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Rework get_thermal_name a bit and update known thermal scattering materials

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This commit is contained in:
Paul Romano 2016-10-21 15:15:00 -05:00
parent 5afd4c369f
commit 5edf1b3d27
2 changed files with 69 additions and 55 deletions
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122
openmc/data/thermal.py
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@ -17,51 +17,80 @@ from .correlated import CorrelatedAngleEnergy
from openmc.stats import Discrete, Tabular
_THERMAL_NAMES = {'al': 'c_Al27', 'al27': 'c_Al27',
'be': 'c_Be',
'beo': 'c_BeO',
'bebeo': 'c_Be_in_BeO', 'be-o': 'c_Be_in_BeO', 'be/o': 'c_Be_in_BeO',
'benz': 'c_Benzine',
'cah': 'c_Ca_in_CaH2',
'dd2o': 'c_D_in_D2O', 'hwtr': 'c_D_in_D2O', 'hw': 'c_D_in_D2O',
'fe': 'c_Fe56', 'fe56': 'c_Fe56',
'graph': 'c_Graphite', 'grph': 'c_Graphite', 'gr': 'c_Graphite',
'hca': 'c_H_in_CaH2',
'hch2': 'c_H_in_CH2', 'poly': 'c_H_in_CH2', 'pol': 'c_H_in_CH2',
'hh2o': 'c_H_in_H2O', 'lwtr': 'c_H_in_H2O', 'lw': 'c_H_in_H2O',
'hzrh': 'c_H_in_ZrH', 'h-zr': 'c_H_in_ZrH', 'h/zr': 'c_H_in_ZrH', 'hzr': 'c_H_in_ZrH',
'lch4': 'c_liquid_CH4', 'lmeth': 'c_liquid_CH4',
'mg': 'c_Mg24',
'obeo': 'c_O_in_BeO', 'o-be': 'c_O_in_BeO', 'o/be': 'c_O_in_BeO',
'orthod': 'c_ortho_D', 'dortho': 'c_ortho_D',
'orthoh': 'c_ortho_H', 'hortho': 'c_ortho_H',
'ouo2': 'c_O_in_UO2', 'o2-u': 'c_O_in_UO2', 'o2/u': 'c_O_in_UO2',
'sio2': 'c_SiO2',
'parad': 'c_para_D', 'dpara': 'c_para_D',
'parah': 'c_para_H', 'hpara': 'c_para_H',
'sch4': 'c_solid_CH4', 'smeth': 'c_solid_CH4',
'uuo2': 'c_U_in_UO2', 'u-o2': 'c_U_in_UO2', 'u/o2': 'c_U_in_UO2',
'zrzrh': 'c_Zr_in_ZrH', 'zr-h': 'c_Zr_in_ZrH', 'zr/h': 'c_Zr_in_ZrH'}
_THERMAL_NAMES = {
'c_Al27': ('al', 'al27'),
'c_Be': ('be', 'be-metal'),
'c_BeO': ('beo',),
'c_Be_in_BeO': ('bebeo', 'be-o', 'be/o'),
'c_C6H6': ('benz', 'c6h6'),
'c_C_in_SiC': ('csic',),
'c_Ca_in_CaH2': ('cah',),
'c_D_in_D2O': ('dd2o', 'hwtr', 'hw'),
'c_Fe56': ('fe', 'fe56'),
'c_Graphite': ('graph', 'grph', 'gr'),
'c_H_in_CaH2': ('hcah2',),
'c_H_in_CH2': ('hch2', 'poly', 'pol'),
'c_H_in_CH4_liquid': ('lch4', 'lmeth'),
'c_H_in_CH4_solid': ('sch4', 'smeth'),
'c_H_in_H2O': ('hh2o', 'lwtr', 'lw'),
'c_H_in_H2O_solid': ('hice',),
'c_H_in_C5O2H8': ('lucite', 'c5o2h8'),
'c_H_in_YH2': ('hyh2',),
'c_H_in_ZrH': ('hzrh', 'h-zr', 'h/zr', 'hzr'),
'c_Mg24': ('mg', 'mg24'),
'c_O_in_BeO': ('obeo', 'o-be', 'o/be'),
'c_O_in_D2O': ('od2o',),
'c_O_in_H2O_ice': ('oice',),
'c_O_in_UO2': ('ouo2', 'o2-u', 'o2/u'),
'c_ortho_D': ('orthod', 'dortho'),
'c_ortho_H': ('orthoh', 'hortho'),
'c_Si_in_SiC': ('sisic',),
'c_SiO2_alpha': ('sio2', 'sio2a'),
'c_SiO2_beta': ('sio2b'),
'c_para_D': ('parad', 'dpara'),
'c_para_H': ('parah', 'hpara'),
'c_U_in_UO2': ('uuo2', 'u-o2', 'u/o2'),
'c_Y_in_YH2': ('yyh2',),
'c_Zr_in_ZrH': ('zrzrh', 'zr-h', 'zr/h')
}
def get_thermal_name(name):
"""Get proper S(a,b) table name, e.g. 'HH2O' -> 'c_H_in_H2O'"""
"""Get proper S(a,b) table name, e.g. 'HH2O' -> 'c_H_in_H2O'
if name in _THERMAL_NAMES.values():
Parameters
----------
name : str
Name of an ACE thermal scattering table
Returns
-------
str
GND-format thermal scattering name
"""
if name in _THERMAL_NAMES:
return name
elif name.lower() in _THERMAL_NAMES:
return _THERMAL_NAMES[name.lower()]
else:
# Make an educated guess?? This actually works well for
# JEFF-3.2 which stupidly uses names like lw00.32t,
# lw01.32t, etc. for different temperatures
matches = get_close_matches(
name.lower(), _THERMAL_NAMES.keys(), cutoff=0.5)
if len(matches) > 0:
return _THERMAL_NAMES[matches[0]]
for proper_name, names in _THERMAL_NAMES.items():
if name.lower() in names:
return proper_name
else:
# OK, we give up. Just use the ACE name.
return 'c_' + name
# Make an educated guess?? This actually works well for
# JEFF-3.2 which stupidly uses names like lw00.32t,
# lw01.32t, etc. for different temperatures
for proper_name, names in _THERMAL_NAMES.items():
matches = get_close_matches(
name.lower(), names, cutoff=0.5)
if len(matches) > 0:
warn('Thermal scattering material "{}" is not recognized. '
'Assigning a name of {}.'.format(name, proper_name))
return proper_name
else:
# OK, we give up. Just use the ACE name.
warn('Thermal scattering material "{0}" is not recognized. '
'Assigning a name of c_{0}.'.format(name))
return 'c_' + name
class CoherentElastic(EqualityMixin):
@ -425,22 +454,7 @@ class ThermalScattering(EqualityMixin):
# Get new name that is GND-consistent
ace_name, xs = ace.name.split('.')
if name is None:
if ace_name.lower() in _THERMAL_NAMES:
name = _THERMAL_NAMES[ace_name.lower()]
else:
# Make an educated guess?? This actually works well for JEFF-3.2
# which stupidly uses names like lw00.32t, lw01.32t, etc. for
# different temperatures
matches = get_close_matches(
ace_name.lower(), _THERMAL_NAMES.keys(), cutoff=0.5)
if len(matches) > 0:
name = _THERMAL_NAMES[matches[0]]
else:
# OK, we give up. Just use the ACE name.
name = 'c_' + ace.name
warn('Thermal scattering material "{}" is not recognized. '
'Assigning a name of {}.'.format(ace.name, name))
name = get_thermal_name(ace_name)
# Assign temperature to the running list
kTs = [ace.temperature*EV_PER_MEV]

2
scripts/openmc-update-inputs
View file

@ -29,7 +29,7 @@ from shutil import move
import xml.etree.ElementTree as ET
import openmc.data
from openmc.data.thermal import _THERMAL_NAMES
description = "Update OpenMC's input XML files to the latest format."
epilog = """\