Source code for fudge.legacy.converting.ENDFToGNDS.ENDF_ITYPE_0

# <<BEGIN-copyright>>
# <<END-copyright>>

import sys
import fractions

from pqu import PQU as PQUModule

from PoPs import IDs as IDsPoPsModule
from PoPs.quantities import quantity as quantityModule
from PoPs.quantities import mass as massModule
from PoPs.quantities import spin as spinModule
from PoPs.quantities import parity as parityModule
from PoPs.decays import decayData as decayDataModule
from PoPs.decays import probability as probabilityModule
from PoPs.decays import product as productModule
from PoPs.groups import misc as chemicalElementMiscModule
from PoPs.families import nuclide as nuclideModule
from PoPs.families import gaugeBoson as gaugeBosonModule

from xData import standards as standardsModule

import endfFileToGNDSMisc as endfFileToGNDSMiscModule
from ENDF_ITYPE_0_Misc import BadResonances, getTotalOrPromptFission, getDelayedFission, readMF2, \
    readMF8, parseReaction, parseCovariances
from fudge.gnds import tokens as tokensModule
from fudge.gnds import externalFile as externalFileModule
from fudge.gnds import sums as sumsModule
from fudge.gnds import channels as channelsModule
from fudge.gnds.reactions import reaction as reactionModule
from fudge.gnds.reactions import production as productionModule
from fudge.gnds.reactions import incompleteReaction as incompleteReactionModule
from fudge.gnds.reactions import fissionComponent as fissionComponentModule
from fudge.gnds.reactionData import crossSection as crossSectionModule
from fudge.gnds.productData import multiplicity as multiplicityModule
from fudge.gnds.productData.distributions import unspecified as unspecifiedModule
from fudge.gnds.productData.distributions import branching3d as branching3dModule

from .. import toGNDSMisc as toGNDSMiscModule
from .. import endf_endl as endf_endlModule

[docs]def deriveMT3MF3FromMT1_2( info, reactionSuite ) : totalCrossSection, elasticCrossSection = None, None for reaction in reactionSuite.sums.crossSections : if( reaction.ENDF_MT == 1 ) : totalCrossSection = reaction.crossSection.evaluated break for reaction in reactionSuite.reactions : if( reaction.ENDF_MT == 2 ) : elasticCrossSection = reaction.crossSection.evaluated break if( totalCrossSection is None ) : raise Exception( 'No total cross section for calculating non-elastic' ) if( elasticCrossSection is None ) : raise Exception( 'No elastic cross section for calculating non-elastic' ) try : form = totalCrossSection - elasticCrossSection except : totalCrossSection = totalCrossSection.toPointwise_withLinearXYs( accuracy = 1e-3, lowerEps = 1e-6 ) elasticCrossSection = elasticCrossSection.toPointwise_withLinearXYs( accuracy = 1e-3, lowerEps = 1e-6 ) form = totalCrossSection - elasticCrossSection form.label = info.style return( form )
[docs]def ITYPE_0( MTDatas, info, reactionSuite, singleMTOnly, MTs2Skip, parseCrossSectionOnly, doCovariances, verbose, reconstructResonances=True ) : warningList = [] info.totalOrPromptFissionNeutrons = {} info.totalMF6_12_13Gammas = {} if( 452 in MTDatas ) : info.totalOrPromptFissionNeutrons['total'] = getTotalOrPromptFission( info, MTDatas[452][1], 'total', warningList ) #MTDatas.pop( 452 ) # don't remove these yet, still need the covariance info if( 455 in MTDatas ) : info.delayedFissionDecayChannel = getDelayedFission( info, MTDatas[455], warningList ) #MTDatas.pop( 455 ) if( 456 in MTDatas ) : info.totalOrPromptFissionNeutrons[tokensModule.promptToken] = getTotalOrPromptFission( info, MTDatas[456][1], tokensModule.promptToken, warningList ) #MTDatas.pop( 456 ) if( 458 in MTDatas ) : info.fissionEnergyReleaseData = MTDatas[458] #MTDatas.pop( 458 ) sys.stdout.flush( ) for warning in warningList : info.logs.write( " WARNING: %s\n" % warning, stderrWriting = True ) MTList = endfFileToGNDSMiscModule.niceSortOfMTs( MTDatas.keys( ), verbose = False, logFile = info.logs ) haveTotalFission = (18 in MTList) fissionMTs = [mt for mt in MTList if mt in (19,20,21,38)] continuumMTs = { 91 : range( 50, 91 ), 649 : range( 600, 649 ), 699 : range( 650, 699 ), 749: range( 700, 749 ), 799 : range( 750, 799 ), 849 : range( 800, 849 ) } summedReactions = {} summedReactionsInfo = { 4 : range( 50, 92 ), 103 : range( 600, 650 ), 104 : range( 650, 700 ), 105 : range( 700, 750 ), 106 : range( 750, 800 ), 107 : range( 800, 850 ) } for summedMT, partialReactions in summedReactionsInfo.items( ) : if( summedMT not in MTList ) : continue for MT in MTList : if( MT in partialReactions ) : summedReactions[summedMT] = None break for summedMT in ( 1, 3 ) : if( summedMT in MTList ) : summedReactions[summedMT] = None try : inelasticMT = { 1 : 91, 1001 : 649, 1002 : 699, 1003 : 749, 2003 : 799, 2004 : 849 }[info.projectileZA] except : inelasticMT = -1 MT5Reaction = None reactions = [] fissionComponents = [] productions = [] incompleteReactions = [] nonElastic = [] delayInsertingSummedReaction = [] linksToCheck = [] # links that may need to be updated after reading resonances for MT in MTList : if( MT in MTs2Skip ) : continue if( ( singleMTOnly is not None ) and ( MT != singleMTOnly ) ) : continue channelProcess = None if( MT == inelasticMT ) : channelProcess = channelsModule.processes.continuum else : if( MT in continuumMTs ) : for discreteMT in continuumMTs[MT] : if( discreteMT in MTList ) : channelProcess = channelsModule.processes.continuum warningList = [] MTData = MTDatas[MT] # Sometimes excited states are identified in MF8. Read this before reading distributions to make sure info is present. LMF, radioactiveDatas = readMF8( info, MT, MTData, warningList ) doParseReaction = 3 in MTData if( not( doParseReaction ) ) : if( MT == 3 ) : doParseReaction = ( 12 in MTData ) or ( 13 in MTData ) if( doParseReaction ) : # normal reaction, with cross section and distributions try : crossSection, outputChannel, MFKeys = parseReaction( info, info.target, info.projectileZA, info.targetZA, MT, MTData, warningList, parseCrossSectionOnly = parseCrossSectionOnly, channelProcess = channelProcess ) except KeyboardInterrupt: raise except: import traceback info.logs.write( traceback.format_exc( ), stderrWriting = True ) info.doRaise.append( traceback.format_exc( ) ) info.logs.write( '\n' ) sys.stdout.flush( ) continue info.logs.write( '\n' ) sys.stdout.flush( ) if( len( MFKeys ) ) : warningList.append( 'For reaction MT = %d, the following MFs were not converted: %s\n' % ( MT, MFKeys ) ) if( outputChannel is None ) : break if( MT in summedReactions ) : summedReactions[MT] = [ crossSection, outputChannel ] else : if( MT != 2 ) : nonElastic.append( MT ) reaction = reactionModule.reaction( outputChannel, ENDF_MT = MT ) if( hasattr( info, 'dSigma_form' ) ) : reaction.doubleDifferentialCrossSection.add( info.dSigma_form ) del info.dSigma_form crossSection = crossSectionModule.CoulombPlusNuclearElastic( link = reaction.doubleDifferentialCrossSection.evaluated, label = info.style, relative = True ) reaction.crossSection.add( crossSection ) if( MT == 5 ) : MT5Reaction = reaction elif MT in fissionMTs and haveTotalFission: # this is 1st, 2nd, etc fission but total is also present from fudge.gnds.channelData.fissionEnergyReleased import fissionEnergyReleased if isinstance( reaction.outputChannel.Q.evaluated, fissionEnergyReleased ): Qcomponent = reaction.outputChannel.Q qval = toGNDSMiscModule.returnConstantQ( info.style, Qcomponent.evaluated.nonNeutrinoEnergy.data.coefficients[0], crossSection ) Qcomponent.remove( info.style ) Qcomponent.add( qval ) # just put the approximate constant Q-value on 1st-chance, 2nd-chance etc. fissionComponents.append( reaction ) else : if( MT in summedReactionsInfo ) : delayInsertingSummedReaction.append( reaction ) else : reactions.append( [ MT, reaction ] ) else : MFList = [] for MF in [ 4, 5, 6, 12, 13, 14, 15 ] : if( MF in MTData ) : MFList.append( '%d' % MF ) if( MFList != [] ) : warningList.append( 'MT = %d has MF = %s data and no MF 3 data' % ( MT, ', '.join( MFList ) ) ) for radioactiveData in radioactiveDatas : # Get radioactive production data (if any) from MF 8-10. Cross section form depends on value of LMF. if( LMF in [ 3, 6, 9 ] ) : # Cross section is reference to MF3. productionCrossSection = crossSectionModule.reference( link = reaction.crossSection.evaluated, label = info.style ) linksToCheck.append( productionCrossSection ) elif( LMF == 10 ) : # MF10 data is cross section. Product's multipliticy is 1. productionCrossSection = radioactiveData[4] else : raise Exception( "Unknown LMF=%d encountered in MF=8 for MT=%d" % ( LMF, MT ) ) ZAP = radioactiveData[0] ELFS = radioactiveData[1] LFS = radioactiveData[2] Q = outputChannel.Q[info.style] if( LMF in [ 9, 10 ] ) : Q = toGNDSMiscModule.returnConstantQ( info.style, radioactiveData[6], productionCrossSection ) if MT==18: outputChannel = channelsModule.fissionChannel( channelsModule.fissionGenreTotal ) outputChannel.Q.add(Q) icr = incompleteReactionModule.incompleteReaction(outputChannel,MT,label="fission") icr.crossSection.add( productionCrossSection ) incompleteReactions.append( icr ) continue if( LMF == 6 ) : # Product multiplicity is in MF6, so production channel multiplicity needs to refer to it: residual = toGNDSMiscModule.getTypeNameGamma( info, ZAP, level = ELFS, levelIndex = LFS ) MF6prod = outputChannel.getProductsWithName( residual.id ) if( len( MF6prod ) != 1 ) : # problem appears in JEFF-3.2 Y90 and Y91 warningList.append( 'Unique MT%d radioactive product %s not found in product list!' % ( MT, residual.id ) ) info.doRaise.append( warningList[-1] ) continue multiplicity = multiplicityModule.reference( label = info.style, link = MF6prod[0].multiplicity ) else : multiplicity = radioactiveData[3] try : residual = toGNDSMiscModule.newGNDSParticle( info, toGNDSMiscModule.getTypeNameGamma( info, ZAP, level = ELFS, levelIndex = LFS ), crossSection, multiplicity = multiplicity ) except : info.logs.write( '\nMT = %s\n' % MT ) raise productionOutputChannel = channelsModule.productionChannel( ) productionOutputChannel.Q.add( Q ) productionOutputChannel.products.add( productionOutputChannel.products.uniqueLabel( residual ) ) productionOutputChannel.process = "%s%s" % (reactionSuite.target, endf_endlModule.endfMTtoC_ProductLists[MT].reactionLabel.replace('z,', reactionSuite.projectile+',') ) production = productionModule.production( productionOutputChannel, ENDF_MT = MT ) production.crossSection.add( productionCrossSection ) productions.append( production ) for warning in warningList : info.logs.write( " WARNING: %s\n" % warning, stderrWriting = True ) for MT, reaction in reactions : reactionSuite.reactions.add( reaction ) for reaction in delayInsertingSummedReaction : reactionSuite.reactions.add( reaction ) if( MT5Reaction is not None ) : reactionSuite.reactions.add( MT5Reaction ) # BRB, The channelIDs should be in a common area????? channelIDs = { 1 : 'total', 3 : 'nonelastic', 4 : '(z,n)', 103 : '(z,p)', 104 : '(z,d)', 105 : '(z,t)', 106 : '(z,He3)', 107 :'(z,alpha)' } if( 3 in summedReactions ) : summedReactionsInfo[3] = nonElastic if( ( 1 in summedReactions ) and ( 2 in MTList ) ) : summedReactionsInfo[1] = [ 2 ] + nonElastic summedReactionMTs = endfFileToGNDSMiscModule.niceSortOfMTs( summedReactions.keys( ), verbose = False, logFile = info.logs ) for MT in ( 4, 3, 1 ) : if( MT in summedReactionMTs ) : summedReactionMTs.remove( MT ) summedReactionMTs.insert( 0, MT ) for i1, MT in enumerate( summedReactionMTs ) : if( summedReactions[MT] is None ) : continue crossSection, outputChannel = summedReactions[MT] omitWhenWritingENDF = False if( ( MT == 3 ) and ( crossSection is None ) ) : crossSection = deriveMT3MF3FromMT1_2( info, reactionSuite ) omitWhenWritingENDF = True summands = [ sumsModule.add( link = r.crossSection ) for r in reactionSuite.reactions if r.ENDF_MT in summedReactionsInfo[MT] ] summedCrossSection = sumsModule.crossSectionSum( label = channelIDs[MT], ENDF_MT = MT, summands = sumsModule.listOfSummands( summandList = summands ) ) summedCrossSection.Q.add( outputChannel.Q[info.style] ) summedCrossSection.crossSection.add( crossSection ) if( omitWhenWritingENDF ): info.ENDFconversionFlags.add( summedCrossSection, "omit" ) reactionSuite.sums.crossSections.add( summedCrossSection ) gammas = [] for product in outputChannel : particle = reactionSuite.PoPs[product.id] if( isinstance( particle, gaugeBosonModule.particle ) ) : gammas.append( product ) else : if( product.outputChannel is not None ) : for product2 in product.outputChannel : particle = reactionSuite.PoPs[product2.id] if( isinstance( particle, gaugeBosonModule.particle ) ) : gammas.append( product2 ) if( len( gammas ) > 0 ) : productChannel = channelsModule.NBodyOutputChannel( ) for QForm in outputChannel.Q : productChannel.Q.add( QForm ) for gamma in gammas : productChannel.products.add( productChannel.products.uniqueLabel( gamma ) ) productionReaction = reactionModule.reaction( productChannel, ENDF_MT = MT, label = str( i1 ) ) crossSectionLink = crossSectionModule.reference( link = summedCrossSection.crossSection.evaluated, label = info.style ) linksToCheck.append( crossSectionLink ) productionReaction.crossSection.add( crossSectionLink ) reactionSuite.orphanProducts.add( productionReaction ) for i1, reaction in enumerate( fissionComponents ) : # 1st-chance, 2nd-chance, etc. Convert them to fissionComponent instances: fissionComponent = fissionComponentModule.fissionComponent( reaction.outputChannel, reaction.ENDF_MT ) for crossSection in reaction.crossSection : fissionComponent.crossSection.add( crossSection ) reactionSuite.fissionComponents.add( fissionComponent ) for production in productions: reactionSuite.productions.add( production ) for incomplete in incompleteReactions: reactionSuite.incompleteReactions.add( incomplete ) if hasattr( info, 'totalDelayedMultiplicity' ): prompt, delayed = [], [] for neutron in reactionSuite.getReaction('fission').outputChannel.getProductsWithName( IDsPoPsModule.neutron ): link_ = sumsModule.add( link = neutron.multiplicity ) if neutron.getAttribute('emissionMode') == tokensModule.delayedToken: delayed.append( link_ ) else: prompt.append( link_ ) delayedNubar = sumsModule.multiplicitySum( label = "delayed fission neutron multiplicity", ENDF_MT = 455, summands = sumsModule.listOfSummands(delayed) ) delayedNubar.multiplicity.add( info.totalDelayedMultiplicity ) reactionSuite.sums.multiplicities.add( delayedNubar ) total = prompt + [sumsModule.add( link = delayedNubar.multiplicity )] totalNubar = sumsModule.multiplicitySum( label = "total fission neutron multiplicity", ENDF_MT = 452, summands = sumsModule.listOfSummands(total) ) totalNubar.multiplicity.add( info.totalOrPromptFissionNeutrons['total'] ) reactionSuite.sums.multiplicities.add( totalNubar ) warningList = [] try : # Parse resonance section. mf2 = None if( 151 in MTDatas and not parseCrossSectionOnly ) : mf2 = MTDatas.get( 151 ).get( 2 ) # Resonance data available. if( mf2 ) : info.logs.write( ' Reading resonances (MF=2 MT=151)\n' ) resonances, resonanceMTs = readMF2( info, mf2, warningList ) if info.LRP == 2: # LRP was read in from first line of ENDF file if resonances.resolved: resonances.resolved.evaluated.useForSelfShieldingOnly = True if resonances.unresolved: resonances.unresolved.evaluated.useForSelfShieldingOnly = True reactionSuite.addResonances( resonances ) if resonances.reconstructCrossSection: # modify cross sections for relevant channels to indicate resonance contribution is needed: resonanceLink = crossSectionModule.resonanceLink( link = resonances ) for MT in resonanceMTs : MTChannels = [ r1 for r1 in reactionSuite.reactions if( r1.ENDF_MT == MT ) ] MTChannels += [ r1 for r1 in reactionSuite.sums.crossSections if( r1.ENDF_MT == MT ) ] MTChannels += [ r1 for r1 in reactionSuite.fissionComponents if( r1.ENDF_MT == MT ) ] if( len( MTChannels ) == 0 ) : if( MT in ( 3, 18, 19 ) ) : continue else : warningList.append( 'Unable to find channel corresponding to resonance data for MT%d' % MT ) elif( len( MTChannels ) == 1 ) : crossSectionComponent = MTChannels[0].crossSection backgroundForm = crossSectionComponent[info.style] backgroundForm.label = None crossSectionComponent.remove( backgroundForm.label ) # break background up into resolved, unresolved and fast regions: haveResolved = (resonances.resolved is not None and not resonances.resolved.evaluated.useForSelfShieldingOnly) haveUnresolved = (resonances.unresolved is not None and not resonances.unresolved.evaluated.useForSelfShieldingOnly) if isinstance(backgroundForm, crossSectionModule.XYs1d): backgroundBoundaries = [] else: backgroundBoundaries = [region.domainMax for region in backgroundForm[:-1]] missingBoundaries = {} if haveResolved and resonances.resolved.domainMax not in backgroundBoundaries: missingBoundaries[resonances.resolved.domainMax] = ['mergeWithNextRegion'] if haveUnresolved and resonances.unresolved.domainMax not in backgroundBoundaries: missingBoundaries[resonances.unresolved.domainMax] = ['mergeWithNextRegion'] if missingBoundaries: # ENDF manual doesn't insist on breaking the background into regions, but GNDS does bkForm2 = crossSectionModule.regions1d(axes=backgroundForm.axes) domainMin = backgroundForm.domainMin if isinstance(backgroundForm, crossSectionModule.XYs1d): for boundary in sorted(missingBoundaries.keys()): if boundary not in backgroundForm.domainGrid: missingBoundaries[boundary].append('deletePoint') bkForm2.append( backgroundForm.domainSlice(domainMin, boundary) ) domainMin = boundary bkForm2.append( backgroundForm.domainSlice(domainMin, backgroundForm.domainMax) ) else: # regions1d startIdx = 0 for boundary in sorted(missingBoundaries.keys()): for idx in range(startIdx, len(backgroundForm)): if backgroundForm[idx].domainMax > boundary: break bkForm2.append( backgroundForm[idx] ) # add the missing boundary: if boundary not in backgroundForm[idx].domainGrid: missingBoundaries[boundary].append('deletePoint') bkForm2.append( backgroundForm[idx].domainSlice(domainMin, boundary)) domainMin = boundary startIdx = idx bkForm2.append( backgroundForm[idx].domainSlice(domainMin, backgroundForm[idx].domainMax) ) for region in backgroundForm[idx + 1:]: bkForm2.append(region) for link in linksToCheck: # update links if necessary: if link.link is backgroundForm: link.link = bkForm2 backgroundForm = bkForm2 RRBack = URRBack = fastBack = None idx = 0 if haveResolved: while backgroundForm[idx].domainMax < resonances.resolved.domainMax: idx += 1 if backgroundForm[idx].domainMax > resonances.resolved.domainMax: warningList.append("Domain mismatch between resolved resonances and background") info.doRaise.append(warningList[-1]) if idx == 0: RRBack = backgroundForm[idx] RRBack.index = None else: RRBack = crossSectionModule.regions1d(axes=backgroundForm.axes) for jdx in range(idx+1): RRBack.append(backgroundForm[jdx]) RRBack = crossSectionModule.resolvedRegion( RRBack ) if resonances.resolved.domainMax in missingBoundaries: info.ENDFconversionFlags.add( RRBack, ",".join(missingBoundaries[resonances.resolved.domainMax]) ) idx += 1 startIdx = idx if haveUnresolved: while backgroundForm[idx].domainMax < resonances.unresolved.domainMax: idx += 1 if backgroundForm[idx].domainMax != resonances.unresolved.domainMax: warningList.append("Domain mismatch between unresolved resonances and background") info.doRaise.append(warningList[-1]) if idx==startIdx: URRBack = backgroundForm[idx] URRBack.index = None else: URRBack = crossSectionModule.regions1d(axes=backgroundForm.axes) for jdx in range(startIdx,idx+1): URRBack.append(backgroundForm[jdx]) URRBack = crossSectionModule.unresolvedRegion( URRBack ) if resonances.unresolved.domainMax in missingBoundaries: info.ENDFconversionFlags.add( URRBack, ",".join(missingBoundaries[resonances.unresolved.domainMax]) ) idx += 1 startIdx = idx if startIdx == len(backgroundForm)-1: fastBack = backgroundForm[startIdx] fastBack.index = None else: fastBack = crossSectionModule.regions1d(axes=backgroundForm.axes) for jdx in range(startIdx, len(backgroundForm)): fastBack.append(backgroundForm[jdx]) fastBack = crossSectionModule.fastRegion( fastBack ) background_ = crossSectionModule.background( RRBack, URRBack, fastBack ) crossSectionComponent.add( crossSectionModule.resonancesWithBackground( info.style, resonanceLink, background_, backgroundForm.uncertainty ) ) for link in linksToCheck: if link.link is backgroundForm: link.link = crossSectionComponent[ info.style ] else : raise NotImplementedError("Multiple reactions match resonance MT%d" % MT) except BadResonances as e: warningList.append( ' ERROR: unable to parse resonances! Error message: %s' % e ) info.doRaise.append( warningList[-1] ) MF12BaseMTsAndRange = [ [ 50, 92 ], [ 600, 650 ], [ 650, 700 ], [ 700, 750 ], [ 750, 800 ], [ 800, 850 ] ] if( singleMTOnly is None ) : for MTLO2, MF12_LO2 in sorted(info.MF12_LO2.items()) : # The logic below assumes MTs are in ascending order per base MT. branchingBaseMT = None for MTBase, MTEnd in MF12BaseMTsAndRange : # Determine base MT for this MTLO2 if( MTBase < MTLO2 < MTEnd ) : branchingBaseMT = MTBase break if( branchingBaseMT is not None ) : residualZA = endf_endlModule.ENDF_MTZAEquation( info.projectileZA, info.targetZA, branchingBaseMT )[0][-1] residual = toGNDSMiscModule.getTypeNameENDF( info, residualZA, None ) residualName = residual.id level = MTLO2 - branchingBaseMT levelEnergy = MF12_LO2[0]['ES'] fullName = chemicalElementMiscModule.nuclideIDFromIsotopeSymbolAndIndex( residualName, level ) decayProduct = None for reaction in reactionSuite.reactions : if( MTLO2 == reaction.ENDF_MT ) : if( isinstance( reaction.outputChannel, channelsModule.twoBodyOutputChannel ) ) : _decayProduct = reaction.outputChannel[1] if( _decayProduct.id == fullName ) : if( _decayProduct.outputChannel is None ) : decayProduct = _decayProduct break if( decayProduct is None ) : pass else : crossSection = reaction.crossSection[0] decayChannel = channelsModule.NBodyOutputChannel( ) decayChannel.Q.add( toGNDSMiscModule.returnConstantQ( info.style, -reaction.outputChannel.Q[0].constant, crossSection ) ) decayResidualName = reactionSuite.PoPs[fullName].isotope.symbol decayChannel.products.add( toGNDSMiscModule.newGNDSParticle( info, decayResidualName, crossSection ) ) multiplicity = multiplicityModule.branching1d( info.style ) decayPhoton = toGNDSMiscModule.newGNDSParticle( info, IDsPoPsModule.photon, crossSection, multiplicity = multiplicity ) pids = branching3dModule.pids( decayProduct.id, decayResidualName ) decayPhoton.distribution.add( branching3dModule.form( info.style, pids, standardsModule.frames.labToken ) ) decayChannel.products.add( decayPhoton ) decayProduct.addOutputChannel( decayChannel ) reaction.updateLabel( ) particleLevelEnergy_eV = reactionSuite.PoPs[fullName].energy[0].value # Compare this value to level energy from the particle list (from MF3 Q-value). if( levelEnergy != particleLevelEnergy_eV ) : if( particleLevelEnergy_eV < 1e-12 ) : warningList.append( "MF12 parent level energy (%s) set to zero?" % particleLevelEnergy_eV ) info.doRaise.append( warningList[-1] ) elif( abs( levelEnergy - particleLevelEnergy_eV ) < 1e-4 * particleLevelEnergy_eV ) : MFLabel = '3' # Value with most precision wins. str1 = PQUModule.floatToShortestString( levelEnergy * 1e-20 ) # 1e-20 to insure e-form is returned. str2 = PQUModule.floatToShortestString( particleLevelEnergy_eV * 1e-20 ) # Want 1.23e-16 and not 12300 to differ if( len( str1 ) > len( str2 ) ) : # length from 1.2345e-16 and not 12345. reactionSuite.PoPs[fullName].energy[0].value = levelEnergy MFLabel = '12' if( str1 != str2 ) : warningList.append( "MT%d MF12 level energy %s differs from MF3 value %s. Setting to MF%s value." % ( MTLO2, levelEnergy, particleLevelEnergy_eV, MFLabel ) ) else : warningList.append( "MT%d MF12 parent level energy (%s) doesn't match known level" % ( MTLO2, particleLevelEnergy_eV ) ) info.doRaise.append( warningList[-1] ) for i1, MF12 in enumerate( MF12_LO2 ) : try : finalLevelEnergy = MF12['ESk'] if( finalLevelEnergy > 0. ) : # Find particle in the particleList with energy = finalLevelEnergy finalParticles = [ lev for lev in reactionSuite.PoPs[residualName].ancestor if lev.energy.float('eV') == finalLevelEnergy ] if( len( finalParticles ) == 1 ) : finalParticle = finalParticles[0] else : # No exact match, look for levels within .01% of the exact value. idx = 0 while( True ) : idx += 1 finalParticleName = chemicalElementMiscModule.nuclideIDFromIsotopeSymbolAndIndex( residualName, idx ) if( not reactionSuite.hasParticle( finalParticleName ) ) : warningList.append( "MF12 final level energy (%s eV) doesn't match known level when decaying out of level %s " % \ ( finalLevelEnergy, MTLO2 ) ) info.doRaise.append( warningList[-1] ) try : thisLevelEnergy = reactionSuite.PoPs[finalParticleName].energy.pqu( ).getValueAs( 'eV' ) except KeyError : raise Exception( 'Could not find nuclide of %s with desired energy level of %s.' % ( residualName, finalLevelEnergy ) ) except : raise if( abs( thisLevelEnergy - finalLevelEnergy ) < 1e-4 * finalLevelEnergy ) : finalParticle = reactionSuite.PoPs[finalParticleName] break # found it else : finalParticle = reactionSuite.PoPs[residualName] gammaTransition = 1. if( len( MF12['branching'] ) > 2 ) : gammaTransition = MF12['branching'][1] if( gammaTransition != 1 ) : raise Exception( 'Fix me' ) probability = probabilityModule.double( info.PoPsLabel, MF12['branching'][0] ) decayMode = decayDataModule.decayMode( str( i1 ), 'electroMagnetic' ) decayMode.probability.add( probability ) _decay = decayDataModule.decay( str( i1 ), decayDataModule.decayModesParticle) _decay.products.add( productModule.product( IDsPoPsModule.photon, IDsPoPsModule.photon ) ) _decay.products.add( productModule.product( finalParticle.id, finalParticle.id ) ) decayMode.decayPath.add( _decay ) if MF12['LG'] == 2: # internal conversion competes with gamma emission from PoPs.decays import spectrum as spectrumModule Pgamma = spectrumModule.shell( MF12['branching'][1], label=spectrumModule.shell.total ) decayMode.photonEmissionProbabilities.add( Pgamma ) reactionSuite.PoPs[fullName].decayData.decayModes.add( decayMode ) except Exception as err : warningList.append( 'raise somewhere in "for MF12 in MF12_LO2" loop: MT%d, %s' % ( MT, str( err ) ) ) info.doRaise.append( warningList[-1] ) else : raise Exception( "Could not determine base MT for MF=12's MT=%s" % MTLO2 ) if( doCovariances ) : covarianceMFs = sorted( set( [mf for mt in MTDatas.values() for mf in mt.keys() if mf>30] ) ) if covarianceMFs: info.logs.write( ' Reading covariances (MFs %s)\n' % ','.join(map(str,covarianceMFs) ) ) try: """ parse covariances. This also requires setting up links from data to covariances, so we must ensure the links are synchronized """ MTdict = {} for reaction in ( list( reactionSuite.reactions ) + list( reactionSuite.sums.crossSections ) + list( reactionSuite.productions ) + list( reactionSuite.fissionComponents ) + list( reactionSuite.incompleteReactions ) ) : MT = reaction.ENDF_MT if MT in MTdict: MTdict[MT].append( reaction ) else: MTdict[MT] = [reaction] covarianceSuite, linkData = parseCovariances( info, MTDatas, MTdict, singleMTOnly = singleMTOnly, resonances = getattr( reactionSuite, 'resonances', None ) ) if( len( covarianceSuite.covarianceSections ) > 0 or len( covarianceSuite.parameterCovariances ) > 0 ) : covarianceSuite.target = str(info.target) covarianceSuite.projectile = str(info.projectile) covarianceSuite.styles.add( info.evaluatedStyle ) reactionSuite.externalFiles.add( externalFileModule.externalFile("covariances","test.endf6-covar.xml") ) #covarianceSuite.removeExtraZeros() # disable for easier comparison to ENDF else : covarianceSuite = None except Exception as e: warningList.append( "Couldn't parse covariances! Error message: %s" % e ) info.doRaise.append( warningList[-1] ) covarianceSuite = None raise else : covarianceSuite = None info.massTracker.useMostCommonAMUmasses() if( info.level > 0 ) : # AWR is for isomer mass. Adjust info.ZAMasses to GS mass: groundStateMass = info.massTracker.getMassAMU( info.targetZA ) - PQUModule.PQU( PQUModule.pqu_float.surmiseSignificantDigits( info.level ),'eV/c**2').getValueAs('amu') info.massTracker.addMassAMU( info.targetZA, groundStateMass ) # overwrite excited state mass for ZA in info.massTracker.amuMasses : if( ZA in [ 1 ] ) : continue mass = info.massTracker.amuMasses[ZA] elementSymbol = chemicalElementMiscModule.symbolFromZ[ZA/1000] name = chemicalElementMiscModule.isotopeSymbolFromChemicalElementIDAndA( elementSymbol, ZA % 1000 ) name = chemicalElementMiscModule.nuclideIDFromIsotopeSymbolAndIndex( name, 0 ) mass = massModule.double( info.PoPsLabel, mass, quantityModule.stringToPhysicalUnit( 'amu' ) ) if( name not in reactionSuite.PoPs ) : toGNDSMiscModule.getPoPsParticle( info, ZA, levelIndex = 0 ) particle = reactionSuite.PoPs[name] particle.mass.add( mass ) sys.stdout.flush( ) for warning in warningList : info.logs.write( " WARNING: %s\n" % warning, stderrWriting = True ) targetID = reactionSuite.target if( targetID in reactionSuite.PoPs.aliases ) : targetID = reactionSuite.PoPs[targetID].pid ignoreID = None for particleID, spinParity in info.particleSpins.items( ) : if( particleID == 'target' ) : ignoreID = targetID for particleID, spinParity in info.particleSpins.items( ) : if( ignoreID == particleID ) : continue spin = spinModule.fraction( info.PoPsLabel, fractions.Fraction( spinParity[0] ), spinModule.baseUnit ) if( particleID == reactionSuite.target ) : particleID = targetID if( particleID == 'target' ) : particle = reactionSuite.PoPs[targetID] else : particle = reactionSuite.PoPs[particleID] if( isinstance( particle, nuclideModule.particle ) ) : particle = particle.nucleus if( len( particle.spin ) == 0 ) : particle.spin.add( spin ) if( spinParity[1] ) : parity = spinParity[1].value particle.parity.add( parityModule.integer( info.PoPsLabel, parity, parityModule.baseUnit ) ) for reaction in reactionSuite.reactions : if( isinstance( reaction.outputChannel, channelsModule.twoBodyOutputChannel ) ) : residual = reaction.outputChannel[1] if( residual.outputChannel is None ) : particle = info.PoPs[residual.id] if( isinstance( particle, nuclideModule.particle ) ) : if( ( particle.nucleus.index != 0 ) and ( len( particle.decayData.decayModes ) == 0 ) ) : # gamma data should be in orphanProducts. groundState = particle.isotope.nuclides[0] ZA = chemicalElementMiscModule.ZA( groundState ) multiplicity = residual.multiplicity[0].copy( ) residual.addOutputChannel( channelsModule.NBodyOutputChannel( ) ) residual.outputChannel.Q.add( toGNDSMiscModule.returnConstantQ( info.style, particle.nucleus.energy[0].value, multiplicity ) ) product = toGNDSMiscModule.newGNDSParticle( info, toGNDSMiscModule.getPoPsParticle( info, ZA, groundState.id ), crossSection, multiplicity = multiplicity ) product.distribution.add( unspecifiedModule.form( info.style, standardsModule.frames.labToken ) ) info.ENDFconversionFlags.add( product, 'implicitProduct' ) residual.outputChannel.products.add( product ) reaction.updateLabel( ) if( reconstructResonances and reactionSuite.resonances is not None and reactionSuite.resonances.reconstructCrossSection ): info.logs.write( ' Reconstructing resonances\n' ) try: reactionSuite.reconstructResonances( style=info.reconstructedStyle, accuracy=info.reconstructedAccuracy, verbose = verbose, thin=True ) except Exception as ex: warningList.append( "Resonance reconstruction failed: %s" % ex ) info.doRaise.append( warningList[-1] ) def adjustMF13Multiplicity2( multiplicity, crossSection ) : energyMultiplicity = [] if( multiplicity.domainMax > crossSection.domainMax ) : multiplicity = multiplicity.domainSlice( domainMax = crossSection.domainMax ) for energyIn, multiplicityValue in multiplicity : crossSectionAtEnergy = crossSection.evaluate( energyIn ) if( crossSectionAtEnergy != 0 ) : multiplicityValue /= crossSectionAtEnergy energyMultiplicity.append( [ energyIn, multiplicityValue ] ) multiplicity.setData( energyMultiplicity ) def adjustMF13Multiplicity( multiplicity, crossSection ) : if( isinstance( multiplicity, multiplicityModule.XYs1d ) ) : adjustMF13Multiplicity2( multiplicity, crossSection ) elif( isinstance( multiplicity, multiplicityModule.regions1d ) ) : for region in multiplicity : adjustMF13Multiplicity2( region, crossSection ) else : raise Exception( 'Unsupported multiplicity type "%s"' % multiplicity.moniker ) def adjustMF13Gammas( reaction ) : MT = reaction.ENDF_MT crossSection = None allproducts = list( reaction.outputChannel ) for prod in reaction.outputChannel : if prod.outputChannel is not None : allproducts.extend( list( prod.outputChannel ) ) for product in allproducts : multiplicity = product.multiplicity[info.style] if( hasattr( multiplicity, '_temp_divideByCrossSection' ) ) : if( crossSection is None ) : crossSection = reaction.crossSection.toPointwise_withLinearXYs( accuracy = 1e-3, upperEps = 1e-8 ) adjustMF13Multiplicity( multiplicity, crossSection ) del multiplicity._temp_divideByCrossSection if( MT in info.totalMF6_12_13Gammas ) : MF, multiplicity = info.totalMF6_12_13Gammas[MT] if( MF == 13 ) : adjustMF13Multiplicity( multiplicity, crossSection ) gammaProduction = [ tmp for tmp in reactionSuite.reactions if tmp.ENDF_MT == MT ] # raises ValueError if more than one match found gammaProduction += [ tmp for tmp in reactionSuite.orphanProducts if tmp.ENDF_MT == MT ] if( len( gammaProduction ) != 1 ) : raise ValueError( "No unique match found." ) gammaProduction = gammaProduction[0] summands = [ sumsModule.add( link = r.multiplicity ) for r in gammaProduction.outputChannel.getProductsWithName( IDsPoPsModule.photon ) ] if len(summands)==0: for _product in gammaProduction.outputChannel: if _product.outputChannel is not None: summands += [ sumsModule.add( link = r.multiplicity ) for r in _product.outputChannel.getProductsWithName( IDsPoPsModule.photon ) ] if( MT in channelIDs ) : name = channelIDs[MT] else : name = str( gammaProduction.outputChannel ) multiplicitySum = sumsModule.multiplicitySum( label = name + " total gamma multiplicity", ENDF_MT = MT, summands = sumsModule.listOfSummands( summands ) ) multiplicitySum.multiplicity.add( multiplicity ) reactionSuite.sums.multiplicities.add( multiplicitySum ) for reaction in reactionSuite.reactions : adjustMF13Gammas( reaction ) for reaction in reactionSuite.orphanProducts : adjustMF13Gammas( reaction ) # Short-lived light isotopes sometimes listed implicitly in ENDF-6, without associated mass: for pid,ZA in (('He5',2005), ('Li5',3005), ('Be8',4008)): if pid in reactionSuite.PoPs: particle = reactionSuite.PoPs[pid] try: particle.getMass('amu') except: from fudge.legacy.endl.structure import masses as AMEmasses particle.mass.add( massModule.double(info.PoPsLabel, AMEmasses.getMassFromZA(ZA), 'amu')) return( covarianceSuite )