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Serpent material temps #178

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merged 14 commits into from
Jan 9, 2023
Merged

Serpent material temps #178

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32c02be
add machinery to use the original material card in the runtime materi…
yardasol Nov 28, 2022
0f690a3
add missing comma
yardasol Nov 28, 2022
42a1253
syntax fixes
yardasol Nov 28, 2022
5586a09
fix nonpassing tests
yardasol Nov 29, 2022
5f84d01
Merge branch 'master' into serpent-material-temps
yardasol Dec 6, 2022
d0c5b55
update release notes
yardasol Dec 7, 2022
df1c026
get_material_data() -> get_burnable_material_card_data()
yardasol Dec 7, 2022
d51b204
added test for burnable_material_card_data attribute
yardasol Dec 7, 2022
f0e9b22
fix writing of runtime material file
yardasol Dec 7, 2022
d206857
add check for fix option in mat card
yardasol Dec 7, 2022
08d94a5
make new functions private
yardasol Dec 7, 2022
aa46951
clean up new functions
yardasol Dec 7, 2022
0c17f30
add tests for if statements in new functions
yardasol Dec 7, 2022
35cdb8d
remove '_' prefix in test variable
yardasol Dec 15, 2022
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6 changes: 4 additions & 2 deletions doc/releasenotes/v0.5.0.rst
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Original file line number Diff line number Diff line change
Expand Up @@ -148,13 +148,15 @@ Python API Changes
- ``write_mat_file()`` → ``update_depletable_materials()``
- ``get_nuc_name()`` → ``convert_nuclide_code_to_name()``
- ``convert_nuclide_name_serpent_to_zam()`` → ``convert_nuclide_code_to_zam()``
- ``change_sim_par()`` → (deleted)
- (new function) → ``get_neutron_settings()``
- ``create_iter_matfile()`` → ``create_runtime_matfile()``
- ``replace_burnup_parameters()`` → ``set_power_load()``
- ``write_depcode_input()`` → ``write_runtime_input()``
- ``iter_inputfile`` → ``runtime_inputfile``
- ``iter_matfile`` → ``runtime_matfile``
- ``change_sim_par()`` → (deleted)
- (new function) → ``get_neutron_settings()``
- (new function) → ``_get_burnable_materials_file()``
- (new function) → ``_get_burnable_material_card_data()``


- ``OpenMCDepcode`` is a ``Depcode`` subclass that interfaces with ``openmc``. This class implements the following functions
Expand Down
61 changes: 47 additions & 14 deletions saltproc/serpent_depcode.py
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Expand Up @@ -34,7 +34,9 @@ class SerpentDepcode(Depcode):
Number of active cycles.
inactive_cycles : int
Number of inactive cycles.

burnable_material_card_data : dict of str to tuple
Dictionary containing burnable material cards
and the index of the `vol` option.

"""

Expand Down Expand Up @@ -95,7 +97,7 @@ def get_neutron_settings(self, file_lines):

def create_runtime_matfile(self, file_lines):
"""Creates the runtime material file tracking burnable materials
ans inserts the path to this file in the Serpent2 runtime input file
and inserts the path to this file in the Serpent2 runtime input file

Parameters
----------
Expand All @@ -108,6 +110,20 @@ def create_runtime_matfile(self, file_lines):
Serpent2 runtime input file with updated material file path.

"""
burnable_materials_path, absolute_path = self._get_burnable_materials_file(file_lines)

# Create data directory
Path.mkdir(Path(self.runtime_matfile).parents[0], exist_ok=True)

# Get material cards
flines = self.read_plaintext_file(absolute_path)
self._get_burnable_material_card_data(flines)

# Create file with path for SaltProc rewritable iterative material file
shutil.copy2(absolute_path, self.runtime_matfile)
return [line.replace(burnable_materials_path, self.runtime_matfile) for line in file_lines]

def _get_burnable_materials_file(self, file_lines):
runtime_dir = Path(self.template_input_file_path).parents[0]
include_card = [line for line in file_lines if line.startswith("include ")]
if not include_card:
Expand All @@ -124,12 +140,25 @@ def create_runtime_matfile(self, file_lines):
raise IOError('Template file '
f'{self.template_input_file_path} includes '
'no file with materials description')
# Create data directory
Path.mkdir(Path(self.runtime_matfile).parents[0], exist_ok=True)

# Create file with path for SaltProc rewritable iterative material file
shutil.copy2(absolute_path, self.runtime_matfile)
return [line.replace(burnable_materials_path, self.runtime_matfile) for line in file_lines]
return burnable_materials_path, absolute_path.resolve()

def _get_burnable_material_card_data(self, file_lines):
# Get data for matfile
mat_cards = \
[line.split() for line in file_lines if line.startswith("mat ")]

for card in mat_cards:
if 'fix' not in card:
raise IOError(f'"mat" card for burnable material "{card[1]}'
'does not have a "fix" option. Burnable materials'
'in SaltProc must include the "fix" option. See'
'the serpent wiki for more information: '
'https://serpent.vtt.fi/mediawiki/index.php/Input_syntax_manual#mat')
# Get volume indices
card_volume_idx = [(card.index('vol') + 1) for card in mat_cards]
mat_names = [card[1] for card in mat_cards]
mat_data = zip(mat_cards, card_volume_idx)#, mat_extensions)
self._burnable_material_card_data = dict(zip(mat_names, mat_data))

def convert_nuclide_code_to_name(self, nuc_code):
"""Converts Serpent2 nuclide code to symbolic nuclide name.
Expand Down Expand Up @@ -520,13 +549,17 @@ def update_depletable_materials(self, mats, dep_end_time):
f.write('%% Material compositions (after %f days)\n\n'
% dep_end_time)
nuc_code_map = self.map_nuclide_code_zam_to_serpent()
if not(hasattr(self, '_burnable_material_card_data')):
lines = self.read_plaintext_file(self.template_input_file_path)
_, abs_src_matfile = self.get_burnable_materials_file(lines)
file_lines = self.read_plaintext_file(abs_src_matfile)
self._get_burnable_material_card_data(file_lines)
for name, mat in mats.items():
f.write('mat %s %5.9E burn 1 fix %3s %4i vol %7.5E\n' %
(name,
-mat.density,
'09c',
mat.temp,
mat.vol))
mat_card, card_volume_idx = self._burnable_material_card_data[name]
mat_card[2] = str(-mat.density)
mat_card[card_volume_idx] = "%7.5E" % mat.vol
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This feels like a hardcoded value. Is this the case?

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No this is string formatting

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That's what I was thinking. Just wanted to make sure it wasn't hard coding any values.

f.write(" ".join(mat_card))
f.write("\n")
for nuc_code, mass_fraction in mat.comp.items():
zam_code = pyname.zzaaam(nuc_code)
f.write(' %9s %7.14E\n' %
Expand Down
48 changes: 48 additions & 0 deletions tests/integration_tests/file_interface_serpent/test.py
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Expand Up @@ -36,6 +36,54 @@ def test_runtime_input_from_template(serpent_depcode, msr):
file_data = serpent_depcode.create_runtime_matfile(file_data)
assert file_data[0].split()[-1] == '\"' + \
serpent_depcode.runtime_matfile + '\"'

# get_burnable_material_card_data
_burnable_material_card_data = {'fuel':
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Maybe this is just a knowledge gap on my part, but why did you add the underscore here? This looks like a variable to me, not a call of that private function?

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It's a private attribute

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I get that for in line 79. But even when you define it here and use it in line 80? It's still a private attribute in those locations?

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no, this is just for naming consistency. Should I name it something else?

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I would recommend changing the same some when you're not calling the attribute. It was a little confusing to me to have the two things you're comparing be named the same thing. I like to use the exp and obs (as in expected and observed) that Katy uses in her book for my tests. But your choice as to what you change it to.

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Okay I'll do this

(['mat',
'fuel',
'-4.960200000E+00',
'rgb',
'253',
'231',
'37',
'burn',
'1',
'fix',
'09c',
'900',
'vol',
'4.435305E+7',
'%',
'just',
'core',
'volume',
'2.27175E+07'], 13),
'ctrlPois':
(['mat',
'ctrlPois',
'-2.52',
'burn',
'1',
'fix',
'09c',
'900',
'rgb',
'255',
'128',
'0',
'vol',
'1.11635E+04'], 13)}


for ref_key, test_key in \
zip(serpent_depcode._burnable_material_card_data.keys(),
_burnable_material_card_data.keys()):
assert ref_key == test_key
ref_data = serpent_depcode._burnable_material_card_data[ref_key]
test_data = _burnable_material_card_data[test_key]
np.testing.assert_array_equal(np.array(ref_data, dtype=object),
np.array(test_data, dtype=object))

remove(serpent_depcode.runtime_matfile)

# set_power_load
Expand Down