def toENDF6(self, baseMT, endfMFList, flags, targetInfo):
MF, MT, LP = 12, baseMT + int(self.label), 0
nGammas, gammaData, levelEnergy_eV = len(
self.gammas), [], self.energy.getValueAs('eV')
for gamma in self.gammas:
gammaData.append(gamma.toENDF6List())
LGp = len(gammaData[0])
for gamma in gammaData:
gamma[0] = levelEnergy_eV - gamma[0]
endfMFList[MF][MT] = [
endfFormatsModule.endfHeadLine(targetInfo['ZA'], targetInfo['mass'], 2,
LGp - 1, MT - baseMT, 0),
endfFormatsModule.endfHeadLine(levelEnergy_eV, 0., LP, 0,
LGp * nGammas, nGammas)
]
gammaData.sort(reverse=True)
endfMFList[MF][MT] += endfFormatsModule.endfNdDataList(gammaData)
endfMFList[MF][MT].append(endfFormatsModule.endfSENDLineNumber())
# Currently, assume all distributions are isotropic
endfMFList[14][MT] = [
endfFormatsModule.endfHeadLine(targetInfo['ZA'], targetInfo['mass'], 1,
0, nGammas, 0)
]
endfMFList[14][MT].append(endfFormatsModule.endfSENDLineNumber())
def toENDF6(self, flags={}, verbosityIndent=''):
endfMFList = {1: {451: []}, 7: {}}
targetInfo = {'ZA': self.MAT + 100, 'mass': self.mass}
MAT = self.MAT
NSUB, NVER = 12, 7 # 12: thermal scattering sub-library, 7: ENDF/B-VII
for subsection in (thermalScatteringModule.coherentElasticToken,
thermalScatteringModule.incoherentElasticToken,
thermalScatteringModule.incoherentInelasticToken):
if getattr(self, subsection) is not None:
getattr(self, subsection).toENDF6(endfMFList, flags, targetInfo,
verbosityIndent)
endfDoc = self.documentation.getLines()
docHeader = [
endfFormatsModule.endfHeadLine(targetInfo['ZA'], targetInfo['mass'],
-1, 0, 0, 0),
endfFormatsModule.endfHeadLine(0, 0, 0, 0, 0, 6), # ENDF-6
endfFormatsModule.endfHeadLine(1.0, self.emax.getValueAs('eV'), 1, 0,
NSUB, NVER),
endfFormatsModule.endfHeadLine(0.0, 0.0, 0, 0, len(endfDoc), 0)
]
endfMFList[1][451] = docHeader + endfDoc
return endfFormatsModule.endfMFListToFinalFile(endfMFList,
MAT,
lineNumbers=True)
def toENDF6(self, flags, targetInfo, verbosityIndent=''):
gridded = self.forms[0]
data = gridded.array.constructArray()
Tlist = list(gridded.axes[-1].grid) #FIXME what if grid units aren't 'K'?
Elist = list(gridded.axes[-2].grid) #FIXME "" 'eV'?
LT = len(Tlist) - 1
# first temperature includes the energy list:
endf = [
endfFormatsModule.endfHeadLine(Tlist[0], 0, LT, 0, 1, len(data[0]))
]
independentInterp = gndToENDF6.gndToENDFInterpolationFlag(
gridded.axes[1].interpolation)
dependentInterp = gndToENDF6.gndToENDFInterpolationFlag(
gridded.axes[2].interpolation)
endf += ['%11i%11i%44s' % (len(data[0]), independentInterp, '')
] # no trailing zeros
endf += endfFormatsModule.endfDataList(
list(itertools.chain(*zip(Elist, data[0]))))
# remaining temperatures:
for T, datList in zip(Tlist[1:], data[1:]):
endf += [
endfFormatsModule.endfHeadLine(T, 0, dependentInterp, 0,
len(datList), 0)
]
endf += endfFormatsModule.endfDataList(datList)
return endf
def toENDF6(self, flags, targetInfo, verbosityIndent=''):
NR = 1
NP = len(self)
endf = [endfFormatsModule.endfHeadLine(0, 0, 0, 0, NR, NP)]
interp = gndToENDF6.gndToENDFInterpolationFlag(self.interpolation)
endf += ['%11i%11i%44s' % (len(self), interp, '')]
endf += endfFormatsModule.endfDataList(
list(itertools.chain(*self.copyDataToXYs())))
return endf
def toENDF6(self, endfMFList, flags, targetInfo, verbosityIndent=''):
ZAM, AWT = targetInfo['ZA'], targetInfo['mass']
LTHR = 2
endf = [endfFormatsModule.endfHeadLine(ZAM, AWT, LTHR, 0, 0, 0)]
targetInfo[
'characteristicCrossSection'] = self.characteristicCrossSection.getValueAs(
'b')
endf += self.DebyeWaller.toENDF6(flags, targetInfo, verbosityIndent='')
del targetInfo['characteristicCrossSection']
endfMFList[7][2] = endf + [99999]
def toENDF6(self, endfMFList, flags, targetInfo, verbosityIndent=''):
ZAM, AWT = targetInfo['ZA'], targetInfo['mass']
LTHR, LAT, LASYM = 0, self.calculatedAtThermal, self.asymmetric
endf = [endfFormatsModule.endfHeadLine(ZAM, AWT, LTHR, LAT, LASYM, 0)]
# describe scattering atoms:
LLN, NS = 0, len(self.scatteringAtoms) - 1
NI = 6 * (NS + 1)
endf += [endfFormatsModule.endfHeadLine(0, 0, LLN, 0, NI, NS)]
# principal scattering atom:
atom = self.scatteringAtoms[0]
endf += [
endfFormatsModule.endfDataLine([
atom.freeAtomCrossSection.getValueAs('b'), atom.e_critical,
atom.mass,
atom.e_max.getValueAs('eV'), 0, atom.numberPerMolecule
])
]
for atom in self.scatteringAtoms[1:]:
a1 = {
'SCT': 0.0,
'free_gas': 1.0,
'diffusive_motion': 2.0
}[atom.functionalForm]
endf += [
endfFormatsModule.endfDataLine([
a1,
atom.freeAtomCrossSection.getValueAs('b'), atom.mass, 0, 0,
atom.numberPerMolecule
])
]
# convert data form: sort first by beta, then E, then T
gridded = self.S_alpha_beta.forms[0]
array = gridded.array.constructArray() # 3D numpy array
Tlist = list(gridded.axes[3].grid) # FIXME check grid units
betas = list(gridded.axes[2].grid)
alphas = list(gridded.axes[1].grid)
# switch array back to ENDF ordering: 1st beta, then T, then alpha:
array = array.transpose((1, 0, 2))
NR = 1
NB = len(betas)
endf += [endfFormatsModule.endfHeadLine(0, 0, 0, 0, NR, NB)]
#endf += endfFormatsModule.endfInterpolationList( (NB, 4) )
endf += [
'%11i%11i%44s' % (NB, 4, '')
] # FIXME add 'suppressTrailingZeros' option to endfInterpolationList
LT = len(Tlist) - 1
if LT:
T_interp = gndToENDF6.gndToENDFInterpolationFlag(
gridded.axes[3].interpolation)
else:
T_interp = None
beta_interp = gndToENDF6.gndToENDFInterpolationFlag(
gridded.axes[2].interpolation)
alpha_interp = gndToENDF6.gndToENDFInterpolationFlag(
gridded.axes[1].interpolation)
for index, beta in enumerate(betas):
data = array[index, :, :] # 2D sub-array for this beta
endf += [
endfFormatsModule.endfHeadLine(Tlist[0], beta, LT, 0, 1,
len(data[0]))
]
endf += ['%11i%11i%44s' % (len(alphas), alpha_interp, '')
] # no trailing zeros
# For each beta, the first temperature needs to include the energy list:
endf += endfFormatsModule.endfDataList(
list(itertools.chain(*zip(alphas, data[0]))))
# remaining temperatures:
for T, datList in zip(Tlist[1:], data[1:]):
endf += [
endfFormatsModule.endfHeadLine(T, beta, T_interp, 0,
len(datList), 0)
]
endf += endfFormatsModule.endfDataList(datList)
for atom in self.scatteringAtoms:
if atom.effectiveTemperature is not None:
endf += atom.effectiveTemperature.toENDF6(flags,
targetInfo,
verbosityIndent='')
endfMFList[7][4] = endf + [99999]
def toENDF6(self, endfMFList, flags, targetInfo, verbosityIndent=''):
ZAM, AWT = targetInfo['ZA'], targetInfo['mass']
LTHR = 1
endf = [endfFormatsModule.endfHeadLine(ZAM, AWT, LTHR, 0, 0, 0)]
endf += self.S_table.toENDF6(flags, targetInfo, verbosityIndent='')
endfMFList[7][2] = endf + [99999]
def toENDF6(self, endfMFList, flags, targetInfo, verbosityIndent=''):
ZAM, AWT = targetInfo['ZA'], targetInfo['mass']
NIS, ABN = 1, 1.0
ZAI = ZAM # assuming only one isotope per file
# get target spin from the particle list:
target = targetInfo['reactionSuite'].getParticle(
targetInfo['reactionSuite'].target.name)
targetInfo['spin'] = target.getSpin().value
endf = [endfFormatsModule.endfHeadLine(ZAM, AWT, 0, 0, NIS, 0)]
resolvedCount, unresolvedCount = 0, 0
# resolved may have multiple energy regions:
if self.resolved is not None:
resolvedCount = max(1, len(self.resolved.regions))
if self.unresolved is not None: unresolvedCount = 1
# resonances may only contain a scattering radius:
if not (resolvedCount + unresolvedCount) and self.scatteringRadius:
scatRadius = self.scatteringRadius.form
lowerBound, upperBound = scatRadius.bounds
endf.append(endfFormatsModule.endfHeadLine(ZAM, ABN, 0, 0, 1, 0))
endf.append(
endfFormatsModule.endfHeadLine(lowerBound.getValueAs('eV'),
upperBound.getValueAs('eV'), 0, 0,
0, 0))
AP = scatRadius.value.getValueAs('10*fm')
endf.append(
endfFormatsModule.endfHeadLine(targetInfo['spin'], AP, 0, 0, 0, 0))
endf.append(endfFormatsModule.endfSENDLineNumber())
endfMFList[2][151] = endf
return
# For now I'm storing the LRF/LFW flags in xml, since they are tricky to compute
# LFW is a pain: only applies to unresolved, but must be written at the start of MF2
LRFurr, LFW = 0, 0
if unresolvedCount != 0:
LRF_LFW = self.unresolved.evaluated.ENDFconversionFlag
LRFurr, LFW = map(int, LRF_LFW.split('=')[-1].split(','))
NER = resolvedCount + unresolvedCount
endf.append(endfFormatsModule.endfHeadLine(ZAI, ABN, 0, LFW, NER, 0))
for idx in range(resolvedCount):
if resolvedCount == 1: region = self.resolved
else: region = self.resolved.regions[idx]
LRU = 1 #resolved
LRF = {
resonancesModule.SLBW.moniker: 1,
resonancesModule.MLBW.moniker: 2,
resonancesModule.RM.moniker: 3,
resonancesModule.RMatrix.moniker: 7
}[region.evaluated.moniker]
EL, EH = region.lowerBound.getValueAs(
'eV'), region.upperBound.getValueAs('eV')
if LRF == 7: NRO = 0
else: NRO = region.evaluated.scatteringRadius.isEnergyDependent()
NAPS = not (region.evaluated.calculateChannelRadius)
endf.append(endfFormatsModule.endfHeadLine(EL, EH, LRU, LRF, NRO,
NAPS))
endf += region.evaluated.toENDF6(flags, targetInfo, verbosityIndent)
if unresolvedCount != 0:
LRU = 2 #unresolved
region = self.unresolved
EL, EH = region.lowerBound.getValueAs(
'eV'), region.upperBound.getValueAs('eV')
NRO, NAPS = 0, 0
if region.evaluated.scatteringRadius.isEnergyDependent(): NRO = 1
endf.append(
endfFormatsModule.endfHeadLine(EL, EH, LRU, LRFurr, NRO, NAPS))
# pass LFW/LRF so we don't have to calculate twice:
targetInfo['unresolved_LFW'] = LFW
targetInfo['unresolved_LRF'] = LRFurr
targetInfo['regionEnergyBounds'] = (region.lowerBound,
region.upperBound)
endf += region.evaluated.toENDF6(flags, targetInfo, verbosityIndent)
endf.append(endfFormatsModule.endfSENDLineNumber())
endfMFList[2][151] = endf
def toENDF6(self, flags, targetInfo, verbosityIndent=''):
endf = []
AP = self.scatteringRadius
if AP.isEnergyDependent():
scatRadius = AP.form
NR, NP = 1, len(scatRadius)
endf.append(endfFormatsModule.endfHeadLine(0, 0, 0, 0, NR, NP))
endf += endfFormatsModule.endfInterpolationList(
(NP,
gndToENDF6.gndToENDFInterpolationFlag(scatRadius.interpolation)))
endf += endfFormatsModule.endfNdDataList(
scatRadius.convertAxisToUnit(0, '10*fm'))
AP = 0
else:
AP = AP.getValueAs('10*fm')
NLS = len(self.L_values)
LFW = targetInfo['unresolved_LFW']
LRF = targetInfo['unresolved_LRF']
def v(val): # get value back from PhysicalQuantityWithUncertainty
if type(val) == type(None): return
return val.getValueAs('eV')
if LFW == 0 and LRF == 1: # 'Case A' from ENDF 2010 manual pg 70
endf.append(
endfFormatsModule.endfHeadLine(targetInfo['spin'], AP,
self.forSelfShieldingOnly, 0, NLS,
0))
for Lval in self.L_values:
NJS = len(Lval.J_values)
endf.append(
endfFormatsModule.endfHeadLine(targetInfo['mass'], 0, Lval.L,
0, 6 * NJS, NJS))
for Jval in Lval.J_values:
# here we only have one width per J:
ave = Jval.constantWidths
endf.append(
endfFormatsModule.endfDataLine([
v(ave.levelSpacing), Jval.J.value, Jval.neutronDOF,
v(ave.neutronWidth),
v(ave.captureWidth), 0
]))
elif LFW == 1 and LRF == 1: # 'Case B'
energies = self.L_values[0].J_values[
0].energyDependentWidths.getColumn('energy', units='eV')
NE = len(energies)
endf.append(
endfFormatsModule.endfHeadLine(targetInfo['spin'], AP,
self.forSelfShieldingOnly, 0, NE,
NLS))
nlines = int(math.ceil(NE / 6.0))
for line in range(nlines):
endf.append(
endfFormatsModule.endfDataLine(energies[line * 6:line * 6 +
6]))
for Lval in self.L_values:
NJS = len(Lval.J_values)
endf.append(
endfFormatsModule.endfHeadLine(targetInfo['mass'], 0, Lval.L,
0, NJS, 0))
for Jval in Lval.J_values:
cw = Jval.constantWidths
endf.append(
endfFormatsModule.endfHeadLine(0, 0, Lval.L,
Jval.fissionDOF, NE + 6, 0))
endf.append(
endfFormatsModule.endfDataLine([
v(cw.levelSpacing), Jval.J.value, Jval.neutronDOF,
v(cw.neutronWidth),
v(cw.captureWidth), 0
]))
fissWidths = Jval.energyDependentWidths.getColumn(
'fissionWidthA', units='eV')
for line in range(nlines):
endf.append(
endfFormatsModule.endfDataLine(
fissWidths[line * 6:line * 6 + 6]))
elif LRF == 2: # 'Case C', most common in ENDF
endf.append(
endfFormatsModule.endfHeadLine(targetInfo['spin'], AP,
self.forSelfShieldingOnly, 0, NLS,
0))
INT = gndToENDF6.gndToENDFInterpolationFlag(self.interpolation)
for Lval in self.L_values:
NJS = len(Lval.J_values)
endf.append(
endfFormatsModule.endfHeadLine(targetInfo['mass'], 0, Lval.L,
0, NJS, 0))
for Jval in Lval.J_values:
NE = len(Jval.energyDependentWidths)
useConstant = not NE
if useConstant: NE = 2
endf.append(
endfFormatsModule.endfHeadLine(Jval.J.value, 0, INT, 0,
6 * NE + 6, NE))
endf.append(
endfFormatsModule.endfDataLine([
0, 0, Jval.competitiveDOF, Jval.neutronDOF,
Jval.gammaDOF, Jval.fissionDOF
]))
cws = Jval.constantWidths
if useConstant:
# widths are all stored in 'constantWidths' instead. get energies from parent class
NE = 2
useConstant = True
eLow, eHigh = targetInfo['regionEnergyBounds']
for e in (eLow, eHigh):
endf.append(
endfFormatsModule.endfDataLine([
v(e),
v(cws.levelSpacing),
v(cws.competitiveWidth),
v(cws.neutronWidth),
v(cws.captureWidth),
v(cws.fissionWidthA)
]))
else:
table = [
Jval.energyDependentWidths.getColumn('energy',
units='eV')
]
for attr in ('levelSpacing', 'competitiveWidth',
'neutronWidth', 'captureWidth',
'fissionWidthA'):
# find each attribute, in energy-dependent or constant width section
column = (Jval.energyDependentWidths.getColumn(
attr, units='eV') or [v(getattr(cws, attr))] * NE)
if not any(column): column = [0] * NE
table.append(column)
for row in zip(*table):
endf.append(endfFormatsModule.endfDataLine(row))
return endf
def toENDF6(self, flags, targetInfo, verbosityIndent=''):
KRM = {
'SLBW': 1,
'MLBW': 2,
'Reich_Moore': 3,
'Full R-Matrix': 4
}[self.approximation]
endf = [
endfFormatsModule.endfHeadLine(0, 0, self.reducedWidthAmplitudes, KRM,
len(self.spinGroups),
self.relativisticKinematics)
]
# first describe all the particle pairs (two-body output channels)
NPP = len(self.channels)
endf.append(endfFormatsModule.endfHeadLine(0, 0, NPP, 0, 12 * NPP,
2 * NPP))
def getENDFtuple(spin, parity):
# ENDF combines spin & parity UNLESS spin==0. Then it wants (0,+/-1)
if spin.value: return (spin.value * parity.value, 0)
else: return (spin.value, parity.value)
def MZIP(p): # helper: extract mass, z, spin and parity from particle list
#mass = p.getMass( 'amu' ) / targetInfo['reactionSuite'].getParticle( 'n' ).getMass( 'amu' )
try:
nMass = targetInfo['reactionSuite'].getParticle('n').getMass('amu')
except:
nMass = 1.00866491578 # From ENDF102 manual, Appendix H.4
mass = p.getMass('amu') / nMass
Z = p.getZ_A_SuffixAndZA()[0]
I, P = getENDFtuple(p.getSpin(), p.getParity())
return mass, Z, I, P
for pp in self.channels:
pA, pB = pp.name.split(' + ')
# get the xParticle instances for pA and pB:
pA, pB = targetInfo['reactionSuite'].getParticle(
pA), targetInfo['reactionSuite'].getParticle(pB)
MA, ZA, IA, PA = MZIP(pA)
MB, ZB, IB, PB = MZIP(pB)
MT = pp.ENDF_MT
PNT = pp.calculatePenetrability
if PNT is None: PNT = self.calculatePenetrability
SHF = pp.calculateShift
if SHF is None: SHF = self.calculateShift
if MT in (19, 102): PNT = 0 # special case
try:
Q = pp.Q.inUnitsOf('eV').value
except:
Q = targetInfo['reactionSuite'].getReaction(pp.channel).getQ('eV')
# getQ doesn't account for residual left in excited state:
for particle in targetInfo['reactionSuite'].getReaction(
pp.channel).outputChannel.particles:
if (hasattr(particle, 'getLevelAsFloat')):
Q -= particle.getLevelAsFloat('eV')
if MT == 102: Q = 0
endf.append(endfFormatsModule.endfDataLine([MA, MB, ZA, ZB, IA, IB]))
endf.append(endfFormatsModule.endfDataLine([Q, PNT, SHF, MT, PA, PB]))
for spingrp in self.spinGroups:
AJ, PJ = getENDFtuple(spingrp.spin, spingrp.parity)
KBK = spingrp.background
KPS = spingrp.applyPhaseShift
NCH = len(spingrp.resonanceParameters.table.columns
) - 1 # skip the 'energy' column
endf.append(
endfFormatsModule.endfHeadLine(AJ, PJ, KBK, KPS, 6 * NCH, NCH))
for chan in spingrp.resonanceParameters.table.columns:
# which open channel does it correspond to?
if chan.name == 'energy': continue
name = chan.name.split(' width')[0]
PPI, openChannel = [
ch for ch in enumerate(self.channels) if ch[-1].name == name
][0]
PPI += 1 # 1-based index in ENDF
attr = chan.attributes
L = attr['L']
SCH = attr['channelSpin']
# some data may have been moved up to the channel list:
BND = float(
attr.get('boundaryCondition') or self.boundaryCondition)
channelOverride = resonancesModule.channelOverride(
openChannel.label)
if openChannel.label in spingrp.overrides:
channelOverride = spingrp.overrides[openChannel.label]
APT = channelOverride.scatteringRadius or openChannel.scatteringRadius or PQUModule.PQU(
0, 'fm')
APE = channelOverride.effectiveRadius or openChannel.effectiveRadius or APT
APT = APT.getValueAs('10*fm')
APE = APE.getValueAs('10*fm')
if openChannel.ENDF_MT == 102:
APT, APE = 0, 0
endf.append(
endfFormatsModule.endfDataLine([PPI, L, SCH, BND, APE, APT]))
# resonances:
NRS = len(spingrp.resonanceParameters.table)
NX = (NCH // 6 + 1) * NRS
if NRS == 0: NX = 1 # special case
endf.append(endfFormatsModule.endfHeadLine(0, 0, 0, NRS, 6 * NX, NX))
for res in spingrp.resonanceParameters.table:
#resproperties = [res.energy.inUnitsOf('eV').value] + [
# w.inUnitsOf('eV').value for w in res.widths]
for jidx in range(NCH // 6 + 1):
endfLine = res[jidx * 6:jidx * 6 + 6]
while len(endfLine) < 6:
endfLine.append(0)
endf.append(endfFormatsModule.endfDataLine(endfLine))
if NRS == 0:
endf.append(endfFormatsModule.endfDataLine([0, 0, 0, 0, 0, 0]))
return endf
def toENDF6(self, flags, targetInfo, verbosityIndent=''):
endf = []
AP = getattr(self, 'scatteringRadius')
if AP.isEnergyDependent():
scatRadius = AP.form
NR, NP = 1, len(scatRadius)
endf.append(endfFormatsModule.endfHeadLine(0, 0, 0, 0, NR, NP))
endf += endfFormatsModule.endfInterpolationList(
(NP,
gndToENDF6.gndToENDFInterpolationFlag(scatRadius.interpolation)))
endf += endfFormatsModule.endfNdDataList(
scatRadius.convertAxisToUnit(0, '10*fm'))
AP = 0
else:
AP = self.scatteringRadius.getValueAs('10*fm')
L_list = self.resonanceParameters.table.getColumn('L')
NLS = len(set(L_list))
LAD = getattr(self, 'computeAngularDistribution') or 0
NLSC = getattr(self, 'LvaluesNeededForConvergence') or 0
endf += [
endfFormatsModule.endfHeadLine(targetInfo['spin'], AP, LAD, 0, NLS,
NLSC)
]
table = [
self.resonanceParameters.table.getColumn('energy', units='eV'),
self.resonanceParameters.table.getColumn('J')
]
NE = len(table[0])
if isinstance(self, (resonancesModule.SLBW, resonancesModule.MLBW)):
attrList = ('totalWidth', 'neutronWidth', 'captureWidth',
'fissionWidthA')
elif isinstance(self, resonancesModule.RM):
attrList = ('neutronWidth', 'captureWidth', 'fissionWidthA',
'fissionWidthB')
for attr in attrList:
column = self.resonanceParameters.table.getColumn(attr, units='eV')
if not column: column = [0] * NE
table.append(column)
CS = self.resonanceParameters.table.getColumn('channelSpin')
if CS is not None: # ENDF hack: J<0 -> use lower available channel spin
targetSpin = targetInfo['spin']
CS = [2 * (cs - targetSpin) for cs in CS]
Js = [v[0] * v[1] for v in zip(table[1], CS)]
table[1] = Js
table = zip(*table)
for L in set(L_list):
APL = 0
if self.scatteringRadius.isLdependent(
) and L in self.scatteringRadius.form.lvals:
APL = self.scatteringRadius.getValueAs('10*fm', L=L)
resonances = [table[i] for i in range(NE) if L_list[i] == L]
NRS = len(resonances)
endf.append(
endfFormatsModule.endfHeadLine(targetInfo['mass'], APL, L, 0,
6 * NRS, NRS))
for row in resonances:
endf.append(endfFormatsModule.endfDataLine(row))
return endf
def toENDF6( self, style, flags, verbosityIndent = '', covarianceSuite = None ) :
evaluatedStyle = self.styles.getEvaluatedStyle( )
if( evaluatedStyle is None ) : raise ValueError( 'no evaluation style found' )
if( flags['verbosity'] >= 10 ) : print '%s%s' % ( verbosityIndent, self.inputParticlesToReactionString( suffix = " -->" ) )
verbosityIndent2 = verbosityIndent + ' ' * ( len( self.inputParticlesToReactionString( suffix = " -->" ) ) + 1 )
projectile, target = self.projectile, self.target
projectileZA = projectile.getZ_A_SuffixAndZA( )[-1]
IPART = projectileZA
if( projectile.name == 'e-' ) : IPART = 11
targetZA, MAT = endf_endl.ZAAndMATFromParticleName( target.name )
targetZ, targetA = divmod( targetZA, 1000 )
targetInfo = processingInfoModule.tempInfo( )
targetInfo['style'] = style
targetInfo['reactionSuite'] = self
targetInfo['ZA'] = targetZA
if( self.particles.hasID( 'n' ) ) : # Need neutron mass in eV/c**2, but it may not be in the particle list.
targetInfo['neutronMass'] = self.getParticle( 'n' ).getMass( 'eV/c**2' )
else :
neutronAmu = masses.getMassFromZA( 1 )
targetInfo['neutronMass'] = PQU.PQU( neutronAmu, 'amu' ).getValueAs('eV/c**2')
if( isinstance( target, fudge.gnd.xParticle.element ) ) :
targetInfo['mass'] = elementalMass[targetZA]
else :
targetInfo['mass'] = target.getMass( 'eV/c**2' ) / targetInfo['neutronMass']
try :
targetInfo['LIS'] = target['levelIndex']
except :
targetInfo['LIS'] = 0
targetInfo['metastables'] = []
targetInfo['LISO'] = 0
for key, alias in self.aliases.items( ) :
if( alias.hasAttribute( 'nuclearMetaStable' ) ) :
targetInfo['metastables'].append( alias.getValue() )
if( alias.getValue() == target.name ) :
targetInfo['LISO'] = int( alias.getAttribute( 'nuclearMetaStable' ) )
MAT += targetInfo['LISO']
if( self.MAT is not None ) : MAT = self.MAT
ITYPE = 0 # Other ITYPE sublibraries not yet supported. BRB is this still true
for reaction in self.reactions :
if( 500 <= reaction.ENDF_MT < 573 ) : ITYPE = 3
targetInfo['crossSectionMF'] = { 0 : 3, 3 : 23 }[ITYPE]
targetInfo['delayedRates'] = []
targetInfo['totalDelayedNubar'] = None
targetInfo['MTs'], targetInfo['MF8'], targetInfo['LRs'] = {}, {}, {}
endfMFList = { 1 : { 451 : [] }, 2 : {}, 3 : {}, 4 : {}, 5 : {}, 6 : {}, 8 : {}, 9 : {}, 10 : {}, 12 : {}, 13 : {},
14 : {}, 15 : {}, 23 : {}, 26 : {}, 27 : {}, 31 : {}, 32 : {}, 33 : {}, 34 : {}, 35 : {}, 40 : {} }
if( self.resonances is not None ) : # Add resonances, independent of reaction channels
self.resonances.toENDF6( endfMFList, flags, targetInfo, verbosityIndent=verbosityIndent2 )
targetInfo['production_gammas'] = {}
for reaction in self :
reaction.toENDF6( endfMFList, flags, targetInfo, verbosityIndent = verbosityIndent2 )
gndToENDF6Module.upDateENDFMF8Data( endfMFList, targetInfo )
for MT, production_gammas in targetInfo['production_gammas'].items( ) :
MF, production_gammas = production_gammas[0], production_gammas[1:]
for productionReaction in production_gammas :
gammas = [ gamma for gamma in productionReaction.outputChannel ]
targetInfo['crossSection'] = productionReaction.crossSection[targetInfo['style']]
gndToENDF6Module.gammasToENDF6_MF12_13( MT, MF, endfMFList, flags, targetInfo, gammas )
for particle in self.particles : # gamma decay data.
if( isinstance( particle, fudge.gnd.xParticle.isotope ) ) :
for level in particle :
if( level.gammas ) : # non-empty gamma information
for baseMT in [ 50, 600, 650, 700, 750, 800 ] :
residualZA = endf_endl.ENDF_MTZAEquation( projectileZA, targetZA, baseMT )[0][-1]
if( nuclear.nucleusNameFromZA( residualZA ) == particle.name ) : break
level.toENDF6( baseMT, endfMFList, flags, targetInfo )
MFs = sorted( endfMFList.keys( ) )
endfList = []
totalNubar = None
totalDelayedNubar = targetInfo['totalDelayedNubar']
if( 455 in endfMFList[5] ) :
MF5MT455s = endfMFList[5][455]
endfMFList[1][455] = [ endfFormatsModule.endfHeadLine( targetZA, targetInfo['mass'], 0, 2, 0, 0 ) ] # Currently, only LDG = 0, LNU = 2 is supported.
endfMFList[1][455] += [ endfFormatsModule.endfHeadLine( 0, 0, 0, 0, len( targetInfo['delayedRates'] ), 0 ) ]
endfMFList[1][455] += endfFormatsModule.endfDataList( targetInfo['delayedRates'] )
multiplicityModule.fissionNeutronsToENDF6( 455, totalDelayedNubar, endfMFList, flags, targetInfo )
MF5MT455List = [ endfFormatsModule.endfHeadLine( targetZA, targetInfo['mass'], 0, 0, len( MF5MT455s ), 0 ) ]
for MF5MT455 in MF5MT455s : MF5MT455List += MF5MT455
if( len( MF5MT455s ) == 0 ) :
del endfMFList[5][455]
else :
endfMFList[5][455] = MF5MT455List + [ endfFormatsModule.endfSENDLineNumber( ) ]
if( 'promptNubar' in targetInfo.dict ) :
promptNubar = targetInfo['promptNubar']
multiplicityModule.fissionNeutronsToENDF6( 456, promptNubar, endfMFList, flags, targetInfo )
totalNubar = promptNubar
try :
if( not( totalDelayedNubar is None ) ) : totalNubar = totalNubar + totalDelayedNubar
except : # The following is a kludge for some "bad" data.
if( ( totalNubar.domainMax( unitTo = 'MeV' ) == 30. ) and
( totalDelayedNubar.domainMax( unitTo = 'MeV' ) == 20. ) ) :
totalDelayedNubar[-1] = [ totalNubar.domainMax( ), totalDelayedNubar.getValue( totalDelayedNubar.domainMax( ) ) ]
totalNubar = totalNubar + totalDelayedNubar
elif( 'totalNubar' in targetInfo.dict ) :
totalNubar = targetInfo['totalNubar']
if( totalNubar is not None ) :
multiplicityModule.fissionNeutronsToENDF6( 452, totalNubar, endfMFList, flags, targetInfo )
if( covarianceSuite ) : covarianceSuite.toENDF6( endfMFList, flags, targetInfo )
endfDoc = self.documentation.get( 'endfDoc' )
if( endfDoc is None ) :
docHeader2 = [ ' %2d-%-2s-%3d LLNL EVAL-OCT03 Unknown' % ( targetZ, fudge.particles.nuclear.elementSymbolFromZ( targetZ ), targetA ),
' DIST-DEC99 19990101 ',
'----ENDL MATERIAL %4d' % MAT,
'-----INCIDENT %s DATA' %
{ 1 : 'NEUTRON', 1001 : 'PROTON', 1002 : 'DEUTERON', 1003 : 'TRITON', 2003 : 'HELION', 2004 : 'ALPHA' }[projectileZA],
'------ENDF-6 FORMAT' ]
endfDoc = [ 'LLNL ENDL file translated to ENDF6 by FUDGE.', '' ' ************************ C O N T E N T S ***********************' ]
else :
docHeader2 = []
endfDoc = endfDoc.getLines( )
# update the documentation, including metadata on first 4 lines:
try :
self.getReaction( 'fission' )
LFI = True
except KeyError :
LFI = False
LRP = -1
if( self.resonances is not None ) :
if( self.resonances.scatteringRadius ) :
LRP = 0
elif( self.resonances.reconstructCrossSection ) :
LRP = 1
elif( self.resonances.unresolved and not( self.resonances.resolved )
and self.resonances.unresolved.tabulatedWidths.forSelfShieldingOnly ) :
LRP = 1
else :
LRP = 2
EMAX = max( [ reaction.crossSection.domainMax( unitTo = 'eV' ) for reaction in self.reactions ] )
temperature = self.styles[style].temperature.getValueAs( 'K' )
library = evaluatedStyle.library
version = evaluatedStyle.version
if( library == 'ENDL' ) : # Additional ENDF meta-data. If the library is unknown, use NLIB = -1
NVER, LREL, NMOD = 1, 1, 1
NLIB = -1
else :
NVER, LREL, NMOD = map( int, version.split( '.' ) ) # Version stored as '7.2.1'
NLIB = { "ENDF/B" : 0, "ENDF/A" : 1, "JEFF" : 2, "EFF" : 3, "ENDF/B (HE)" : 4,
"CENDL" : 5, "JENDL" : 6, "SG-23" : 21, "INDL/V" : 31, "INDL/A" : 32,
"FENDL" : 33, "IRDF" : 34, "BROND (IAEA version)" : 35, "INGDB-90" : 36, "FENDL/A" : 37,
"BROND" : 41 }.get( library, -1 )
NFOR = 6 # ENDF-6 format
NSUB = 10 * IPART + ITYPE
LDRV = 0
STA = 0
if( isinstance( self.target, fudge.gnd.xParticle.nuclearLevel ) or self.target.attributes.get( 'unstable' ) ) : STA = 1
if( targetInfo['LISO'] ) : STA = 1
levelIndex, level_eV = 0, 0.
if( hasattr( self.target, 'getLevelIndex' ) ) : levelIndex, level_eV = self.target.getLevelIndex( ), self.target.getLevelAsFloat( 'eV' )
docHeader = [ endfFormatsModule.endfHeadLine( targetZA, targetInfo['mass'], LRP, LFI, NLIB, NMOD ),
endfFormatsModule.endfHeadLine( level_eV, STA, levelIndex, targetInfo['LISO'], 0, NFOR ),
endfFormatsModule.endfHeadLine( self.projectile.getMass( 'eV/c**2' ) / targetInfo['neutronMass'], EMAX, LREL, 0, NSUB, NVER ),
endfFormatsModule.endfHeadLine( temperature, 0, LDRV, 0, len( endfDoc ), -1 ) ]
new_doc = fudge.gnd.documentation.documentation( 'endf', '\n'.join( docHeader + docHeader2 + endfDoc ) )
endfMFList[1][451] += endfFormatsModule.toEndfStringList( new_doc )
return( endfFormatsModule.endfMFListToFinalFile( endfMFList, MAT, lineNumbers = True ) )
def upDateENDF_MT_MF8Data(MT, endfMFList, targetInfo):
reactionSuite = targetInfo['reactionSuite']
MF8Channels = targetInfo['MF8'][MT]
ZA, mass = targetInfo['ZA'], targetInfo['mass']
LIS, LISO, NO, NS = targetInfo['LIS'], targetInfo['LISO'], 1, len(
MF8Channels)
firstReaction = MF8Channels[0]
residual = firstReaction.outputChannel[0]
crossSection_ = firstReaction.crossSection[
targetInfo['style']] # LMF determines which MF section to write to.
if (isinstance(crossSection_, crossSectionModule.reference)):
multiplicity = residual.multiplicity[targetInfo['style']]
if (isinstance(multiplicity, multiplicityModule.constant1d)):
LMF = 3
elif (isinstance(multiplicity, multiplicityModule.reference)):
LMF = 6
else:
LMF = 9
else:
LMF = 10
level = 0
if (hasattr(residual, 'getLevelAsFloat')):
level = residual.getLevelAsFloat('eV')
endfMFList[8][MT] = [
endfFormatsModule.endfHeadLine(ZA, mass, LIS, LISO, NS, NO)
]
if (LMF not in [3, 6]):
endfMFList[LMF][MT] = [
endfFormatsModule.endfHeadLine(ZA, mass, LIS, 0, NS, 0)
]
for reaction in MF8Channels:
outputChannel = reaction.outputChannel
if (len(outputChannel) != 1):
raise Exception(
'Currently, production channel can only have one product; not %d'
% len(outputChannel))
product = outputChannel[0]
particle = reactionSuite.PoPs[product.id]
ZAP = miscPoPsModule.ZA(particle)
QI = outputChannel.getConstantQAs('eV', final=True)
LFS2, level2 = 0, 0
if (isinstance(particle, nuclearLevelModule.particle)):
LFS2 = particle.intIndex
level2 = particle.energy[0].float('eV')
QM = QI + level2
endfMFList[8][MT].append(
endfFormatsModule.endfHeadLine(ZAP, level2, LMF, LFS2, 0, 0))
if (
LMF == 9
): # Currenty, multiplicity.toENDF6List only has one interpolation and its linear.
multiplicity = product.multiplicity[targetInfo['style']]
interpolationFlatData, nPoints, multiplicityList = multiplicity.toENDF6List(
targetInfo)
endfMFList[LMF][MT].append(
endfFormatsModule.endfHeadLine(QM, QI, ZAP, LFS2,
len(interpolationFlatData) / 2,
nPoints))
endfMFList[LMF][MT] += endfFormatsModule.endfInterpolationList(
interpolationFlatData)
endfMFList[LMF][MT] += multiplicityList
elif (LMF == 10):
interpolationFlatData, flatData = reaction.crossSection[
targetInfo['style']].toENDF6Data(MT, endfMFList, targetInfo,
level2)
endfMFList[LMF][MT].append(
endfFormatsModule.endfHeadLine(QM, QI, ZAP, LFS2,
len(interpolationFlatData) / 2,
len(flatData) / 2))
endfMFList[LMF][MT] += endfFormatsModule.endfInterpolationList(
interpolationFlatData)
endfMFList[LMF][MT] += endfFormatsModule.endfDataList(flatData)
endfMFList[8][MT].append(endfFormatsModule.endfSENDLineNumber())
if (LMF not in [3, 6]):
endfMFList[LMF][MT].append(endfFormatsModule.endfSENDLineNumber())