def addParticleData(particle, info, massValue, spinValue, parityValue,
chargeValue, halflifeValue):
if (massValue is not None):
mass = massModule.double(info.PoPsLabel, massValue,
quantityModule.stringToPhysicalUnit('amu'))
particle.mass.add(mass)
if (spinValue is not None):
spin = spinModule.fraction(info.PoPsLabel,
fractions.Fraction(spinValue),
spinModule.baseUnit)
particle.spin.add(spin)
if (parityValue is not None):
parity = parityModule.integer(info.PoPsLabel, parityValue,
parityModule.baseUnit)
particle.parity.add(parity)
if (chargeValue is not None):
charge = chargeModule.integer(info.PoPsLabel, chargeValue,
chargeModule.baseUnit)
particle.charge.add(charge)
if (halflifeValue is not None):
if (isinstance(halflifeValue, str)):
halflife = halflifeModule.string(info.PoPsLabel, halflifeValue,
halflifeModule.baseUnit)
else:
halflife = halflifeModule.double(info.PoPsLabel, halflifeValue,
halflifeModule.baseUnit)
particle.halflife.add(halflife)
def nuclides(Z, A, data):
symbol = chemicalElementMiscModule.symbolFromZ[Z]
isotopeID = chemicalElementMiscModule.isotopeSymbolFromChemicalElementIDAndA(
symbol, A)
keys = random.sample([key for key in data], len(data))
for index in keys:
name = chemicalElementMiscModule.nuclideIDFromIsotopeSymbolAndIndex(
isotopeID, index)
nameLower = name[:1].lower() + name[1:]
level = nuclideModule.particle(name)
nucleus = level.nucleus
atomicMass, nuclearMass, energy, charge, halflife, spin, parity = data[
index]
energy = nuclearEnergyLevelModule.double(
'base', energy, quantityModule.stringToPhysicalUnit('keV'))
level.energy.add(energy)
if (atomicMass is not None):
mass = massModule.double(
'base', atomicMass, quantityModule.stringToPhysicalUnit('amu'))
level.mass.add(mass)
if (nuclearMass is not None):
mass = massModule.double(
'base', nuclearMass,
quantityModule.stringToPhysicalUnit('amu'))
nucleus.mass.add(mass)
if (charge is not None):
charge = chargeModule.integer(
'base', charge, quantityModule.stringToPhysicalUnit('e'))
nucleus.charge.add(charge)
if (halflife is not None):
if (halflife == 'stable'):
halflife = halflifeModule.string(
'base', halflife, quantityModule.stringToPhysicalUnit('s'))
else:
time, unit = halflife.split()
halflife = halflifeModule.double(
'base', float(time),
quantityModule.stringToPhysicalUnit(unit))
nucleus.halflife.add(halflife)
if (spin is not None):
spin = spinModule.fraction(
'base', spinModule.fraction.toValueType(spin),
quantityModule.stringToPhysicalUnit('hbar'))
nucleus.spin.add(spin)
if (parity is not None):
parity = parityModule.integer(
'base', parity, quantityModule.stringToPhysicalUnit(''))
nucleus.parity.add(parity)
database.add(level)
suite = halflifeModule.suite()
suite.add(h1)
print suite.toXML()
suite2 = suite.parseXMLStringAsClass(suite.toXML())
if (suite2.toXML() != suite.toXML()): raise Exception('Fix me')
print
print h1.pqu()
print suite[0].pqu()
print suite[0].pqu('s')
print suite[0].pqu().getValueAs('s')
print
suite = halflifeModule.suite()
h2 = halflifeModule.string('nucleus', 'stable',
quantityModule.stringToPhysicalUnit('s'))
suite.add(h2)
print suite.toXML()
suite2 = suite.parseXMLStringAsClass(suite.toXML())
if (suite2.toXML() != suite.toXML()): raise Exception('Fix me')
print '\n============== SPIN =============='
fraction = quantityModule.fraction.toValueType("5/2")
s1 = spinModule.fraction('nucleus', fraction,
quantityModule.stringToPhysicalUnit('hbar'))
xmls1 = s1.toXML()
print xmls1
s2 = s1.parseXMLStringAsClass(xmls1)
if (xmls1 != s2.toXML()): raise Exception('Fix me.')
from PoPs.quantities import charge as chargeModule
from PoPs.quantities import halflife as halflifeModule
from PoPs.families import lepton as leptonModule
electron = leptonModule.particle('e-', generation='electronic')
mass = massModule.double('base', 5.48579909070e-4,
quantityModule.stringToPhysicalUnit('amu'))
electron.mass.add(mass)
charge = chargeModule.integer('base', -1,
quantityModule.stringToPhysicalUnit('e'))
electron.charge.add(charge)
halflife = halflifeModule.string('base', 'stable',
quantityModule.stringToPhysicalUnit('s'))
electron.halflife.add(halflife)
spin = spinModule.fraction('base', spinModule.fraction.toValueType('1/2'),
quantityModule.stringToPhysicalUnit('hbar'))
electron.spin.add(spin)
parity = parityModule.integer('base', 1,
quantityModule.stringToPhysicalUnit(''))
electron.parity.add(parity)
print electron.toXML()
print
electron2 = leptonModule.particle.parseXMLStringAsClass(electron.toXML())
if (electron.toXML() != electron2.toXML()): raise Exception('Fix me')
def endfFileToGND(fileName,
useFilesQAlways=True,
singleMTOnly=None,
evaluation=None,
MTs2Skip=None,
parseCrossSectionOnly=False,
toStdOut=True,
toStdErr=True,
logFile=None,
skipBadData=False,
doCovariances=True,
verboseWarnings=False,
verbose=1,
reconstructResonances=True,
**kwargs):
logs = logFiles(toStdOut=toStdOut,
toStdErr=toStdErr,
logFile=logFile,
defaultIsStderrWriting=False)
header, MAT, MTDatas = endfFileToGNDMisc.parseENDFByMT_MF(fileName,
logFile=logs)
styleName = 'eval'
reconstructedStyleName = 'recon'
if MTs2Skip is None: MTs2Skip = []
# Parse the ENDF documentation section
info = readMF1MT451(MAT,
MTDatas,
styleName=styleName,
logFile=logs,
verboseWarnings=verboseWarnings,
**kwargs)
# OK, now decide what to do
# First batch of ITYPE's are the special cases
if (info.ITYPE == 2): # Thermal scattering law data
return (ENDF_ITYPE_2.ITYPE_2(MTDatas, info, verbose=verbose))
elif (info.ITYPE == 4): # Decay data, including SFPY
return (ENDF_ITYPE_4.ITYPE_4(MTDatas, info, verbose=verbose))
elif (info.ITYPE == 5): # Decay data, including SFPY
return (ENDF_ITYPE_5.ITYPE_5(MTDatas, info, verbose=verbose))
elif (info.ITYPE == 6): # Atomic relaxation data
if (info.NSUB not in [6]):
raise ValueError('For ITYPE = %d, invalid NSUB = %s' %
(info.ITYPE, info.NSUB))
return (ENDF_ITYPE_6.ITYPE_6(info.targetZA / 1000,
MTDatas,
info,
verbose=verbose))
# Second batch of ITYPE's are general transport data
if (info.LIS != 0): levelIndex = info.LIS
if (info.ITYPE in [
0, 1, 9
]): # Nuclear transport data (g, n, p, d, t, h, a), including FPY
target = toGNDMisc.getTypeNameGamma(info,
info.targetZA,
level=info.level,
levelIndex=info.levelIndex)
targetID = target.id
if ((info.STA != 0)):
halflife = halflifeModule.string(info.PoPsLabel,
halflifeModule.UNSTABLE,
halflifeModule.baseUnit)
target = info.PoPs[targetID]
if (isinstance(target, nuclearLevelModule.particle)):
target = target.nucleus
if (isinstance(target, isotopeModule.suite)):
target = target[0].nucleus
if (len(target.halflife) == 0): target.halflife.add(halflife)
elif (info.ITYPE == 3): # Atomic transport data (e, x)
targetZ = info.targetZA / 1000
targetID = chemicalElementModule.symbolFromZ[targetZ]
targetName = chemicalElementModule.nameFromZ[targetZ]
info.PoPs.add(
chemicalElementModule.suite(targetID, targetZ, targetName))
else:
raise ValueError("Unsupported ITYPE = %s" % info.ITYPE)
# Add alias if needed for metastable target
ZA2, MAT2 = endf_endlModule.ZAAndMATFromParticleName(targetID)
MAT2 += info.LISO
if (MAT2 != info.MAT):
info.logs.write(
" WARNING: ENDF MAT = %s not as expected (i.e., %s).\n" %
(info.MAT, MAT2),
stderrWriting=True)
if (info.LISO != 0):
targetBaseName = targetID.split('_')[0]
aliasName = alias.aliases.nuclearMetaStableName(
targetBaseName, info.LISO)
info.PoPs.add(
PoPsAliasModule.metaStable(aliasName, targetID, info.LISO))
# Compute the reconstructed and evaluated Styles
evaluatedStyle = fudge.gnd.styles.evaluated(
styleName,
'',
physicalQuantityModule.temperature(
PQUModule.pqu_float.surmiseSignificantDigits(
info.targetTemperature), 'K'),
info.library,
info.libraryVersion,
date=info.Date)
if (evaluation is None):
evaluation = "%s-%d.%d" % (info.library, info.NVER, info.LREL)
info.reconstructedStyle = stylesModule.crossSectionReconstructed(
reconstructedStyleName,
derivedFrom=evaluatedStyle.label,
date="2016-11-06")
# Stuff for handling transport data
info.printBadNK14 = True
info.continuumSpectraFix = False
info.ignoreMF10Fission = False
options = [
'printBadNK14', 'continuumSpectraFix', 'ignoreBadDate',
'ignoreMF10Fission'
]
for option in kwargs:
if (option not in options):
raise DeprecationWarning('invalid deprecated option "%s"' % option)
setattr(info, option, kwargs[option])
info.evaluatedStyle = evaluatedStyle
info.reconstructedAccuracy = 0.001
info.MF12_LO2 = {}
info.AWR_mode = None
info.particleSpins = {}
info.missingTwoBodyMasses = {}
info.MF4ForNonNeutrons = []
projectile = toGNDMisc.getTypeNameGamma(info, info.projectileZA)
# Set up the reactionSuite
reactionSuite = reactionSuiteModule.reactionSuite(
projectile.id,
targetID,
evaluation,
style=info.evaluatedStyle,
documentation=info.documentation,
MAT=MAT,
PoPs=info.PoPs)
MTDatas[451][1] = MTDatas[451][1][:4 + info.NWD]
info.reactionSuite = reactionSuite
info.PoPs = reactionSuite.PoPs
info.target = reactionSuite.target
# Set up the covarianceSuite, if needed, and do other ITYPE-specific calculations
covarianceSuite = None
if ((info.ITYPE == 0) or (info.ITYPE == 9)):
doRaise = info.NSUB not in {
0: [0, 10, 10010, 10020, 10030, 20030, 20040],
9: [19]
}[info.ITYPE]
if (doRaise):
raise ValueError('For ITYPE = %d, invalid NSUB = %s' %
(info.ITYPE, info.NSUB))
covarianceSuite = ENDF_ITYPE_0.ITYPE_0(
MTDatas,
info,
reactionSuite,
singleMTOnly,
MTs2Skip,
parseCrossSectionOnly,
doCovariances,
verbose,
reconstructResonances=reconstructResonances)
elif (info.ITYPE in [3, 1]):
if (info.NSUB not in [3, 11, 113]):
raise ValueError('For ITYPE = %d, invalid NSUB = %s' %
(info.ITYPE, info.NSUB))
ENDF_ITYPE_3.ITYPE_3(MTDatas,
info,
reactionSuite,
singleMTOnly,
parseCrossSectionOnly,
verbose=verbose)
# Fill up the reactionSuite
for reaction in reactionSuite.reactions:
addUnspecifiedDistributions(info, reaction.outputChannel)
for production in reactionSuite.productions:
addUnspecifiedDistributions(info, production.outputChannel)
PoPs = reactionSuite.PoPs
lightMasses = { # atomic masses in amu, taken from AME2012 (http://www.nndc.bnl.gov/masses/mass.mas12)
'n': 1.00866491585,
'H1': 1.00782503223,
'H2': 2.01410177812,
'H3': 3.01604927791,
'He3': 3.01602932008,
'He4': 4.00260325413,
}
for product1ID in info.missingTwoBodyMasses:
try:
product1Mass = PoPs[product1ID].getMass('amu')
except Exception as exc: # FIXME currently getMass raises Exception, should probably be KeyError instead
if product1ID in lightMasses:
product1Mass = lightMasses[product1ID]
PoPs[product1ID].mass.add(
massModule.double(
info.PoPsLabel, product1Mass,
quantityModule.stringToPhysicalUnit('amu')))
else:
raise exc
massPTmP1 = PoPs[reactionSuite.projectile].getMass( 'amu' ) + PoPs[reactionSuite.target].getMass( 'amu' ) - \
product1Mass
summedQM = 0
for product2ID, QM in info.missingTwoBodyMasses[product1ID]:
summedQM += QM
mass = massPTmP1 - PQUModule.PQU(
summedQM / len(info.missingTwoBodyMasses[product1ID]),
'eV/c**2').getValueAs('amu')
mass = massModule.double(info.PoPsLabel, mass,
quantityModule.stringToPhysicalUnit('amu'))
residual = reactionSuite.PoPs[info.missingTwoBodyMasses[product1ID][0]
[0]]
if (len(residual.mass) == 0): residual.mass.add(mass)
# Did we have trouble?
if (len(info.MF4ForNonNeutrons) > 0):
print ' WARNING: MF=4 data for non-neutron product: MTs = %s' % sorted(
info.MF4ForNonNeutrons)
if (len(info.doRaise) > 0 and not skipBadData):
info.logs.write('\nRaising due to following errors:\n')
for err in info.doRaise:
info.logs.write(err + '\n')
raise Exception('len( info.doRaise ) > 0')
return ({
'reactionSuite': reactionSuite,
'covarianceSuite': covarianceSuite,
'errors': info.doRaise,
'info': info
})