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Rename summed -> redundant to make ENDF language

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This commit is contained in:
Paul Romano 2018-09-13 07:18:47 -05:00
parent 9d335ec918
commit dfd7bb9437
10 changed files with 67 additions and 66 deletions
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1
docs/source/io_formats/nuclear_data.rst
View file

@ -44,6 +44,7 @@ temperature-dependent data set. For example, the data set corresponding to
- **center_of_mass** (*int*) -- Whether the reference frame for
scattering is center-of-mass (1) or laboratory (0)
- **n_product** (*int*) -- Number of reaction products
- **redundant** (*int*) -- Whether reaction is redundant
**/<nuclide name>/reactions/reaction_<mt>/<TTT>K/**

4
examples/jupyter/nuclear-data.ipynb
View file

@ -621,7 +621,7 @@
"cell_type": "markdown",
"metadata": {},
"source": [
"There is also `summed_reactions` attribute for cross sections (like total) which are built from summing up other cross sections."
"There is also `redundant_reactions` attribute for cross sections (like total) which are built from summing up other cross sections."
]
},
{
@ -640,7 +640,7 @@
}
],
"source": [
"pprint(list(gd157.summed_reactions.values()))"
"pprint(list(gd157.redundant_reactions.values()))"
]
},
{

4
include/openmc/reaction.h
View file

@ -34,7 +34,7 @@ public:
int mt_; //!< ENDF MT value
double q_value_; //!< Reaction Q value in [eV]
bool scatter_in_cm_; //!< scattering system in center-of-mass?
bool summed_; //!< summed reaction?
bool redundant_; //!< redundant reaction?
std::vector<TemperatureXS> xs_; //!< Cross section at each temperature
std::vector<ReactionProduct> products_; //!< Reaction products
};
@ -49,7 +49,7 @@ extern "C" {
int reaction_mt(Reaction* rx);
double reaction_q_value(Reaction* rx);
bool reaction_scatter_in_cm(Reaction* rx);
bool reaction_summed(Reaction* rx);
bool reaction_redundant(Reaction* rx);
double reaction_product_decay_rate(Reaction* rx, int product);
int reaction_product_emission_mode(Reaction* rx, int product);
int reaction_product_particle(Reaction* rx, int product);

2
openmc/data/function.py
View file

@ -502,7 +502,7 @@ class Sum(EqualityMixin):
"""Sum of multiple functions.
This class allows you to create a callable object which represents the sum
of other callable objects. This is used for summed reactions whereby the
of other callable objects. This is used for redundant reactions whereby the
cross section is defined as the sum of other cross sections.
Parameters

62
openmc/data/neutron.py
View file

@ -86,8 +86,8 @@ class IncidentNeutron(EqualityMixin):
Resonance parameters
resonance_covariance : openmc.data.ResonanceCovariance or None
Covariance for resonance parameters
summed_reactions : collections.OrderedDict
Contains summed cross sections, e.g., the total cross section. The keys
redundant_reactions : collections.OrderedDict
Contains redundant cross sections, e.g., the total cross section. The keys
are the MT values and the values are Reaction objects.
temperatures : list of str
List of string representations the temperatures of the target nuclide
@ -113,18 +113,18 @@ class IncidentNeutron(EqualityMixin):
self.energy = {}
self._fission_energy = None
self.reactions = OrderedDict()
self.summed_reactions = OrderedDict()
self.redundant_reactions = OrderedDict()
self._urr = {}
self._resonances = None
def __contains__(self, mt):
return mt in self.reactions or mt in self.summed_reactions
return mt in self.reactions or mt in self.redundant_reactions
def __getitem__(self, mt):
if mt in self.reactions:
return self.reactions[mt]
elif mt in self.summed_reactions:
return self.summed_reactions[mt]
elif mt in self.redundant_reactions:
return self.redundant_reactions[mt]
else:
raise KeyError('No reaction with MT={}.'.format(mt))
@ -171,8 +171,8 @@ class IncidentNeutron(EqualityMixin):
return self._resonance_covariance
@property
def summed_reactions(self):
return self._summed_reactions
def redundant_reactions(self):
return self._redundant_reactions
@property
def urr(self):
@ -237,10 +237,10 @@ class IncidentNeutron(EqualityMixin):
res_cov.ResonanceCovariances)
self._resonance_covariance = resonance_covariance
@summed_reactions.setter
def summed_reactions(self, summed_reactions):
cv.check_type('summed reactions', summed_reactions, Mapping)
self._summed_reactions = summed_reactions
@redundant_reactions.setter
def redundant_reactions(self, redundant_reactions):
cv.check_type('redundant reactions', redundant_reactions, Mapping)
self._redundant_reactions = redundant_reactions
@urr.setter
def urr(self, urr):
@ -287,8 +287,8 @@ class IncidentNeutron(EqualityMixin):
# Add energy grid
self.energy[strT] = data.energy[strT]
# Add normal and summed reactions
for mt in chain(data.reactions, data.summed_reactions):
# Add normal and redundant reactions
for mt in chain(data.reactions, data.redundant_reactions):
if mt in self:
self[mt].xs[strT] = data[mt].xs[strT]
else:
@ -392,7 +392,7 @@ class IncidentNeutron(EqualityMixin):
self[2].xs['0K'] = Tabulated1D(x, y)
def get_reaction_components(self, mt):
"""Determine what reactions make up summed reaction.
"""Determine what reactions make up redundant reaction.
Parameters
----------
@ -402,7 +402,7 @@ class IncidentNeutron(EqualityMixin):
Returns
-------
mts : list of int
ENDF MT numbers of reactions that make up the summed reaction and
ENDF MT numbers of reactions that make up the redundant reaction and
have cross sections provided.
"""
@ -480,8 +480,8 @@ class IncidentNeutron(EqualityMixin):
tgroup = g.create_group('total_nu')
rx.derived_products[0].to_hdf5(tgroup)
# Write summed reaction data only for reactions with photon production
for rx in self.summed_reactions.values():
# Write redundant reaction data only for reactions with photon production
for rx in self.redundant_reactions.values():
if any([p.particle == 'photon' for p in rx.products]):
rx_group = rxs_group.create_group('reaction_{:03}'.format(rx.mt))
rx.to_hdf5(rx_group)
@ -561,8 +561,8 @@ class IncidentNeutron(EqualityMixin):
for name, obj in sorted(rxs_group.items()):
if name.startswith('reaction_'):
rx = Reaction.from_hdf5(obj, data.energy)
if rx.summed:
data.summed_reactions[rx.mt] = rx
if rx.redundant:
data.redundant_reactions[rx.mt] = rx
else:
data.reactions[rx.mt] = rx
@ -571,13 +571,13 @@ class IncidentNeutron(EqualityMixin):
tgroup = group['total_nu']
rx.derived_products.append(Product.from_hdf5(tgroup))
# Build summed reactions. Start from the highest MT number because
# Build redundant reactions. Start from the highest MT number because
# high MTs never depend on lower MTs.
for mt_sum in sorted(SUM_RULES, reverse=True):
if mt_sum not in data:
rxs = [data[mt] for mt in SUM_RULES[mt_sum] if mt in data]
if len(rxs) > 0:
data.summed_reactions[mt_sum] = rx = Reaction(mt_sum)
data.redundant_reactions[mt_sum] = rx = Reaction(mt_sum)
if rx.mt == 18 and 'total_nu' in group:
tgroup = group['total_nu']
rx.derived_products.append(Product.from_hdf5(tgroup))
@ -650,17 +650,17 @@ class IncidentNeutron(EqualityMixin):
absorption_xs = ace.xss[ace.jxs[1] + 2 * n_energy:ace.jxs[1] +
3 * n_energy]
# Create summed reactions (total and absorption)
# Create redundant reactions (total and absorption)
total = Reaction(1)
total.xs[strT] = Tabulated1D(energy, total_xs)
total.summed = True
data.summed_reactions[1] = total
total.redundant = True
data.redundant_reactions[1] = total
if np.count_nonzero(absorption_xs) > 0:
absorption = Reaction(27)
absorption.xs[strT] = Tabulated1D(energy, absorption_xs)
absorption.summed = True
data.summed_reactions[27] = absorption
absorption.redundant = True
data.redundant_reactions[27] = absorption
# Read each reaction
n_reaction = ace.nxs[4] + 1
@ -686,7 +686,7 @@ class IncidentNeutron(EqualityMixin):
if mt == 18:
continue
# Create summed reaction with appropriate cross section
# Create redundant reaction with appropriate cross section
rx = Reaction(mt)
mts = data.get_reaction_components(mt)
if len(mts) == 0:
@ -699,11 +699,11 @@ class IncidentNeutron(EqualityMixin):
else 0 for xs in xss])
rx.xs[strT] = Tabulated1D(energy[idx:], Sum(xss)(energy[idx:]))
rx.xs[strT]._threshold_idx = idx
rx.summed = True
rx.redundant = True
# Determine summed cross section
# Determine redundant cross section
rx.products += _get_photon_products_ace(ace, rx)
data.summed_reactions[mt] = rx
data.redundant_reactions[mt] = rx
# Read unresolved resonance probability tables
urr = ProbabilityTables.from_ace(ace)

12
openmc/data/photon.py
View file

@ -372,8 +372,8 @@ class IncidentPhoton(EqualityMixin):
excitation energy), 's_collision' (collision stopping power in
[eV cm\ :sup:`2`/g]), and 's_radiative' (radiative stopping power in
[eV cm\ :sup:`2`/g])
summed_reactions : collections.OrderedDict
Contains summed cross sections. The keys are MT values and the values
redundant_reactions : collections.OrderedDict
Contains redundant cross sections. The keys are MT values and the values
are instances of :class:`PhotonReaction`.
"""
@ -382,19 +382,19 @@ class IncidentPhoton(EqualityMixin):
self.atomic_number = atomic_number
self._atomic_relaxation = None
self.reactions = OrderedDict()
self.summed_reactions = OrderedDict()
self.redundant_reactions = OrderedDict()
self.compton_profiles = {}
self.stopping_powers = {}
self.bremsstrahlung = {}
def __contains__(self, mt):
return mt in self.reactions or mt in self.summed_reactions
return mt in self.reactions or mt in self.redundant_reactions
def __getitem__(self, mt):
if mt in self.reactions:
return self.reactions[mt]
elif mt in self.summed_reactions:
return self.summed_reactions[mt]
elif mt in self.redundant_reactions:
return self.redundant_reactions[mt]
else:
raise KeyError('No reaction with MT={}.'.format(mt))

22
openmc/data/reaction.py
View file

@ -785,8 +785,8 @@ class Reaction(EqualityMixin):
Indicates whether scattering kinematics should be performed in the
center-of-mass or laboratory reference frame.
grid above the threshold value in barns.
summed : bool
Indicates whether or not this is a summed reactions
redundant : bool
Indicates whether or not this is a redundant reaction
mt : int
The ENDF MT number for this reaction.
q_value : float
@ -805,7 +805,7 @@ class Reaction(EqualityMixin):
def __init__(self, mt):
self._center_of_mass = True
self._summed = False
self._redundant = False
self._q_value = 0.
self._xs = {}
self._products = []
@ -824,8 +824,8 @@ class Reaction(EqualityMixin):
return self._center_of_mass
@property
def summed(self):
return self._summed
def redundant(self):
return self._redundant
@property
def q_value(self):
@ -848,10 +848,10 @@ class Reaction(EqualityMixin):
cv.check_type('center of mass', center_of_mass, (bool, np.bool_))
self._center_of_mass = center_of_mass
@summed.setter
def summed(self, summed):
cv.check_type('summed', summed, (bool, np.bool_))
self._summed = summed
@redundant.setter
def redundant(self, redundant):
cv.check_type('redundant', redundant, (bool, np.bool_))
self._redundant = redundant
@q_value.setter
def q_value(self, q_value):
@ -894,7 +894,7 @@ class Reaction(EqualityMixin):
group.attrs['label'] = np.string_(self.mt)
group.attrs['Q_value'] = self.q_value
group.attrs['center_of_mass'] = 1 if self.center_of_mass else 0
group.attrs['summed'] = 1 if self.summed else 0
group.attrs['redundant'] = 1 if self.redundant else 0
for T in self.xs:
Tgroup = group.create_group(T)
if self.xs[T] is not None:
@ -931,7 +931,7 @@ class Reaction(EqualityMixin):
rx = cls(mt)
rx.q_value = group.attrs['Q_value']
rx.center_of_mass = bool(group.attrs['center_of_mass'])
rx.summed = bool(group.attrs['summed'])
rx.redundant = bool(group.attrs['redundant'])
# Read cross section at each temperature
for T, Tgroup in group.items():

6
src/nuclide_header.F90
View file

@ -477,7 +477,7 @@ contains
MTs % data(i) /= N_NF .and. MTs % data(i) /= N_2NF .and. &
MTs % data(i) /= N_3NF .and. MTs % data(i) < 200 .and. &
MTs % data(i) /= N_LEVEL .and. MTs % data(i) /= ELASTIC .and. &
.not. this % reactions(i) % summed) then
.not. this % reactions(i) % redundant) then
call index_inelastic_scatter % push_back(i)
end if
@ -653,8 +653,8 @@ contains
if (rx % MT >= N_A0 .and. rx % MT <= N_AC .and. find(MTs, N_A) /= -1) cycle
if (rx % MT >= N_2N0 .and. rx % MT <= N_2NC .and. find(MTs, N_2N) /= -1) cycle
! Skip summed reactions, which are used for photon production
if (rx % summed) cycle
! Skip redundant reactions, which are used for photon production
if (rx % redundant) cycle
! Add contribution to total cross section
do k = j, j + n - 1

6
src/reaction.cpp
View file

@ -17,8 +17,8 @@ Reaction::Reaction(hid_t group, const std::vector<int>& temperatures)
int tmp;
read_attribute(group, "center_of_mass", tmp);
scatter_in_cm_ = (tmp == 1);
read_attribute(group, "summed", tmp);
summed_ = (tmp == 1);
read_attribute(group, "redundant", tmp);
redundant_ = (tmp == 1);
// Read cross section and threshold_idx data
for (auto t : temperatures) {
@ -87,7 +87,7 @@ double reaction_q_value(Reaction* rx) { return rx->q_value_; }
bool reaction_scatter_in_cm(Reaction* rx) { return rx->scatter_in_cm_; }
bool reaction_summed(Reaction* rx) { return rx->summed_; }
bool reaction_redundant(Reaction* rx) { return rx->redundant_; }
double reaction_product_decay_rate(Reaction* rx, int product)
{

14
src/reaction_header.F90
View file

@ -20,13 +20,13 @@ module reaction_header
integer(C_INT) :: MT ! ENDF MT value
real(C_DOUBLE) :: Q_value ! Reaction Q value
logical(C_BOOL) :: scatter_in_cm ! scattering system in center-of-mass?
logical(C_BOOL) :: summed ! summed reaction?
logical(C_BOOL) :: redundant ! redundant reaction?
contains
procedure :: from_hdf5
procedure :: mt_
procedure :: q_value_
procedure :: scatter_in_cm_
procedure :: summed_
procedure :: redundant_
procedure :: product_decay_rate
procedure :: product_emission_mode
procedure :: product_particle
@ -66,7 +66,7 @@ module reaction_header
logical(C_BOOL) :: b
end function
function reaction_summed(ptr) result(b) bind(C)
function reaction_redundant(ptr) result(b) bind(C)
import C_PTR, C_BOOL
type(C_PTR), value :: ptr
logical(C_BOOL) :: b
@ -167,7 +167,7 @@ contains
this % MT = reaction_mt(this % ptr)
this % Q_value = reaction_q_value(this % ptr)
this % scatter_in_cm = reaction_scatter_in_cm(this % ptr)
this % summed = reaction_summed(this % ptr)
this % redundant = reaction_redundant(this % ptr)
end subroutine from_hdf5
function mt_(this) result(mt)
@ -191,11 +191,11 @@ contains
cm = reaction_scatter_in_cm(this % ptr)
end function
function summed_(this) result(summed)
function redundant_(this) result(redundant)
class (Reaction), intent(in) :: this
logical(C_BOOL) :: summed
logical(C_BOOL) :: redundant
summed = reaction_summed(this % ptr)
redundant = reaction_redundant(this % ptr)
end function
pure function product_decay_rate(this, product) result(rate)