crp/OpenMC
1
0
Fork 0
mirror of https://github.com/openmc-dev/openmc.git synced 2026-07-29 06:35:48 -04:00
Code Issues Projects Releases Packages Wiki Activity Actions 5

Updated atomic mass evaluation to AME 2016, close #1137

Browse source
This commit is contained in:
liangjg 2019-02-13 21:10:09 +00:00
parent f5b1a39d4a
commit 3122e14010
4 changed files with 3482 additions and 3399 deletions
Download patch file Download diff file Expand all files Collapse all files

8
openmc/data/data.py
View file

@ -141,8 +141,8 @@ _GND_NAME_RE = re.compile(r'([A-Zn][a-z]*)(\d+)((?:_[em]\d+)?)')
def atomic_mass(isotope):
"""Return atomic mass of isotope in atomic mass units.
Atomic mass data comes from the `Atomic Mass Evaluation 2012
<https://www-nds.iaea.org/amdc/ame2012/AME2012-1.pdf>`_.
Atomic mass data comes from the `Atomic Mass Evaluation 2016
<https://www-nds.iaea.org/amdc/ame2016/AME2016-a.pdf>`_.
Parameters
----------
@ -157,8 +157,8 @@ def atomic_mass(isotope):
"""
if not _ATOMIC_MASS:
# Load data from AME2012 file
mass_file = os.path.join(os.path.dirname(__file__), 'mass.mas12')
# Load data from AME2016 file
mass_file = os.path.join(os.path.dirname(__file__), 'mass16.txt')
with open(mass_file, 'r') as ame:
# Read lines in file starting at line 40
for line in itertools.islice(ame, 39, None):

3392
openmc/data/mass.mas12
View file

File diff suppressed because it is too large Load diff

3475
openmc/data/mass16.txt Normal file
View file

File diff suppressed because it is too large Load diff

6
tests/unit_tests/test_data_misc.py
View file

@ -51,14 +51,14 @@ def test_thin():
def test_atomic_mass():
assert openmc.data.atomic_mass('H1') == 1.00782503223
assert openmc.data.atomic_mass('U235') == 235.043930131
assert openmc.data.atomic_mass('H1') == 1.00782503224
assert openmc.data.atomic_mass('U235') == 235.04392819
with pytest.raises(KeyError):
openmc.data.atomic_mass('U100')
def test_atomic_weight():
assert openmc.data.atomic_weight('C') == 12.011115164862904
assert openmc.data.atomic_weight('C') == 12.011115164864455
with pytest.raises(ValueError):
openmc.data.atomic_weight('Qt')