crp/OpenMC
1
0
Fork 0
mirror of https://github.com/openmc-dev/openmc.git synced 2026-07-28 22:26:08 -04:00
Code Issues Projects Releases Packages Wiki Activity Actions 5

modified data.py to set the atomic masses for all zero isotopes

Browse source
This commit is contained in:
Sam Shaner 2016-11-09 23:00:08 -05:00
parent e16b038825
commit 2208800981
1 changed files with 6 additions and 17 deletions
Download patch file Download diff file Expand all files Collapse all files

23
openmc/data/data.py
View file

@ -1,6 +1,5 @@
import itertools
import os
import re
# Isotopic abundances from M. Berglund and M. E. Wieser, "Isotopic compositions
@ -151,26 +150,16 @@ def atomic_mass(isotope):
"""
if not _ATOMIC_MASS:
# If the isotope represents all natural isotopes of the element
# For the isotope represented by all natural isotopes of the element
# (e.g. C0), set atomic mass manually using the values from Atomic
# weights of the elements 2013 (IUPAC Technical Report)
# (doi:10.1515/pac-2015-0305). In cases where an atomic mass range is
# given (e.g. C), the average value is used.
if int(re.split(r"(\d+)", isotope)[1]) == 0:
if re.split(r"(\d+)", isotope)[0] == 'C':
_ATOMIC_MASS[isotope.lower()] = 12.0106
elif re.split(r"(\d+)", isotope)[0] == 'Zn':
_ATOMIC_MASS[isotope.lower()] = 65.38
elif re.split(r"(\d+)", isotope)[0] == 'Pt':
_ATOMIC_MASS[isotope.lower()] = 195.084
elif re.split(r"(\d+)", isotope)[0] == 'Os':
_ATOMIC_MASS[isotope.lower()] = 190.23
elif re.split(r"(\d+)", isotope)[0] == 'Tl':
_ATOMIC_MASS[isotope.lower()] = 204.3835
else:
msg = 'Could not get the atomic mass for zero isotope'\
' {0}.'.format(isotope)
raise ValueError(msg)
_ATOMIC_MASS['c0'] = 12.0106
_ATOMIC_MASS['zn0'] = 65.38
_ATOMIC_MASS['pt0'] = 195.084
_ATOMIC_MASS['os0'] = 190.23
_ATOMIC_MASS['tl0'] = 204.3835
# Load data from AME2012 file
mass_file = os.path.join(os.path.dirname(__file__), 'mass.mas12')