Merge pull request #1166 from liangjg/develop

Updated atomic mass evaluation to AME 2016

openmc/data/data.py

@@ -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):

setup.py

@@ -32,7 +32,7 @@ kwargs = {
     # Data files and librarries
     'package_data': {
         'openmc.capi': ['libopenmc.{}'.format(suffix)],
-        'openmc.data': ['mass.mas12', 'BREMX.DAT', '*.h5']
+        'openmc.data': ['mass16.txt', 'BREMX.DAT', '*.h5']
     },
 
     # Metadata

tests/unit_tests/test_data_misc.py

@@ -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')