def get_union_parameters(materials,
globalTDict,
globalBXSDict,
globalTXSDict,
useBXS=False,
verbosity=False):
# Sab is for S(alpha,beta), the free/bound thermal treatment used by each nuclide
globalZASabList = get_union_sab_nuclide_list(materials)
globalZAList = get_union_nuclide_list(materials)
globalZList = get_union_element_list(materials)
#
check_unique_short_names(materials, verbosity)
#
potXSDict = {}
dirDict = get_common_directories()
get_endf_files(globalZAList, dirDict, potXSDict, useBXS, verbosity)
get_thermal_endf_files(globalZASabList, dirDict, verbosity)
#
get_global_temperature_dict(globalZASabList, materials, globalTDict)
#
calc_background_xs(materials, potXSDict, useBXS)
get_global_background_xs_dict(globalZASabList, materials, globalBXSDict)
#
get_global_thermal_xs_dict(globalZASabList, materials, globalTXSDict)
#
#
return globalZASabList, globalZAList, globalZList
def perform_bondarenko_iterations(inputDict, materials, verbosity):
'''Driver for Bondarenko iterations'''
maxIterations = inputDict['numberiterationsmax']
maxError = inputDict['errormax']
useSimpleRxn = inputDict['simplereactions']
scatMatrixFormat = inputDict['format']
rxnsToPrint = inputDict['printopt']
energyMeshPath = inputDict['mesh']
fluxBasePath = inputDict['fluxes']
#
dirDict = get_common_directories()
rootDirr = dirDict['gendf']
outDirr = dirDict['pdtxs']
#
energyMesh = None
if energyMeshPath is not None:
energyMesh = np.loadtxt(energyMeshPath, dtype=np.int, skiprows=2, usecols=[0])[:-1]
numElements = len(np.unique(energyMesh))
energyMeshFilenameOut = 'mesh_{0}.txt'.format(numElements)
energyMeshPathOut = os.path.join(outDirr, energyMeshFilenameOut)
shutil.copy2(energyMeshPath, energyMeshPathOut)
#
if verbosity:
print '------- Bondarenko -------'
fluxDict = read_fluxes(fluxBasePath, materials)
for material in materials:
backgroundXSDict = iterate_one_material(rootDirr, material, maxError, maxIterations, energyMesh, fluxDict, verbosity)
if maxIterations < 0:
unset_background_xs_dict(material, backgroundXSDict, verbosity)
print_one_material(rootDirr, outDirr, material, backgroundXSDict, scatMatrixFormat, useSimpleRxn, rxnsToPrint, energyMesh, fluxDict, verbosity)
if verbosity:
key = backgroundXSDict.keys()[0]
numGroups = len(backgroundXSDict[key])
print 'Number of groups is', numGroups
def create_ace_copier(aceFilesDict):
'''Create a script that copies the ACE files to xdata'''
dirDict = get_common_directories()
scriptname = 'copyAce.sh'
runDirr = dirDict['xdata']
scriptPath = os.path.join(runDirr, scriptname)
#
deck = []
deck.append(["#! /usr/bin/env bash"])
deck.append([""])
deck.append(["echo 'Copying ACE XS data'"])
for nuclide in sorted(aceFilesDict):
for aceFile in sorted(aceFilesDict[nuclide]):
deck.append(["cp -f ../{}/{} .".format(nuclide, aceFile)])
deck.append([""])
deck.append(["echo 'Copying ACE directory data'"])
deck.append(["rm -f xsdir_tail"])
for nuclide in sorted(aceFilesDict):
for aceFile in sorted(aceFilesDict[nuclide]):
aceFileDir = 'xsdir.{}'.format(aceFile)
deck.append(["awk '{{$3=\"{}\"; $4=\"0\"; print }}' ../{}/{} >> xsdir_tail".format(aceFile, nuclide, aceFileDir)])
deck.append(["echo '{}' > xsdir_date".format(datetime.strftime(datetime.now(), '%m/%d/%Y'))])
deck.append(["echo 'directory' >> xsdir_date"])
deck.append(["cat xsdir_head xsdir_date xsdir_tail > xsdir"])
deck.append([""])
deck.append(["echo 'Copying ACE figures'"])
for nuclide in sorted(aceFilesDict):
for aceFile in sorted(aceFilesDict[nuclide]):
plotName = 'p_xs_{}.pdf'.format(aceFile)
deck.append(["cp -f ../{}/{} figures".format(nuclide, plotName)])
print_njoy_file(scriptPath, deck)
def finish_parsing_inputs(inputDict):
dirDict = get_common_directories()
if inputDict['mesh'] in ['none', 'None']:
inputDict['mesh'] = None
inputDict['fluxes'] = None
else:
if not inputDict['mesh'].count('.'):
inputDict['mesh'] += '.txt'
if not inputDict['fluxes'].count('.'):
inputDict['fluxes'] += '.txt'
if not os.path.split(inputDict['mesh'])[0]:
inputDict['mesh'] = os.path.join(dirDict['dat/energy_groups'],
inputDict['mesh'])
if not os.path.split(inputDict['fluxes'])[0]:
inputDict['fluxes'] = os.path.join(dirDict['dat/indicators'],
inputDict['fluxes'])
if not (inputDict['njoy'] or inputDict['bondarenko']):
inputDict['njoy'] = True
inputDict['materialslist'] = set(inputDict['materialslist'])
if inputDict['energybounds'][1] > 2E7:
print 'Current ENDF data does not exist above 20 MeV. Changing energy upperbound to this value.'
inputDict['energybounds'][1] = 2E7
inputDict['energybounds'][0] = max(0, inputDict['energybounds'][0])
if inputDict['verbosity'] > 1:
print inputDict
inputDict['finishedParsing'] = True
def populate_directories(dataDict):
'''Add directory entries to dataDict'''
# Inputs
dirDict = get_common_directories()
# Outputs
dataDict['indicatorsDatDirr'] = dirDict['dat/indicators']
dataDict['energyDatDirr'] = dirDict['dat/energy_groups']
dataDict['plotDirr'] = dirDict['figures/clustering']
def define_input_parser():
dirDict = get_common_directories()
pyDirr = dirDict['src']
groupDirr = dirDict['dat/energy_groups']
parser = argparse.ArgumentParser(description='Group structure specification functions.', formatter_class=argparse.ArgumentDefaultsHelpFormatter)
# If nothing is specified, verbosity is False. If -v or --verbose is specified, verbosity is 1. If -v N is specified, verbosity is N.
parser.add_argument('-v', '--verbose', dest='verbosity', nargs='?', const=1, default=0, choices=[0,1,2,3,4], type=int)
parser.add_argument('-i', '--inputdir', dest='inDirr', help='Input directory with MG library specifications', default=groupDirr)
parser.add_argument('-I', '--inputname', dest='inName', help='Name of MG library to start with.', default='energy_in_default.txt')
parser.add_argument('-o', '--outputdir', dest='outDirr', help='Output directory.', default=groupDirr)
parser.add_argument('-O', '--outname', dest='outName', help="Short name for output files. A value of 'none' means do not print", default='custom')
parser.add_argument('-d', '--defaultuse', dest='useDefault', help="Use a pre-defined input scheme. If not 'none', overrides 'rangeresolved,' 'finelethargyspacing,' and 'outname.'", choices=['none', 'low', 'med', 'high'], default='none')
parser.add_argument('-r', '--rangeresolved', dest='resolvedRange', help='The resolved resonance range to be refined (energies in eV). If multiple ranges are desired, this program may be run multiple times.', nargs=2, type=float, default=[3.0, 1000.0])
parser.add_argument('-R', '--rangefull', dest='fullRange', help='The full energy range for the group structure.', nargs=2, type=float, default=[1e-5, 2e7])
parser.add_argument('-e', '--noextend', dest='noExtend', help="If specified, do not crop to 'rangefull.'", action='store_true', default=False)
energyMeshGroup = parser.add_argument_group('Number of groups specification', 'If both number of groups and lethargy spacing are provided, the finer of the two is used.')
energyMeshGroup.add_argument('-g', '--groups', help='Total number of groups to use.', type=int, default=1)
energyMeshGroup.add_argument('-f', '--finelethargyspacing', dest='fineLethargySpacing', help='Lethargy spacing to use inside the resolve resonance region.', type=float, default=1e4)
energyMeshGroup.add_argument('-b', '--boundarylethargyspacing', dest='boundaryLethargySpacing', help='Lethargy spacing for the boundary between resolved and unresolved resonance regions. The boundary acts as a buffer for downscattering from medium-to-heavy nuclei so the two regions do not see each other directly. Use a value of 0 for no buffer.', type=float, default=0.3)
return parser
def create_njoy_driver(pendfScriptPaths, gendfScriptPaths, aceScriptPaths):
'''Create a driver script to run all the NJOY calculations in parallel'''
dirDict = get_common_directories()
runDirr = dirDict['xs']
#
pendfJobFile = 'runPendf.txt'
pendfJobPath = os.path.join(runDirr, pendfJobFile)
pendfDriverFile = 'RunPendf.sh'
pendfDriverPath = os.path.join(runDirr, pendfDriverFile)
pendfDirrs = [os.path.dirname(path) for path in pendfScriptPaths]
relPathsPendfRun = [os.path.relpath(path, runDirr) for path in pendfDirrs]
pendfScriptName = './{0}'.format(os.path.split(pendfScriptPaths[0])[-1])
write_job_file(pendfJobPath, pendfScriptName, relPathsPendfRun)
write_job_driver(pendfDriverPath, pendfJobFile)
#
gendfJobFile = 'runGendf.txt'
gendfJobPath = os.path.join(runDirr, gendfJobFile)
gendfDriverFile = 'RunGendf.sh'
gendfDriverPath = os.path.join(runDirr, gendfDriverFile)
gendfDirrs = [os.path.dirname(path) for path in gendfScriptPaths]
relPathsPendfRun = [os.path.relpath(path, runDirr) for path in gendfDirrs]
gendfScriptName = './{0}'.format(os.path.split(gendfScriptPaths[0])[-1])
write_job_file(gendfJobPath, gendfScriptName, relPathsPendfRun)
write_job_driver(gendfDriverPath, gendfJobFile)
#
aceJobFile = 'runAce.txt'
aceJobPath = os.path.join(runDirr, aceJobFile)
aceDriverFile = 'RunAce.sh'
aceDriverPath = os.path.join(runDirr, aceDriverFile)
aceDirrs = [os.path.dirname(path) for path in aceScriptPaths]
relPathsPendfRun = [os.path.relpath(path, runDirr) for path in aceDirrs]
aceScriptName = './{0}'.format(os.path.split(aceScriptPaths[0])[-1])
write_job_file(aceJobPath, aceScriptName, relPathsPendfRun)
write_job_driver(aceDriverPath, aceJobFile)
#
driverDriverFile = 'RunNJOY.sh'
driverDriverPath = os.path.join(runDirr, driverDriverFile)
driversToDrive = [pendfDriverFile, gendfDriverFile, aceDriverFile]
driversToDrive = ['./{0}'.format(driver) for driver in driversToDrive]
write_driver_driver(driverDriverPath, driversToDrive,
'Run ENDF -> PENDF -> GENDF / ACE in 2 steps.')
def perform_bondarenko_iterations(inputDict, materials, verbosity):
'''Driver for Bondarenko iterations'''
maxIterations = inputDict['numberiterationsmax']
maxError = inputDict['errormax']
useSimpleRxn = inputDict['simplereactions']
scatMatrixFormat = inputDict['format']
rxnsToPrint = inputDict['printopt']
energyMeshPath = inputDict['mesh']
fluxBasePath = inputDict['fluxes']
#
dirDict = get_common_directories()
rootDirr = dirDict['gendf']
outDirr = dirDict['pdtxs']
#
energyMesh = None
if energyMeshPath is not None:
energyMesh = np.loadtxt(energyMeshPath,
dtype=np.int,
skiprows=2,
usecols=[0])[:-1]
numElements = len(np.unique(energyMesh))
energyMeshFilenameOut = 'mesh_{0}.txt'.format(numElements)
energyMeshPathOut = os.path.join(outDirr, energyMeshFilenameOut)
shutil.copy2(energyMeshPath, energyMeshPathOut)
#
if verbosity:
print '------- Bondarenko -------'
fluxDict = read_fluxes(fluxBasePath, materials)
for material in materials:
backgroundXSDict = iterate_one_material(rootDirr, material, maxError,
maxIterations, energyMesh,
fluxDict, verbosity)
if maxIterations < 0:
unset_background_xs_dict(material, backgroundXSDict, verbosity)
print_one_material(rootDirr, outDirr, material, backgroundXSDict,
scatMatrixFormat, useSimpleRxn, rxnsToPrint,
energyMesh, fluxDict, verbosity)
if verbosity:
key = backgroundXSDict.keys()[0]
numGroups = len(backgroundXSDict[key])
print 'Number of groups is', numGroups
def create_njoy_driver(pendfScriptPaths, gendfScriptPaths, aceScriptPaths):
'''Create a driver script to run all the NJOY calculations in parallel'''
dirDict = get_common_directories()
runDirr = dirDict['xs']
#
pendfJobFile = 'runPendf.txt'
pendfJobPath = os.path.join(runDirr, pendfJobFile)
pendfDriverFile = 'RunPendf.sh'
pendfDriverPath = os.path.join(runDirr, pendfDriverFile)
pendfDirrs = [os.path.dirname(path) for path in pendfScriptPaths]
relPathsPendfRun = [os.path.relpath(path, runDirr) for path in pendfDirrs]
pendfScriptName = './{0}'.format(os.path.split(pendfScriptPaths[0])[-1])
write_job_file(pendfJobPath, pendfScriptName, relPathsPendfRun)
write_job_driver(pendfDriverPath, pendfJobFile)
#
gendfJobFile = 'runGendf.txt'
gendfJobPath = os.path.join(runDirr, gendfJobFile)
gendfDriverFile = 'RunGendf.sh'
gendfDriverPath = os.path.join(runDirr, gendfDriverFile)
gendfDirrs = [os.path.dirname(path) for path in gendfScriptPaths]
relPathsPendfRun = [os.path.relpath(path, runDirr) for path in gendfDirrs]
gendfScriptName = './{0}'.format(os.path.split(gendfScriptPaths[0])[-1])
write_job_file(gendfJobPath, gendfScriptName, relPathsPendfRun)
write_job_driver(gendfDriverPath, gendfJobFile)
#
aceJobFile = 'runAce.txt'
aceJobPath = os.path.join(runDirr, aceJobFile)
aceDriverFile = 'RunAce.sh'
aceDriverPath = os.path.join(runDirr, aceDriverFile)
aceDirrs = [os.path.dirname(path) for path in aceScriptPaths]
relPathsPendfRun = [os.path.relpath(path, runDirr) for path in aceDirrs]
aceScriptName = './{0}'.format(os.path.split(aceScriptPaths[0])[-1])
write_job_file(aceJobPath, aceScriptName, relPathsPendfRun)
write_job_driver(aceDriverPath, aceJobFile)
#
driverDriverFile = 'RunNJOY.sh'
driverDriverPath = os.path.join(runDirr, driverDriverFile)
driversToDrive = [pendfDriverFile, gendfDriverFile, aceDriverFile]
driversToDrive = ['./{0}'.format(driver) for driver in driversToDrive]
write_driver_driver(driverDriverPath, driversToDrive, 'Run ENDF -> PENDF -> GENDF / ACE in 2 steps.')
def get_union_parameters(materials, globalTDict, globalBXSDict, globalTXSDict, useBXS=False, verbosity=False):
# Sab is for S(alpha,beta), the free/bound thermal treatment used by each nuclide
globalZASabList = get_union_sab_nuclide_list(materials)
globalZAList = get_union_nuclide_list(materials)
globalZList = get_union_element_list(materials)
#
check_unique_short_names(materials, verbosity)
#
potXSDict = {}
dirDict = get_common_directories()
get_endf_files(globalZAList, dirDict, potXSDict, useBXS, verbosity)
get_thermal_endf_files(globalZASabList, dirDict, verbosity)
#
get_global_temperature_dict(globalZASabList, materials, globalTDict)
#
calc_background_xs(materials, potXSDict, useBXS)
get_global_background_xs_dict(globalZASabList, materials, globalBXSDict)
#
get_global_thermal_xs_dict(globalZASabList, materials, globalTXSDict)
#
#
return globalZASabList, globalZAList, globalZList
def create_ace_copier(aceFilesDict):
'''Create a script that copies the ACE files to xdata'''
dirDict = get_common_directories()
scriptname = 'copyAce.sh'
runDirr = dirDict['xdata']
scriptPath = os.path.join(runDirr, scriptname)
#
deck = []
deck.append(["#! /usr/bin/env bash"])
deck.append([""])
deck.append(["echo 'Copying ACE XS data'"])
for nuclide in sorted(aceFilesDict):
for aceFile in sorted(aceFilesDict[nuclide]):
deck.append(["cp -f ../{}/{} .".format(nuclide, aceFile)])
deck.append([""])
deck.append(["echo 'Copying ACE directory data'"])
deck.append(["rm -f xsdir_tail"])
for nuclide in sorted(aceFilesDict):
for aceFile in sorted(aceFilesDict[nuclide]):
aceFileDir = 'xsdir.{}'.format(aceFile)
deck.append([
"awk '{{$3=\"{}\"; $4=\"0\"; print }}' ../{}/{} >> xsdir_tail".
format(aceFile, nuclide, aceFileDir)
])
deck.append([
"echo '{}' > xsdir_date".format(
datetime.strftime(datetime.now(), '%m/%d/%Y'))
])
deck.append(["echo 'directory' >> xsdir_date"])
deck.append(["cat xsdir_head xsdir_date xsdir_tail > xsdir"])
deck.append([""])
deck.append(["echo 'Copying ACE figures'"])
for nuclide in sorted(aceFilesDict):
for aceFile in sorted(aceFilesDict[nuclide]):
plotName = 'p_xs_{}.pdf'.format(aceFile)
deck.append(["cp -f ../{}/{} figures".format(nuclide, plotName)])
print_njoy_file(scriptPath, deck)
def finish_parsing_inputs(inputDict):
dirDict = get_common_directories()
if inputDict['mesh'] in ['none', 'None']:
inputDict['mesh'] = None
inputDict['fluxes'] = None
else:
if not inputDict['mesh'].count('.'):
inputDict['mesh'] += '.txt'
if not inputDict['fluxes'].count('.'):
inputDict['fluxes'] += '.txt'
if not os.path.split(inputDict['mesh'])[0]:
inputDict['mesh'] = os.path.join(dirDict['dat/energy_groups'], inputDict['mesh'])
if not os.path.split(inputDict['fluxes'])[0]:
inputDict['fluxes'] = os.path.join(dirDict['dat/indicators'], inputDict['fluxes'])
if not(inputDict['njoy'] or inputDict['bondarenko']):
inputDict['njoy'] = True
inputDict['materialslist'] = set(inputDict['materialslist'])
if inputDict['energybounds'][1] > 2E7:
print 'Current ENDF data does not exist above 20 MeV. Changing energy upperbound to this value.'
inputDict['energybounds'][1] = 2E7
inputDict['energybounds'][0] = max(0, inputDict['energybounds'][0])
if inputDict['verbosity'] > 1:
print inputDict
inputDict['finishedParsing'] = True
'''
Andrew Till
Summer 2014
NJOY utilities for materials
'''
#MINE
from directories import get_common_directories
#STDLIB
import os
import sys
import shutil
import copy
sys.path.insert(1, get_common_directories()['nuclideData'])
#TPL
import numpy as np
import nuclide_data as nd
#MINE
from Readgroupr import get_short2mt_dict, get_endf_mt_list
import materials_util as util
import write_njoy as njoy
import makegroups as mg
def create_njoy_decks(inputDict, globalZASabList, njoyTDict, njoyBXSDict, globalTXSDict, verbosity=False):
endfLib = 'vii1'
legendreOrder = inputDict['legendreorder']
groupOpt = inputDict['groupopt']
ignoreTransferMatrices = inputDict['smallscattering']
BNL's non-thermal neutron data files can sometimes be bad (will produce garbage when processed with NJOY).
The code uses the most up-to-date data while requiring consistency.
Hence, automatic downloads of the non-thermal neutron data from LANL T2
and automatic downloads of the bound-thermal neutron data from BNL.
A copy of the bound-thermal neutron data from BNL is included locally in case BNL changes its URL's.
'''
#MINE
from directories import get_common_directories, copy_thermal_endf_xs, make_endf_directory
#STDLIB
import os
import sys
import shutil
from subprocess import check_output
sys.path.insert(1, get_common_directories()['nuclideData'])
#TPL
import nuclide_data as nd
#MINE
from Readgroupr import get_pot_scat_xs
import materials_util as util
###############################################################################
def get_endf_files(ZAList, dirDict, potXSDict, useBXS=False, verbosity=False):
if verbosity > 1:
print '------- ENDF Files -------'
make_endf_directory()
endfDirr = dirDict['endf']
def create_njoy_script(dat, tapes):
'''Create three NJOY files: one to generate a PENDF output, one to generate a GENDF output, and one to generate an ACE output'''
#Directories
dirDict = get_common_directories()
pyDirr = dirDict['src']
endfDirr = dirDict['endf']
pendfRootDirr = dirDict['pendf']
gendfRootDirr = dirDict['gendf']
aceRootDirr = dirDict['ace']
njoyPath = os.path.join(dirDict['njoyInstall'], 'xnjoy_thermr')
#
pendfDirr = os.path.join(pendfRootDirr, str(dat.nuclideName))
gendfDirr = os.path.join(gendfRootDirr, str(dat.nuclideName))
aceDirr = os.path.join(aceRootDirr, str(dat.nuclideName))
#
relPathNJOYPendf = os.path.relpath(njoyPath, pendfDirr)
relPathNJOYGendf = os.path.relpath(njoyPath, gendfDirr)
relPathNJOYAce = os.path.relpath(njoyPath, aceDirr)
#
endfPath = os.path.join(endfDirr, dat.endfFile)
relPathEndfPendf = os.path.relpath(endfPath, pendfDirr)
relPathEndfGendf = os.path.relpath(endfPath, gendfDirr)
relPathEndfAce = os.path.relpath(endfPath, aceDirr)
#
numThermals = len(dat.endfThermalFileList)
numTemperatures = len(dat.thermList)
pendfOutTape = get_pendf_out_tape(tapes, numThermals)
endfThermalPathList = [
os.path.join(endfDirr, thermalFile)
for thermalFile in dat.endfThermalFileList if thermalFile
]
relPathThermalPendfList = [
os.path.relpath(thermalPath, pendfDirr)
for thermalPath in endfThermalPathList
]
endfThermalTapeList = map(lambda x: x + tapes.endfThermalStart,
range(numThermals))
endfNonFreeThermalTapeList = [
tape for (mt, tape) in zip(dat.inelasticMTList, endfThermalTapeList)
if mt != 221
]
#
pendfScriptFile = 'runNJOY.sh'
pendfScriptPath = os.path.join(pendfDirr, pendfScriptFile)
pendfFile = 'pendf'
pendfFileASCII = 'pendf_ascii.txt'
pendfPath = os.path.join(pendfDirr, pendfFile)
#
gendfScriptFile = 'runNJOY.sh'
gendfScriptPath = os.path.join(gendfDirr, gendfScriptFile)
gendfFile = 'gendf'
gendfPath = os.path.join(gendfDirr, gendfFile)
relPathPendfGendf = os.path.relpath(pendfPath, gendfDirr)
readgrouprPath = os.path.join(pyDirr, 'Readgroupr.py')
#
matxsFile = 'matxs'
matxsDir = '/scratch/yunhuang/barnfire/xs/cert_matxs'
#
aceScriptFile = 'runNJOY.sh'
aceScriptPath = os.path.join(aceDirr, aceScriptFile)
aceFileTemplate = '{Z}{A:03}.{e}{s}c'
relPathPendfAce = os.path.relpath(pendfPath, aceDirr)
# Script to run NJOY from ENDF to PENDF:
deck = []
deck.append(['#! /usr/bin/env bash'])
deck.append([
"echo 'NJOY Problem {0} {1} (ENDF to PENDF)'".format(
dat.nuclideName, dat.endfName)
])
deck.append(["echo 'Getting ENDF input tapes and NJOY executable'"])
deck.append(['ln -fs {0} xnjoy'.format(relPathNJOYPendf)])
deck.append(
['ln -fs {0} tape{1:02g}'.format(relPathEndfPendf, tapes.endf)])
for endfTape, relPath in zip(endfNonFreeThermalTapeList,
relPathThermalPendfList):
deck.append(['ln -fs {0} tape{1:02g}'.format(relPath, endfTape)])
deck.append(["echo 'Running NJOY'"])
deck.append(['cat>input <<EOF'])
create_moder_input(deck, dat, tapes.endf, tapes.bendf)
create_reconr_input(deck, dat, tapes.bendf, tapes.reconrOut)
create_broadr_input(deck, dat, tapes.bendf, tapes.reconrOut,
tapes.broadrOut)
# Warning: 9547 (Am-242m) and (Np-238) have negative values here sometimes for low Sigma_0
create_unresr_input(deck, dat, tapes.bendf, tapes.broadrOut,
tapes.unresrOut)
create_heatr_input(deck, dat, tapes.bendf, tapes.unresrOut, tapes.heatrOut)
for i, endfThermal in enumerate(endfThermalTapeList):
thermrInTape, thermrOutTape = get_thermr_tapes(tapes, i)
if dat.inelasticMTList[i] == 221:
endfThermal = 0
create_thermr_input(deck, dat, i, endfThermal, thermrInTape,
thermrOutTape)
create_moder_input(deck, dat, pendfOutTape, tapes.pendfOutASCII)
deck.append(['stop'])
deck.append(['EOF'])
deck.append(['./xnjoy<input'])
deck.append(["echo 'Cleaning up and saving PENDF file'"])
deck.append(['cp -f tape{0:02g} {1}'.format(abs(pendfOutTape), pendfFile)])
deck.append(
['cp -f tape{0:02g} {1}'.format(tapes.pendfOutASCII, pendfFileASCII)])
deck.append(['rm -f xnjoy'])
tapeNamesToRemove = ' '.join(
get_temporary_tapes_pendf(tapes, endfNonFreeThermalTapeList,
numThermals))
deck.append(['rm -f {0}'.format(tapeNamesToRemove)])
try_mkdir(pendfDirr)
print_njoy_file(pendfScriptPath, deck)
# Script to run NJOY from PENDF to MATXS:
doPlotr = False
deck = []
deck.append(["#! /usr/bin/env bash"])
deck.append([
"echo 'NJOY Problem {0} {1} (PENDF to GENDF)'".format(
dat.nuclideName, dat.endfName)
])
deck.append([
"echo 'Getting ENDF input tape, PENDF input tape and NJOY executable'"
])
deck.append(['ln -fs {0} xnjoy'.format(relPathNJOYGendf)])
deck.append(
['ln -fs {0} tape{1:02g}'.format(relPathEndfGendf, tapes.endf)])
deck.append([
'ln -fs {0} tape{1:02g}'.format(relPathPendfGendf, abs(pendfOutTape))
])
deck.append(["echo 'Running NJOY'"])
deck.append(["cat>input <<EOF"])
create_moder_input(deck, dat, tapes.endf, tapes.bendf)
dat.hasDelayedNu, dat.hasDelayedChis = hasDelayed(endfPath)
create_groupr_input(deck, dat, tapes.bendf, pendfOutTape, tapes.grouprIn,
tapes.grouprOut)
create_moder_input(deck, dat, tapes.grouprOut,
tapes.gendfOut) # get GENDF in ASCII for record
create_matxsr_input(deck, dat, tapes.gendfOut, tapes.gaminrOut,
tapes.matxsOut)
# It seems MODER is not needed after MATXSR
# create_moder_input(deck, dat, tapes.matxsOut, tapes.gendfOut)
if False and dat.numGroups <= 200:
doPlotr = True
plotNames = create_plotr_inputs(deck, dat, tapes.gendfOut,
tapes.plotrOut, tapes.viewrOut)
deck.append(['stop'])
deck.append(["EOF"])
deck.append(["./xnjoy<input"])
deck.append(["echo 'Cleaning up, saving GROUPR and MATXS file'"])
if doPlotr:
for plotName, viewrOut in zip(plotNames, tapes.viewrOut):
deck.append(['ps2pdf tape{0:02g} {1}'.format(viewrOut, plotName)])
deck.append(['cp -f tape{0:02g} {1}'.format(tapes.gendfOut, gendfFile)])
deck.append(['cp -f tape{0:02g} {1}'.format(tapes.matxsOut, matxsFile)])
deck.append(['cp -f matxs {0}/{1}.dat'.format(matxsDir, dat.nuclideName)])
deck.append(['rm -f xnjoy'])
tapeNamesToRemove = ' '.join(
get_temporary_tapes_gendf(tapes, pendfOutTape, doPlotr))
deck.append(['rm -f {0}'.format(tapeNamesToRemove)])
optionalComment = ''
if True and dat.numGroups > 200:
optionalComment = '#'
# deck.append(["{0}echo 'Reading in XS file and pickling for future use'".format(optionalComment)])
# deck.append(['{0} {1} -I {2} -p all -f csc'.format(optionalComment, readgrouprPath, gendfFile)])
try_mkdir(gendfDirr)
print_njoy_file(gendfScriptPath, deck)
# Script to run NJOY from PENDF to (non-thermal) ACE:
deck = []
deck.append(["#! /usr/bin/env bash"])
deck.append([
"echo 'NJOY Problem {0} {1} (PENDF to ACE)'".format(
dat.nuclideName, dat.endfName)
])
deck.append([
"echo 'Getting ENDF input tape, PENDF input tape and NJOY executable'"
])
deck.append(['ln -fs {0} xnjoy'.format(relPathNJOYAce)])
deck.append(['ln -fs {0} tape{1:02g}'.format(relPathEndfAce, tapes.endf)])
deck.append(
['ln -fs {0} tape{1:02g}'.format(relPathPendfAce, abs(pendfOutTape))])
deck.append(["echo 'Running NJOY'"])
deck.append(["cat>input <<EOF"])
create_moder_input(deck, dat, tapes.endf, tapes.bendf)
if dat.usePURR:
create_purr_input(deck, dat, tapes.bendf, pendfOutTape, tapes.purrOut)
else:
create_moder_input(deck, dat, pendfOutTape, tapes.purrOut)
deck.append(['stop'])
deck.append(["EOF"])
deck.append(["./xnjoy<input"])
for iT in range(numTemperatures):
# Do multiple calls to NJOY (bug in NJOY somewhere)
deck.append(["cat>input <<EOF"])
create_acer_input(deck, dat, tapes.bendf, tapes.purrOut,
tapes.aceStart, tapes.aceXSDirStart, iT)
create_acer_visualization_input(deck, dat, tapes.aceStart,
tapes.acerViewStart,
tapes.viewrAceStart, iT)
deck.append(['stop'])
deck.append(["EOF"])
deck.append(["./xnjoy<input"])
deck.append(["echo 'Cleaning up and saving ACE files'"])
aceFiles = []
aceCERTDir = '/scratch/yunhuang/barnfire/xs/cert_ace'
for i in range(numTemperatures):
tapeAceOut, tapeXSDirOut, viewrOut = tapes.aceStart + i, tapes.aceXSDirStart + i, tapes.viewrAceStart + i
aceFile = aceFileTemplate.format(A=dat.A, Z=dat.Z, s=i, e=dat.aceExt)
aceFiles.append(aceFile)
aceFileDir = 'xsdir.{}'.format(aceFile)
plotName = 'p_xs_{}.pdf'.format(aceFile)
deck.append(['cp -f tape{0:02g} {1}'.format(tapeAceOut, aceFile)])
deck.append(['cp -f tape{0:02g} {1}'.format(tapeXSDirOut, aceFileDir)])
deck.append(['cp -f {0} {1}/'.format(aceFile, aceCERTDir)])
deck.append(['cp -f {0} {1}/'.format(aceFileDir, aceCERTDir)])
deck.append(['ps2pdf tape{0:02g} {1}'.format(viewrOut, plotName)])
deck.append(['rm -f xnjoy'])
tapeNamesToRemove = ' '.join(
get_temporary_tapes_ace(tapes, pendfOutTape, [], numTemperatures,
True))
deck.append(['rm -f {0}'.format(tapeNamesToRemove)])
try_mkdir(aceDirr)
print_njoy_file(aceScriptPath, deck)
return pendfScriptPath, gendfScriptPath, aceScriptPath, aceFiles
def create_thermal_ace_njoy_script(dat, tapes):
'''Create NJOY file to generate a thermal ACE output. These are done for each thermal treatment and each temperature.'''
#Directories
dirDict = get_common_directories()
pyDirr = dirDict['src']
endfDirr = dirDict['endf']
pendfRootDirr = dirDict['pendf']
aceRootDirr = dirDict['ace']
njoyPath = os.path.join(dirDict['njoyInstall'], 'xnjoy_thermr') #using the latest patched NJOY2012
#
pendfDirr = os.path.join(pendfRootDirr, str(dat.nuclideName))
aceDirr = os.path.join(aceRootDirr, str(dat.thermalFileName))
#
pendfFile = 'pendf'
endfPath = os.path.join(endfDirr, dat.endfFile)
pendfPath = os.path.join(pendfDirr, pendfFile)
#
relPathNJOYAce = os.path.relpath(njoyPath, aceDirr)
relPathEndfAce = os.path.relpath(endfPath, aceDirr)
relPathPendfAce = os.path.relpath(pendfPath, aceDirr)
#
numThermals = len(dat.endfThermalFileList)
numTemperatures = len(dat.thermList)
pendfOutTape = get_pendf_out_tape(tapes, numThermals)
endfThermalPathList = [os.path.join(endfDirr, thermalFile) for
thermalFile in dat.endfThermalFileList if thermalFile]
relPathThermalAceList = [os.path.relpath(thermalPath, aceDirr) for
thermalPath in endfThermalPathList]
endfThermalTapeList = map(lambda x: x + tapes.endfThermalStart, range(numThermals))
endfNonFreeThermalTapeList = [tape for (mt,tape) in
zip(dat.inelasticMTList, endfThermalTapeList) if mt != 221]
#
aceScriptFile = 'runNJOY.sh'
aceScriptPath = os.path.join(aceDirr, aceScriptFile)
aceFileTemplate = '{H}.{e}{s}t'
# Script to run NJOY from PENDF to thermal ACE:
deck = []
deck.append(["#! /usr/bin/env bash"])
deck.append(["echo 'NJOY Problem {0} {1} (PENDF to thermal ACE)'".format(dat.thermalNuclideName, dat.endfName)])
deck.append(["echo 'Getting ENDF input tape, PENDF input tape and NJOY executable'"])
deck.append(['ln -fs {0} xnjoy'.format(relPathNJOYAce)])
deck.append(['ln -fs {0} tape{1:02g}'.format(relPathEndfAce, tapes.endf)])
deck.append(['ln -fs {0} tape{1:02g}'.format(relPathPendfAce, abs(pendfOutTape))])
for endfTape, relPath in zip(endfNonFreeThermalTapeList, relPathThermalAceList):
deck.append(['ln -fs {0} tape{1:02g}'.format(relPath, endfTape)])
deck.append(["echo 'Running NJOY'"])
deck.append(["cat>input <<EOF"])
create_moder_input(deck, dat, tapes.endf, tapes.bendf)
deck.append(['stop'])
deck.append(["EOF"])
deck.append(["./xnjoy<input"])
for iT in range(numTemperatures):
# Do multiple calls to NJOY (bug in NJOY somewhere)
deck.append(["cat>input <<EOF"])
create_thermal_acer_input(deck, dat, tapes.bendf, pendfOutTape, tapes.aceStart,
tapes.aceXSDirStart, iT)
create_acer_visualization_input(deck, dat, tapes.aceStart, tapes.acerViewStart,
tapes.viewrAceStart, iT)
deck.append(['stop'])
deck.append(["EOF"])
deck.append(["./xnjoy<input"])
deck.append(["echo 'Cleaning up and saving ACE files'"])
aceFiles = []
aceCERTDir = '/scratch/yunhuang/barnfire/xs/cert_ace'
for i in range(numTemperatures):
tapeAceOut, tapeXSDirOut, viewrOut = tapes.aceStart + i, tapes.aceXSDirStart + i, tapes.viewrAceStart + i
aceFile = aceFileTemplate.format(H=dat.thermalFileName, s=i, e=dat.aceExt)
aceFiles.append(aceFile)
aceFileDir = 'xsdir.{}'.format(aceFile)
plotName = 'p_xs_{}.pdf'.format(aceFile)
deck.append(['cp -f tape{0:02g} {1}'.format(tapeAceOut, aceFile)])
deck.append(['cp -f tape{0:02g} {1}'.format(tapeXSDirOut, aceFileDir)])
deck.append(['cp -f {0} {1}/'.format(aceFile, aceCERTDir)])
deck.append(['cp -f {0} {1}/'.format(aceFileDir, aceCERTDir)])
deck.append(['ps2pdf tape{0:02g} {1}'.format(viewrOut, plotName)])
deck.append(['rm -f xnjoy'])
tapeNamesToRemove = ' '.join(get_temporary_tapes_ace(tapes, pendfOutTape, endfNonFreeThermalTapeList, numTemperatures, False))
deck.append(['rm -f {0}'.format(tapeNamesToRemove)])
try_mkdir(aceDirr)
print_njoy_file(aceScriptPath, deck)
return aceScriptPath, aceFiles
def create_njoy_script(dat, tapes):
'''Create three NJOY files: one to generate a PENDF output, one to generate a GENDF output, and one to generate an ACE output'''
#Directories
dirDict = get_common_directories()
pyDirr = dirDict['src']
endfDirr = dirDict['endf']
pendfRootDirr = dirDict['pendf']
gendfRootDirr = dirDict['gendf']
aceRootDirr = dirDict['ace']
njoyPath = os.path.join(dirDict['njoyInstall'], 'xnjoy_thermr')
#
pendfDirr = os.path.join(pendfRootDirr, str(dat.nuclideName))
gendfDirr = os.path.join(gendfRootDirr, str(dat.nuclideName))
aceDirr = os.path.join(aceRootDirr, str(dat.nuclideName))
#
relPathNJOYPendf = os.path.relpath(njoyPath, pendfDirr)
relPathNJOYGendf = os.path.relpath(njoyPath, gendfDirr)
relPathNJOYAce = os.path.relpath(njoyPath, aceDirr)
#
endfPath = os.path.join(endfDirr, dat.endfFile)
relPathEndfPendf = os.path.relpath(endfPath, pendfDirr)
relPathEndfGendf = os.path.relpath(endfPath, gendfDirr)
relPathEndfAce = os.path.relpath(endfPath, aceDirr)
#
numThermals = len(dat.endfThermalFileList)
numTemperatures = len(dat.thermList)
pendfOutTape = get_pendf_out_tape(tapes, numThermals)
endfThermalPathList = [os.path.join(endfDirr, thermalFile) for
thermalFile in dat.endfThermalFileList if thermalFile]
relPathThermalPendfList = [os.path.relpath(thermalPath, pendfDirr) for
thermalPath in endfThermalPathList]
endfThermalTapeList = map(lambda x: x + tapes.endfThermalStart, range(numThermals))
endfNonFreeThermalTapeList = [tape for (mt,tape) in
zip(dat.inelasticMTList, endfThermalTapeList) if mt != 221]
#
pendfScriptFile = 'runNJOY.sh'
pendfScriptPath = os.path.join(pendfDirr, pendfScriptFile)
pendfFile = 'pendf'
pendfFileASCII = 'pendf_ascii.txt'
pendfPath = os.path.join(pendfDirr, pendfFile)
#
gendfScriptFile = 'runNJOY.sh'
gendfScriptPath = os.path.join(gendfDirr, gendfScriptFile)
gendfFile = 'gendf'
gendfPath = os.path.join(gendfDirr, gendfFile)
relPathPendfGendf = os.path.relpath(pendfPath, gendfDirr)
readgrouprPath = os.path.join(pyDirr, 'Readgroupr.py')
#
matxsFile = 'matxs'
matxsDir = '/scratch/yunhuang/barnfire/xs/cert_matxs'
#
aceScriptFile = 'runNJOY.sh'
aceScriptPath = os.path.join(aceDirr, aceScriptFile)
aceFileTemplate = '{Z}{A:03}.{e}{s}c'
relPathPendfAce = os.path.relpath(pendfPath, aceDirr)
# Script to run NJOY from ENDF to PENDF:
deck = []
deck.append(['#! /usr/bin/env bash'])
deck.append(["echo 'NJOY Problem {0} {1} (ENDF to PENDF)'".format(dat.nuclideName, dat.endfName)])
deck.append(["echo 'Getting ENDF input tapes and NJOY executable'"])
deck.append(['ln -fs {0} xnjoy'.format(relPathNJOYPendf)])
deck.append(['ln -fs {0} tape{1:02g}'.format(relPathEndfPendf, tapes.endf)])
for endfTape, relPath in zip(endfNonFreeThermalTapeList, relPathThermalPendfList):
deck.append(['ln -fs {0} tape{1:02g}'.format(relPath, endfTape)])
deck.append(["echo 'Running NJOY'"])
deck.append(['cat>input <<EOF'])
create_moder_input(deck, dat, tapes.endf, tapes.bendf)
create_reconr_input(deck, dat, tapes.bendf, tapes.reconrOut)
create_broadr_input(deck, dat, tapes.bendf, tapes.reconrOut, tapes.broadrOut)
# Warning: 9547 (Am-242m) and (Np-238) have negative values here sometimes for low Sigma_0
create_unresr_input(deck, dat, tapes.bendf, tapes.broadrOut, tapes.unresrOut)
create_heatr_input(deck, dat, tapes.bendf, tapes.unresrOut, tapes.heatrOut)
for i, endfThermal in enumerate(endfThermalTapeList):
thermrInTape, thermrOutTape = get_thermr_tapes(tapes, i)
if dat.inelasticMTList[i] == 221:
endfThermal = 0
create_thermr_input(deck, dat, i, endfThermal, thermrInTape, thermrOutTape)
create_moder_input(deck, dat, pendfOutTape, tapes.pendfOutASCII)
deck.append(['stop'])
deck.append(['EOF'])
deck.append(['./xnjoy<input'])
deck.append(["echo 'Cleaning up and saving PENDF file'"])
deck.append(['cp -f tape{0:02g} {1}'.format(abs(pendfOutTape), pendfFile)])
deck.append(['cp -f tape{0:02g} {1}'.format(tapes.pendfOutASCII, pendfFileASCII)])
deck.append(['rm -f xnjoy'])
tapeNamesToRemove = ' '.join(get_temporary_tapes_pendf(tapes, endfNonFreeThermalTapeList, numThermals))
deck.append(['rm -f {0}'.format(tapeNamesToRemove)])
try_mkdir(pendfDirr)
print_njoy_file(pendfScriptPath, deck)
# Script to run NJOY from PENDF to MATXS:
doPlotr = False
deck = []
deck.append(["#! /usr/bin/env bash"])
deck.append(["echo 'NJOY Problem {0} {1} (PENDF to GENDF)'".format(dat.nuclideName, dat.endfName)])
deck.append(["echo 'Getting ENDF input tape, PENDF input tape and NJOY executable'"])
deck.append(['ln -fs {0} xnjoy'.format(relPathNJOYGendf)])
deck.append(['ln -fs {0} tape{1:02g}'.format(relPathEndfGendf, tapes.endf)])
deck.append(['ln -fs {0} tape{1:02g}'.format(relPathPendfGendf, abs(pendfOutTape))])
deck.append(["echo 'Running NJOY'"])
deck.append(["cat>input <<EOF"])
create_moder_input(deck, dat, tapes.endf, tapes.bendf)
dat.hasDelayedNu, dat.hasDelayedChis = hasDelayed(endfPath)
create_groupr_input(deck, dat, tapes.bendf, pendfOutTape, tapes.grouprIn, tapes.grouprOut)
create_moder_input(deck, dat, tapes.grouprOut, tapes.gendfOut) # get GENDF in ASCII for record
create_matxsr_input(deck, dat, tapes.gendfOut, tapes.gaminrOut, tapes.matxsOut)
# It seems MODER is not needed after MATXSR
# create_moder_input(deck, dat, tapes.matxsOut, tapes.gendfOut)
if False and dat.numGroups <= 200:
doPlotr = True
plotNames = create_plotr_inputs(deck, dat, tapes.gendfOut, tapes.plotrOut, tapes.viewrOut)
deck.append(['stop'])
deck.append(["EOF"])
deck.append(["./xnjoy<input"])
deck.append(["echo 'Cleaning up, saving GROUPR and MATXS file'"])
if doPlotr:
for plotName, viewrOut in zip(plotNames, tapes.viewrOut):
deck.append(['ps2pdf tape{0:02g} {1}'.format(viewrOut, plotName)])
deck.append(['cp -f tape{0:02g} {1}'.format(tapes.gendfOut, gendfFile)])
deck.append(['cp -f tape{0:02g} {1}'.format(tapes.matxsOut, matxsFile)])
deck.append(['cp -f matxs {0}/{1}.dat'.format(matxsDir, dat.nuclideName)])
deck.append(['rm -f xnjoy'])
tapeNamesToRemove = ' '.join(get_temporary_tapes_gendf(tapes, pendfOutTape, doPlotr))
deck.append(['rm -f {0}'.format(tapeNamesToRemove)])
optionalComment = ''
if True and dat.numGroups > 200:
optionalComment = '#'
# deck.append(["{0}echo 'Reading in XS file and pickling for future use'".format(optionalComment)])
# deck.append(['{0} {1} -I {2} -p all -f csc'.format(optionalComment, readgrouprPath, gendfFile)])
try_mkdir(gendfDirr)
print_njoy_file(gendfScriptPath, deck)
# Script to run NJOY from PENDF to (non-thermal) ACE:
deck = []
deck.append(["#! /usr/bin/env bash"])
deck.append(["echo 'NJOY Problem {0} {1} (PENDF to ACE)'".format(dat.nuclideName, dat.endfName)])
deck.append(["echo 'Getting ENDF input tape, PENDF input tape and NJOY executable'"])
deck.append(['ln -fs {0} xnjoy'.format(relPathNJOYAce)])
deck.append(['ln -fs {0} tape{1:02g}'.format(relPathEndfAce, tapes.endf)])
deck.append(['ln -fs {0} tape{1:02g}'.format(relPathPendfAce, abs(pendfOutTape))])
deck.append(["echo 'Running NJOY'"])
deck.append(["cat>input <<EOF"])
create_moder_input(deck, dat, tapes.endf, tapes.bendf)
if dat.usePURR:
create_purr_input(deck, dat, tapes.bendf, pendfOutTape, tapes.purrOut)
else:
create_moder_input(deck, dat, pendfOutTape, tapes.purrOut)
deck.append(['stop'])
deck.append(["EOF"])
deck.append(["./xnjoy<input"])
for iT in range(numTemperatures):
# Do multiple calls to NJOY (bug in NJOY somewhere)
deck.append(["cat>input <<EOF"])
create_acer_input(deck, dat, tapes.bendf, tapes.purrOut, tapes.aceStart,
tapes.aceXSDirStart, iT)
create_acer_visualization_input(deck, dat, tapes.aceStart, tapes.acerViewStart,
tapes.viewrAceStart, iT)
deck.append(['stop'])
deck.append(["EOF"])
deck.append(["./xnjoy<input"])
deck.append(["echo 'Cleaning up and saving ACE files'"])
aceFiles = []
aceCERTDir = '/scratch/yunhuang/barnfire/xs/cert_ace'
for i in range(numTemperatures):
tapeAceOut, tapeXSDirOut, viewrOut = tapes.aceStart + i, tapes.aceXSDirStart + i, tapes.viewrAceStart + i
aceFile = aceFileTemplate.format(A=dat.A, Z=dat.Z, s=i, e=dat.aceExt)
aceFiles.append(aceFile)
aceFileDir = 'xsdir.{}'.format(aceFile)
plotName = 'p_xs_{}.pdf'.format(aceFile)
deck.append(['cp -f tape{0:02g} {1}'.format(tapeAceOut, aceFile)])
deck.append(['cp -f tape{0:02g} {1}'.format(tapeXSDirOut, aceFileDir)])
deck.append(['cp -f {0} {1}/'.format(aceFile, aceCERTDir)])
deck.append(['cp -f {0} {1}/'.format(aceFileDir, aceCERTDir)])
deck.append(['ps2pdf tape{0:02g} {1}'.format(viewrOut, plotName)])
deck.append(['rm -f xnjoy'])
tapeNamesToRemove = ' '.join(get_temporary_tapes_ace(tapes, pendfOutTape, [], numTemperatures, True))
deck.append(['rm -f {0}'.format(tapeNamesToRemove)])
try_mkdir(aceDirr)
print_njoy_file(aceScriptPath, deck)
return pendfScriptPath, gendfScriptPath, aceScriptPath, aceFiles
def create_thermal_ace_njoy_script(dat, tapes):
'''Create NJOY file to generate a thermal ACE output. These are done for each thermal treatment and each temperature.'''
#Directories
dirDict = get_common_directories()
pyDirr = dirDict['src']
endfDirr = dirDict['endf']
pendfRootDirr = dirDict['pendf']
aceRootDirr = dirDict['ace']
njoyPath = os.path.join(dirDict['njoyInstall'],
'xnjoy_thermr') #using the latest patched NJOY2012
#
pendfDirr = os.path.join(pendfRootDirr, str(dat.nuclideName))
aceDirr = os.path.join(aceRootDirr, str(dat.thermalFileName))
#
pendfFile = 'pendf'
endfPath = os.path.join(endfDirr, dat.endfFile)
pendfPath = os.path.join(pendfDirr, pendfFile)
#
relPathNJOYAce = os.path.relpath(njoyPath, aceDirr)
relPathEndfAce = os.path.relpath(endfPath, aceDirr)
relPathPendfAce = os.path.relpath(pendfPath, aceDirr)
#
numThermals = len(dat.endfThermalFileList)
numTemperatures = len(dat.thermList)
pendfOutTape = get_pendf_out_tape(tapes, numThermals)
endfThermalPathList = [
os.path.join(endfDirr, thermalFile)
for thermalFile in dat.endfThermalFileList if thermalFile
]
relPathThermalAceList = [
os.path.relpath(thermalPath, aceDirr)
for thermalPath in endfThermalPathList
]
endfThermalTapeList = map(lambda x: x + tapes.endfThermalStart,
range(numThermals))
endfNonFreeThermalTapeList = [
tape for (mt, tape) in zip(dat.inelasticMTList, endfThermalTapeList)
if mt != 221
]
#
aceScriptFile = 'runNJOY.sh'
aceScriptPath = os.path.join(aceDirr, aceScriptFile)
aceFileTemplate = '{H}.{e}{s}t'
# Script to run NJOY from PENDF to thermal ACE:
deck = []
deck.append(["#! /usr/bin/env bash"])
deck.append([
"echo 'NJOY Problem {0} {1} (PENDF to thermal ACE)'".format(
dat.thermalNuclideName, dat.endfName)
])
deck.append([
"echo 'Getting ENDF input tape, PENDF input tape and NJOY executable'"
])
deck.append(['ln -fs {0} xnjoy'.format(relPathNJOYAce)])
deck.append(['ln -fs {0} tape{1:02g}'.format(relPathEndfAce, tapes.endf)])
deck.append(
['ln -fs {0} tape{1:02g}'.format(relPathPendfAce, abs(pendfOutTape))])
for endfTape, relPath in zip(endfNonFreeThermalTapeList,
relPathThermalAceList):
deck.append(['ln -fs {0} tape{1:02g}'.format(relPath, endfTape)])
deck.append(["echo 'Running NJOY'"])
deck.append(["cat>input <<EOF"])
create_moder_input(deck, dat, tapes.endf, tapes.bendf)
deck.append(['stop'])
deck.append(["EOF"])
deck.append(["./xnjoy<input"])
for iT in range(numTemperatures):
# Do multiple calls to NJOY (bug in NJOY somewhere)
deck.append(["cat>input <<EOF"])
create_thermal_acer_input(deck, dat, tapes.bendf, pendfOutTape,
tapes.aceStart, tapes.aceXSDirStart, iT)
create_acer_visualization_input(deck, dat, tapes.aceStart,
tapes.acerViewStart,
tapes.viewrAceStart, iT)
deck.append(['stop'])
deck.append(["EOF"])
deck.append(["./xnjoy<input"])
deck.append(["echo 'Cleaning up and saving ACE files'"])
aceFiles = []
aceCERTDir = '/scratch/yunhuang/barnfire/xs/cert_ace'
for i in range(numTemperatures):
tapeAceOut, tapeXSDirOut, viewrOut = tapes.aceStart + i, tapes.aceXSDirStart + i, tapes.viewrAceStart + i
aceFile = aceFileTemplate.format(H=dat.thermalFileName,
s=i,
e=dat.aceExt)
aceFiles.append(aceFile)
aceFileDir = 'xsdir.{}'.format(aceFile)
plotName = 'p_xs_{}.pdf'.format(aceFile)
deck.append(['cp -f tape{0:02g} {1}'.format(tapeAceOut, aceFile)])
deck.append(['cp -f tape{0:02g} {1}'.format(tapeXSDirOut, aceFileDir)])
deck.append(['cp -f {0} {1}/'.format(aceFile, aceCERTDir)])
deck.append(['cp -f {0} {1}/'.format(aceFileDir, aceCERTDir)])
deck.append(['ps2pdf tape{0:02g} {1}'.format(viewrOut, plotName)])
deck.append(['rm -f xnjoy'])
tapeNamesToRemove = ' '.join(
get_temporary_tapes_ace(tapes, pendfOutTape,
endfNonFreeThermalTapeList, numTemperatures,
False))
deck.append(['rm -f {0}'.format(tapeNamesToRemove)])
try_mkdir(aceDirr)
print_njoy_file(aceScriptPath, deck)
return aceScriptPath, aceFiles
def define_input_parser():
dirDict = get_common_directories()
pyDirr = dirDict['src']
groupDirr = dirDict['dat/energy_groups']
parser = argparse.ArgumentParser(
description='Group structure specification functions.',
formatter_class=argparse.ArgumentDefaultsHelpFormatter)
# If nothing is specified, verbosity is False. If -v or --verbose is specified, verbosity is 1. If -v N is specified, verbosity is N.
parser.add_argument('-v',
'--verbose',
dest='verbosity',
nargs='?',
const=1,
default=0,
choices=[0, 1, 2, 3, 4],
type=int)
parser.add_argument('-i',
'--inputdir',
dest='inDirr',
help='Input directory with MG library specifications',
default=groupDirr)
parser.add_argument('-I',
'--inputname',
dest='inName',
help='Name of MG library to start with.',
default='energy_in_default.txt')
parser.add_argument('-o',
'--outputdir',
dest='outDirr',
help='Output directory.',
default=groupDirr)
parser.add_argument(
'-O',
'--outname',
dest='outName',
help=
"Short name for output files. A value of 'none' means do not print",
default='custom')
parser.add_argument(
'-d',
'--defaultuse',
dest='useDefault',
help=
"Use a pre-defined input scheme. If not 'none', overrides 'rangeresolved,' 'finelethargyspacing,' and 'outname.'",
choices=['none', 'low', 'med', 'high'],
default='none')
parser.add_argument(
'-r',
'--rangeresolved',
dest='resolvedRange',
help=
'The resolved resonance range to be refined (energies in eV). If multiple ranges are desired, this program may be run multiple times.',
nargs=2,
type=float,
default=[3.0, 1000.0])
parser.add_argument('-R',
'--rangefull',
dest='fullRange',
help='The full energy range for the group structure.',
nargs=2,
type=float,
default=[1e-5, 2e7])
parser.add_argument('-e',
'--noextend',
dest='noExtend',
help="If specified, do not crop to 'rangefull.'",
action='store_true',
default=False)
energyMeshGroup = parser.add_argument_group(
'Number of groups specification',
'If both number of groups and lethargy spacing are provided, the finer of the two is used.'
)
energyMeshGroup.add_argument('-g',
'--groups',
help='Total number of groups to use.',
type=int,
default=1)
energyMeshGroup.add_argument(
'-f',
'--finelethargyspacing',
dest='fineLethargySpacing',
help='Lethargy spacing to use inside the resolve resonance region.',
type=float,
default=1e4)
energyMeshGroup.add_argument(
'-b',
'--boundarylethargyspacing',
dest='boundaryLethargySpacing',
help=
'Lethargy spacing for the boundary between resolved and unresolved resonance regions. The boundary acts as a buffer for downscattering from medium-to-heavy nuclei so the two regions do not see each other directly. Use a value of 0 for no buffer.',
type=float,
default=0.3)
return parser
def define_input_parser():
dirDict = get_common_directories()
thisDirr = os.path.abspath('.')
xsInDirr = dirDict['pdtxs']
xsOutDirr = dirDict['pdtxs']
#
parser = argparse.ArgumentParser(
description='Cross section merger',
formatter_class=argparse.ArgumentDefaultsHelpFormatter)
#
# If nothing is specified, verbosity is False. If -v or --verbose is specified, verbosity is 1. If -v N is specified, verbosity is N.
parser.add_argument('-v',
'--verbose',
dest='verbosity',
nargs='?',
const=1,
default=0,
choices=[0, 1, 2, 3, 4],
type=int)
parser.add_argument(
'-m',
'--materialslist',
help=
'List of materials to use (for more advanced options, see materials_materials.py).',
nargs='+',
default=[])
parser.add_argument(
'-M',
'--micromacro',
help=
'Which type of cross section(s) are desired: microscopic, macroscopic, or both?',
default='macro',
choices=['micro', 'macro', 'both'])
parser.add_argument(
'-a',
'--aggregationopt',
help=
"Which cross sections to merge. 'auto' means combine all cross sections with the same materialName but different temperatures, assuming materials are named like '{materialName}_{temperatureIndex}. 'all' means combine all cross sections in the materials list into one new cross section.",
default='auto',
choices=['auto', 'all'])
parser.add_argument(
'-g',
'--groups',
help="Number of groups to use when determining the input name.",
type=int,
default=0)
parser.add_argument('-i',
'--inputdir',
help='Input directory with PDT XS.',
default=xsInDirr)
parser.add_argument('-o',
'--outputdir',
help='Output directory',
default=xsOutDirr)
parser.add_argument(
'-I',
'--inputformat',
help=
'Format for determining the cross section. {m} is replaced with the material name. {g} is replaced by the number of groups',
default='xs_{m}_{g}.data')
parser.add_argument(
'-O',
'--outputformat',
help=
"Format for determining the output cross section. {b} is replaced with the base material name (no temperature index; for 'all' aggregation, base name is 'all'). {g} is replaced by the number of groups. {n} is replaced by the number of XS to be merged",
default='xs_{b}_{n}T_{g}.data')
return parser