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Rename gnd_name to gnds_name. Change GND to GNDS in comments

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This commit is contained in:
Paul Romano 2022-09-08 14:25:22 -05:00
parent 4e49f69f02
commit ecfa94e0ff
15 changed files with 51 additions and 49 deletions
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2
docs/source/pythonapi/data.rst
View file

@ -66,7 +66,7 @@ Core Functions
decay_energy
decay_photon_energy
dose_coefficients
gnd_name
gnds_name
half_life
isotopes
kalbach_slope

4
docs/source/usersguide/scripts.rst
View file

@ -157,9 +157,9 @@ geometry.xml
added. Any 'surfaces' attributes/elements on a cell will be renamed 'region'.
materials.xml
Nuclide names will be changed from ACE aliases (e.g., Am-242m) to HDF5/GND
Nuclide names will be changed from ACE aliases (e.g., Am-242m) to HDF5/GNDS
names (e.g., Am242_m1). Thermal scattering table names will be changed from
ACE aliases (e.g., HH2O) to HDF5/GND names (e.g., c_H_in_H2O).
ACE aliases (e.g., HH2O) to HDF5/GNDS names (e.g., c_H_in_H2O).
----------------------
``openmc-update-mgxs``

4
openmc/data/ace.py
View file

@ -24,7 +24,7 @@ import numpy as np
import openmc.checkvalue as cv
from openmc.mixin import EqualityMixin
from .data import ATOMIC_SYMBOL, gnd_name, EV_PER_MEV, K_BOLTZMANN
from .data import ATOMIC_SYMBOL, gnds_name, EV_PER_MEV, K_BOLTZMANN
from .endf import ENDF_FLOAT_RE
@ -88,7 +88,7 @@ def get_metadata(zaid, metastable_scheme='nndc'):
# Determine name
element = ATOMIC_SYMBOL[Z]
name = gnd_name(Z, mass_number, metastable)
name = gnds_name(Z, mass_number, metastable)
return (name, element, Z, mass_number, metastable)

19
openmc/data/data.py
View file

@ -197,8 +197,8 @@ NEUTRON_MASS = 1.00866491595
# Used in atomic_mass function as a cache
_ATOMIC_MASS = {}
# Regex for GND nuclide names (used in zam function)
_GND_NAME_RE = re.compile(r'([A-Zn][a-z]*)(\d+)((?:_[em]\d+)?)')
# Regex for GNDS nuclide names (used in zam function)
_GNDS_NAME_RE = re.compile(r'([A-Zn][a-z]*)(\d+)((?:_[em]\d+)?)')
# Used in half_life function as a cache
_HALF_LIFE = {}
@ -436,8 +436,11 @@ def water_density(temperature, pressure=0.1013):
return coeff / pi / gamma1_pi
def gnd_name(Z, A, m=0):
"""Return nuclide name using GND convention
def gnds_name(Z, A, m=0):
"""Return nuclide name using GNDS convention
.. versionchanged:: 0.14.0
Function name changed from ``gnd_name`` to ``gnds_name``
Parameters
----------
@ -451,7 +454,7 @@ def gnd_name(Z, A, m=0):
Returns
-------
str
Nuclide name in GND convention, e.g., 'Am242_m1'
Nuclide name in GNDS convention, e.g., 'Am242_m1'
"""
if m > 0:
@ -502,7 +505,7 @@ def zam(name):
Parameters
----------
name : str
Name of nuclide using GND convention, e.g., 'Am242_m1'
Name of nuclide using GNDS convention, e.g., 'Am242_m1'
Returns
-------
@ -511,10 +514,10 @@ def zam(name):
"""
try:
symbol, A, state = _GND_NAME_RE.match(name).groups()
symbol, A, state = _GNDS_NAME_RE.match(name).groups()
except AttributeError:
raise ValueError(f"'{name}' does not appear to be a nuclide name in "
"GND format")
"GNDS format")
if symbol not in ATOMIC_NUMBER:
raise ValueError(f"'{symbol}' is not a recognized element symbol")

2
openmc/data/decay.py
View file

@ -144,7 +144,7 @@ class FissionProductYields(EqualityMixin):
# Assign basic nuclide properties
self.nuclide = {
'name': ev.gnd_name,
'name': ev.gnds_name,
'atomic_number': ev.target['atomic_number'],
'mass_number': ev.target['mass_number'],
'isomeric_state': ev.target['isomeric_state']

8
openmc/data/endf.py
View file

@ -12,7 +12,7 @@ import re
import numpy as np
from .data import gnd_name
from .data import gnds_name
from .function import Tabulated1D
try:
from ._endf import float_endf
@ -520,8 +520,8 @@ class Evaluation:
self.reaction_list.append((mf, mt, nc, mod))
@property
def gnd_name(self):
return gnd_name(self.target['atomic_number'],
def gnds_name(self):
return gnds_name(self.target['atomic_number'],
self.target['mass_number'],
self.target['isomeric_state'])
@ -531,7 +531,7 @@ class Tabulated2D:
This is a dummy class that is not really used other than to store the
interpolation information for a two-dimensional function. Once we refactor
to adopt GND-like data containers, this will probably be removed or
to adopt GNDS-like data containers, this will probably be removed or
extended.
Parameters

4
openmc/data/multipole.py
View file

@ -748,12 +748,12 @@ class WindowedMultipole(EqualityMixin):
Parameters
----------
name : str
Name of the nuclide using the GND naming convention
Name of the nuclide using the GNDS naming convention
Attributes
----------
name : str
Name of the nuclide using the GND naming convention
Name of the nuclide using the GNDS naming convention
spacing : float
The width of each window in sqrt(E)-space. For example, the frst window
will end at (sqrt(E_min) + spacing)**2 and the second window at

4
openmc/data/neutron.py
View file

@ -44,7 +44,7 @@ class IncidentNeutron(EqualityMixin):
Parameters
----------
name : str
Name of the nuclide using the GND naming convention
Name of the nuclide using the GNDS naming convention
atomic_number : int
Number of protons in the target nucleus
mass_number : int
@ -75,7 +75,7 @@ class IncidentNeutron(EqualityMixin):
Metastable state of the target nucleus. A value of zero indicates ground
state.
name : str
Name of the nuclide using the GND naming convention
Name of the nuclide using the GNDS naming convention
reactions : collections.OrderedDict
Contains the cross sections, secondary angle and energy distributions,
and other associated data for each reaction. The keys are the MT values

2
openmc/data/reaction.py
View file

@ -555,7 +555,7 @@ def _get_activation_products(ev, rx):
Z, A = divmod(items[2], 1000)
excited_state = items[3]
# Get GND name for product
# Get GNDS name for product
symbol = ATOMIC_SYMBOL[Z]
if excited_state > 0:
name = '{}{}_e{}'.format(symbol, A, excited_state)

10
openmc/data/thermal.py
View file

@ -104,7 +104,7 @@ def get_thermal_name(name):
Returns
-------
str
GND-format thermal scattering name
GNDS-format thermal scattering name
"""
if name in _THERMAL_NAMES:
@ -396,7 +396,7 @@ class ThermalScattering(EqualityMixin):
Parameters
----------
name : str
Name of the material using GND convention, e.g. c_H_in_H2O
Name of the material using GNDS convention, e.g. c_H_in_H2O
atomic_weight_ratio : float
Atomic mass ratio of the target nuclide.
kTs : Iterable of float
@ -415,7 +415,7 @@ class ThermalScattering(EqualityMixin):
Inelastic scattering cross section derived in the incoherent
approximation
name : str
Name of the material using GND convention, e.g. c_H_in_H2O
Name of the material using GNDS convention, e.g. c_H_in_H2O
temperatures : Iterable of str
List of string representations the temperatures of the target nuclide
in the data set. The temperatures are strings of the temperature,
@ -491,7 +491,7 @@ class ThermalScattering(EqualityMixin):
ACE table to read from. If given as a string, it is assumed to be
the filename for the ACE file.
name : str
GND-conforming name of the material, e.g. c_H_in_H2O. If none is
GNDS-conforming name of the material, e.g. c_H_in_H2O. If none is
passed, the appropriate name is guessed based on the name of the ACE
table.
@ -596,7 +596,7 @@ class ThermalScattering(EqualityMixin):
ACE table to read from. If given as a string, it is assumed to be
the filename for the ACE file.
name : str
GND-conforming name of the material, e.g. c_H_in_H2O. If none is
GNDS-conforming name of the material, e.g. c_H_in_H2O. If none is
passed, the appropriate name is guessed based on the name of the ACE
table.

16
openmc/deplete/chain.py
View file

@ -15,7 +15,7 @@ from numbers import Real, Integral
from warnings import warn
from openmc.checkvalue import check_type, check_greater_than
from openmc.data import gnd_name, zam, DataLibrary
from openmc.data import gnds_name, zam, DataLibrary
from openmc.exceptions import DataError
from .nuclide import FissionYieldDistribution
@ -135,14 +135,14 @@ def replace_missing(product, decay_data):
Parameters
----------
product : str
Name of product in GND format, e.g. 'Y86_m1'.
Name of product in GNDS format, e.g. 'Y86_m1'.
decay_data : dict
Dictionary of decay data
Returns
-------
product : str
Replacement for missing product in GND format.
Replacement for missing product in GNDS format.
"""
# Determine atomic number, mass number, and metastable state
@ -213,7 +213,7 @@ def replace_missing_fpy(actinide, fpy_data, decay_data):
# Check if metastable state has data (e.g., Am242m)
Z, A, m = zam(actinide)
if m == 0:
metastable = gnd_name(Z, A, 1)
metastable = gnds_name(Z, A, 1)
if metastable in fpy_data:
return metastable
@ -222,7 +222,7 @@ def replace_missing_fpy(actinide, fpy_data, decay_data):
while isotone in decay_data:
Z += 1
A += 1
isotone = gnd_name(Z, A, 0)
isotone = gnds_name(Z, A, 0)
if isotone in fpy_data:
return isotone
@ -231,7 +231,7 @@ def replace_missing_fpy(actinide, fpy_data, decay_data):
while isotone in decay_data:
Z -= 1
A -= 1
isotone = gnd_name(Z, A, 0)
isotone = gnds_name(Z, A, 0)
if isotone in fpy_data:
return isotone
@ -357,7 +357,7 @@ class Chain:
reactions = {}
for f in neutron_files:
evaluation = openmc.data.endf.Evaluation(f)
name = evaluation.gnd_name
name = evaluation.gnds_name
reactions[name] = {}
for mf, mt, nc, mod in evaluation.reaction_list:
if mf == 3:
@ -904,7 +904,7 @@ class Chain:
ground_target = grounds.get(parent_name)
if ground_target is None:
pz, pa, pm = zam(parent_name)
ground_target = gnd_name(pz, pa + 1, 0)
ground_target = gnds_name(pz, pa + 1, 0)
new_ratios[ground_target] = ground_br
parent.add_reaction(reaction, ground_target, rxn_Q, ground_br)

2
openmc/deplete/nuclide.py
View file

@ -82,7 +82,7 @@ class Nuclide:
Parameters
----------
name : str, optional
GND name of this nuclide, e.g. ``"He4"``, ``"Am242_m1"``
GNDS name of this nuclide, e.g. ``"He4"``, ``"Am242_m1"``
Attributes
----------

2
openmc/nuclide.py
View file

@ -26,7 +26,7 @@ class Nuclide(str):
if name.endswith('m'):
name = name[:-1] + '_m1'
msg = ('OpenMC nuclides follow the GND naming convention. '
msg = ('OpenMC nuclides follow the GNDS naming convention. '
f'Nuclide "{orig_name}" is being renamed as "{name}".')
warnings.warn(msg)

5
scripts/openmc-update-inputs
View file

@ -4,7 +4,6 @@
"""
import argparse
from difflib import get_close_matches
from itertools import chain
from random import randint
from shutil import move
@ -27,8 +26,8 @@ geometry.xml: Lattices containing 'outside' attributes/tags will be replaced
will be renamed 'region'.
materials.xml: Nuclide names will be changed from ACE aliases (e.g., Am-242m) to
HDF5/GND names (e.g., Am242_m1). Thermal scattering table names will be
changed from ACE aliases (e.g., HH2O) to HDF5/GND names (e.g., c_H_in_H2O).
HDF5/GNDS names (e.g., Am242_m1). Thermal scattering table names will be
changed from ACE aliases (e.g., HH2O) to HDF5/GNDS names (e.g., c_H_in_H2O).
"""

12
tests/unit_tests/test_data_misc.py
View file

@ -101,12 +101,12 @@ def test_water_density():
assert dens(500.0, 3.0) == pytest.approx(1e-3/0.120241800e-2, 1e-6)
def test_gnd_name():
assert openmc.data.gnd_name(1, 1) == 'H1'
assert openmc.data.gnd_name(40, 90) == ('Zr90')
assert openmc.data.gnd_name(95, 242, 0) == ('Am242')
assert openmc.data.gnd_name(95, 242, 1) == ('Am242_m1')
assert openmc.data.gnd_name(95, 242, 10) == ('Am242_m10')
def test_gnds_name():
assert openmc.data.gnds_name(1, 1) == 'H1'
assert openmc.data.gnds_name(40, 90) == ('Zr90')
assert openmc.data.gnds_name(95, 242, 0) == ('Am242')
assert openmc.data.gnds_name(95, 242, 1) == ('Am242_m1')
assert openmc.data.gnds_name(95, 242, 10) == ('Am242_m10')
def test_isotopes():