat_number"])
m.metadata["name"] = mat_name
uwuw_mats[mat_name] = m
ml = MaterialLibrary(uwuw_mats)
ml.write_hdf5(out, datapath='/material_library/materials',
nucpath='/material_library/nucid')
def test_read_mcnp():
expected_material = Material(nucvec={
922350000: 0.04,
922380000: 0.96
},
mass=-1.0,
density=19.1,
metadata={
"comments":
(" first line of comments second line of "
"comments third line of comments forth "
"line of comments"),
"mat_number":
"1",
"name":
" leu",
"source":
" Some http://URL.com",
"table_ids": {
'922350': "15c"
}
})
expected_material.mass = -1.0 # to avoid reassignment to +1.0
expected_material_default_lib = Material(
{
10000000: 0.037298334378933776,
60000000: 0.6666767493126631,
80000000: 0.29602491630840305
}, 54.04749412269001, 1.1, 6.0, {
"mat_number": "3",
"HLIB": "42h",
"NLIB": "60c",
"PLIB": "01p",
"table_ids": {}
})
expected_multimaterial = MultiMaterial({
Material({
10000000: 0.1118983878322976,
80000000: 0.8881016121677024
}, -1.0, 0.9, 3, {
"comments": (" Here are comments the comments "
"continue here are more even more"),
"mat_number":
"2",
"name":
" water",
"source":
" internet",
"table_ids": {
'10000': "05c"
}
}):
1,
Material({
10000000: 0.1118983878322976,
80000000: 0.8881016121677024
}, -1.0, 1.0021552889251644, 3, {
"comments": (" Here are comments the comments "
"continue here are more even more"),
"mat_number":
"2",
"name":
" water",
"source":
" internet",
"table_ids": {
'10000': "05c"
}
}):
1,
Material({
10000000: 0.1118983878322976,
80000000: 0.8881016121677024
}, -1.0, 1.1, 3, {
"comments": (" Here are comments the comments "
"continue here are more even more"),
"mat_number":
"2",
"name":
" water",
"source":
" internet",
"table_ids": {
'10000': "05c"
}
}):
1
})
read_materials = mats_from_inp('mcnp_inp.txt')
assert_almost_equal(expected_material, read_materials[1])
assert_equal(expected_material_default_lib, read_materials[3])
assert_equal(
list(expected_multimaterial._mats.keys())[0].comp.keys(),
list(read_materials[2]._mats.keys())[0].comp.keys())
for i in range(2):
assert_almost_equal(
list(list(
expected_multimaterial._mats.keys())[0].comp.values())[i],
list(list(read_materials[2]._mats.keys())[0].comp.values())[i])
assert_almost_equal(
list(expected_multimaterial._mats.keys())[0].mass,
list(read_materials[2]._mats.keys())[0].mass)
assert_almost_equal(
list(expected_multimaterial._mats.keys())[0].density,
list(read_materials[2]._mats.keys())[0].density)
assert_equal(
list(expected_multimaterial._mats.keys())[0].atoms_per_molecule,
list(read_materials[2]._mats.keys())[0].atoms_per_molecule)
assert_equal(
list(expected_multimaterial._mats.keys())[0].metadata,
list(read_materials[2]._mats.keys())[0].metadata)
assert_equal(
list(expected_multimaterial._mats.keys())[1].comp.keys(),
list(read_materials[2]._mats.keys())[1].comp.keys())
for i in range(2):
assert_almost_equal(
list(list(
expected_multimaterial._mats.keys())[1].comp.values())[i],
list(list(read_materials[2]._mats.keys())[1].comp.values())[i])
assert_equal(
list(expected_multimaterial._mats.keys())[1].mass,
list(read_materials[2]._mats.keys())[1].mass)
assert_almost_equal(
list(expected_multimaterial._mats.keys())[1].density,
list(read_materials[2]._mats.keys())[1].density)
assert_equal(
list(expected_multimaterial._mats.keys())[1].atoms_per_molecule,
list(read_materials[2]._mats.keys())[1].atoms_per_molecule)
assert_equal(
list(expected_multimaterial._mats.keys())[1].metadata,
list(read_materials[2]._mats.keys())[1].metadata)
assert_almost_equal(
list(expected_multimaterial._mats.keys())[2].density,
list(read_materials[2]._mats.keys())[2].density)
for zaid, atomfraction in zip(zaids, atomfractions):
f.write(zaid + ' ' + atomfraction + '\n')
f.write('/m' + material_number + '\n')
f.close()
parser = argparse.ArgumentParser()
parser.add_argument('-of',
'--output_filename',
type=str,
default='materials.h5')
args = parser.parse_args()
output_filename = args.output_filename
mcnp_lib_nbi_2017 = mats_from_inp("mcnp_models/DEMO_NBI_.i")
mcnp_lib = mats_from_inp("mcnp_models/demo.inp")
mcnp_lib_generic = mats_from_inp(
"mcnp_models/2017_Generic_DEMO_MCNP_22_5deg_v1_1.txt")
my_material_library = MaterialLibrary()
#check_materials_are_the_same(mat1=mcnp_lib_generic[25],mat2=mcnp_lib_nbi_2017[25])
my_material_library['homogenised_magnet'] = mcnp_lib_generic[
25].expand_elements()
#my_material_library['homogenised_magnet'].metadata='homogenised_magnet used in the central sol, poloidal and toroidal magnets'
my_material_library['SS-316L(N)-IG'] = mcnp_lib_generic[50].expand_elements()
# my_material_library['SS-316L(N)-IG'].metadata='SS-316L(N)-IG used in the magnet casing and vacuum vessel skin, cyrostat and NBI vessel'
def test_read_mcnp():
expected_material = Material(nucvec={922350000: 0.04, 922380000: 0.96},
mass=-1.0,
density=19.1,
metadata={"comments": (
" first line of comments second line of "
"comments third line of comments forth "
"line of comments"),
"mat_number": "1",
"name": " leu",
"source": " Some http://URL.com",
"table_ids": {'922350': "15c"}})
expected_material.mass = -1.0 # to avoid reassignment to +1.0
expected_multimaterial = MultiMaterial({
Material(
{10000000: 0.11189838783149784, 80000000: 0.8881016121685023},
-1.0, 0.9, 3,
{"comments":
(" Here are comments the comments "
"continue here are more even more"),
"mat_number": "2",
"name": " water",
"source": " internet",
"table_ids": {'10000': "05c"}}): 1,
Material(
{10000000: 0.11189838783149784, 80000000: 0.8881016121685023},
-1.0,
1.0021552889223864, 3,
{"comments":
(" Here are comments the comments "
"continue here are more even more"),
"mat_number": "2",
"name": " water",
"source": " internet",
"table_ids": {'10000': "05c"}}): 1})
read_materials = mats_from_inp('mcnp_inp.txt')
assert_equal(expected_material, read_materials[1])
assert_equal(
list(expected_multimaterial._mats.keys())[0].comp,
list(read_materials[2]._mats.keys())[0].comp)
assert_equal(
list(expected_multimaterial._mats.keys())[0].mass,
list(read_materials[2]._mats.keys())[0].mass)
assert_equal(
list(expected_multimaterial._mats.keys())[0].density,
list(read_materials[2]._mats.keys())[0].density)
assert_equal(
list(expected_multimaterial._mats.keys())[0].atoms_per_molecule,
list(read_materials[2]._mats.keys())[0].atoms_per_molecule)
assert_equal(
list(expected_multimaterial._mats.keys())[0].metadata,
list(read_materials[2]._mats.keys())[0].metadata)
assert_equal(
list(expected_multimaterial._mats.keys())[1].comp,
list(read_materials[2]._mats.keys())[1].comp)
assert_equal(
list(expected_multimaterial._mats.keys())[1].mass,
list(read_materials[2]._mats.keys())[1].mass)
assert_equal(
list(expected_multimaterial._mats.keys())[1].density,
list(read_materials[2]._mats.keys())[1].density)
assert_equal(
list(expected_multimaterial._mats.keys())[1].atoms_per_molecule,
list(read_materials[2]._mats.keys())[1].atoms_per_molecule)
assert_equal(
list(expected_multimaterial._mats.keys())[1].metadata,
list(read_materials[2]._mats.keys())[1].metadata)
material.metadata["table_ids"] = table_ids
# Optionally output material information
if (verbose):
print material
print material.mcnp()
# Return the material
return material
##############################
# Import materials from MCNP #
##############################
mat = pyne_mcnp.mats_from_inp(input_mcnp_file)
###################################
# Update materials for PyNE/DAGMC #
###################################
# Add necessary data to the MCNP materials
mat[1].density = 8.9
mat[1].metadata = {"name": "CuCrZr", "density_unit": "g/cm3"}
mat[1] = set_xs_library(mat[1], fendl3)
# Remove the pre-existing library file
os.system('rm Materials.h5m -f')
# Create a PyNE materials library object
