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Changes in data/data.py from PullRequest Inc. review

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This commit is contained in:
Paul Romano 2020-04-01 09:11:04 -05:00
parent 578f1eb1a8
commit 0859c149ae
1 changed files with 25 additions and 22 deletions
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47
openmc/data/data.py
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@ -177,9 +177,24 @@ ATOMIC_SYMBOL = {0: 'n', 1: 'H', 2: 'He', 3: 'Li', 4: 'Be', 5: 'B', 6: 'C',
118: 'Og'}
ATOMIC_NUMBER = {value: key for key, value in ATOMIC_SYMBOL.items()}
_ATOMIC_MASS = {}
# Values here are from the Committee on Data for Science and Technology
# (CODATA) 2014 recommendation (doi:10.1103/RevModPhys.88.035009).
_GND_NAME_RE = re.compile(r'([A-Zn][a-z]*)(\d+)((?:_[em]\d+)?)')
# The value of the Boltzman constant in units of eV / K
K_BOLTZMANN = 8.6173303e-5
# Unit conversions
EV_PER_MEV = 1.0e6
JOULE_PER_EV = 1.6021766208e-19
# Avogadro's constant
AVOGADRO = 6.022140857e23
# Neutron mass in units of amu
NEUTRON_MASS = 1.00866491588
# Used in atomic_mass function as a cache
_ATOMIC_MASS = {}
def atomic_mass(isotope):
@ -290,12 +305,14 @@ def water_density(temperature, pressure=0.1013):
# but they only use 3 digits for their conversion to K.)
if pressure > 100.0:
warn("Results are not valid for pressures above 100 MPa.")
if pressure < 0.0:
warn("Results are not valid for pressures below zero.")
elif pressure < 0.0:
raise ValueError("Pressure must be positive.")
if temperature < 273:
warn("Results are not valid for temperatures below 273.15 K.")
if temperature > 623.15:
elif temperature > 623.15:
warn("Results are not valid for temperatures above 623.15 K.")
elif temperature <= 0.0:
raise ValueError('Temperature must be positive.')
# IAPWS region 4 parameters
n4 = [0.11670521452767e4, -0.72421316703206e6, -0.17073846940092e2,
@ -384,6 +401,9 @@ def gnd_name(Z, A, m=0):
return '{}{}'.format(ATOMIC_SYMBOL[Z], A)
_GND_NAME_RE = re.compile(r'([A-Zn][a-z]*)(\d+)((?:_[em]\d+)?)')
def zam(name):
"""Return tuple of (atomic number, mass number, metastable state)
@ -410,20 +430,3 @@ def zam(name):
metastable = int(state[2:]) if state else 0
return (ATOMIC_NUMBER[symbol], int(A), metastable)
# Values here are from the Committee on Data for Science and Technology
# (CODATA) 2014 recommendation (doi:10.1103/RevModPhys.88.035009).
# The value of the Boltzman constant in units of eV / K
K_BOLTZMANN = 8.6173303e-5
# Unit conversions
EV_PER_MEV = 1.0e6
JOULE_PER_EV = 1.6021766208e-19
# Avogadro's constant
AVOGADRO = 6.022140857e23
# Neutron mass in units of amu
NEUTRON_MASS = 1.00866491588