From f7bde66991a2afbeb23664bce8d92ec63545d546 Mon Sep 17 00:00:00 2001 From: Jez Swann Date: Mon, 19 Feb 2024 15:48:57 +0000 Subject: [PATCH 01/18] isort and black changes --- .gitignore | 2 + jade/MCTAL_READER2.py | 1816 +++++++++++++++++++++++------------------ jade/__init__.py | 2 +- jade/__version__.py | 2 +- jade/acepyne.py | 612 +++++++------- jade/atlas.py | 142 ++-- jade/computational.py | 61 +- jade/configuration.py | 2 +- jade/excelsupport.py | 230 +++--- jade/exceptions.py | 15 +- jade/expoutput.py | 1221 ++++++++++++++------------- jade/gui.py | 7 +- jade/inputfile.py | 293 +++---- jade/libmanager.py | 7 +- jade/main.py | 16 +- jade/matreader.py | 15 +- jade/meshtal.py | 44 +- jade/output.py | 251 +++--- jade/outputFile.py | 29 +- jade/parsersD1S.py | 102 +-- jade/plotter.py | 283 ++++--- jade/postprocess.py | 48 +- jade/sphereoutput.py | 113 +-- jade/status.py | 3 +- jade/testrun.py | 9 +- jade/unix.py | 1 - jade/utilitiesgui.py | 563 +++++++------ jade/xsdirpyne.py | 138 ++-- 28 files changed, 3283 insertions(+), 2744 deletions(-) diff --git a/.gitignore b/.gitignore index 8c1decb1..8f1193ae 100644 --- a/.gitignore +++ b/.gitignore @@ -17,3 +17,5 @@ docs/source/_templates/ JADE.egg-info/ jade.egg-info/ build/ + +venv/* \ No newline at end of file diff --git a/jade/MCTAL_READER2.py b/jade/MCTAL_READER2.py index bbd85d07..654fac14 100644 --- a/jade/MCTAL_READER2.py +++ b/jade/MCTAL_READER2.py @@ -1,5 +1,5 @@ # -''' +""" https://github.com/kbat/mc-tools GNU Lesser General Public License v3.0 @@ -9,863 +9,1059 @@ Contributors provide an express grant of patent rights. However, a larger work using the licensed work through interfaces provided by the licensed work may be distributed under different terms and without source code for the larger work. -''' +""" + +import math +import re +import sys -import sys, re, math import numpy as np ############################################################################################################################# -class Header: - """This class contains header information from MCTAL file. - We call 'header' what is written from the beginning to the first 'tally' keyword. - """ - - def __init__(self,verbose=False): - self.verbose = verbose # Verbosity flag - self.kod = "" # Name of the code, MCNPX - self.ver = "" # Code version - self.probid = np.array((), dtype=str) # Date and time when the problem was run - self.knod = 0 # The dump number - self.nps = 0 # Number of histories that were run - self.rnr = 0 # Number of pseudoradom numbers that were used - self.title = "" # Problem identification line - self.ntal = 0 # Number of tallies - self.ntals = np.array((), dtype=int) # Array of tally numbers - self.npert = 0 # Number of perturbations - - def Print(self): - """Prints the class members. - Verbose flag on class initialization must be set to True. - """ - - if self.verbose: - print ("\033[1m[HEADER]\033[0m") - print ("code:\t\t%s" % self.kod) - print ("version:\t%s" % self.ver) - print ("date and time:\t%s" % self.probid) - print ("dump number:\t%s" % self.knod) - print ("number of histories:\t%s" % self.nps) - print ("number of pseudorandom numbers used:\t%s" % self.rnr) - print ("title: %s" % self.title) - - if self.ntal>1: - print(self.ntal, 'tallies:', self.ntals) - else: - print(self.ntal, 'tally:', self.ntals) - - - if self.npert != 0: - print("number of perturbations: %s" % self.npert) -############################################################################################################################# -class Tally: - """This class is aimed to store all the information contained in a - tally. +class Header: + """This class contains header information from MCTAL file. + We call 'header' what is written from the beginning to the first 'tally' keyword. + """ + + def __init__(self, verbose=False): + self.verbose = verbose # Verbosity flag + self.kod = "" # Name of the code, MCNPX + self.ver = "" # Code version + self.probid = np.array((), dtype=str) # Date and time when the problem was run + self.knod = 0 # The dump number + self.nps = 0 # Number of histories that were run + self.rnr = 0 # Number of pseudoradom numbers that were used + self.title = "" # Problem identification line + self.ntal = 0 # Number of tallies + self.ntals = np.array((), dtype=int) # Array of tally numbers + self.npert = 0 # Number of perturbations + + def Print(self): + """Prints the class members. + Verbose flag on class initialization must be set to True. """ - def __init__(self,tN,verbose=False): - self.verbose = verbose # Verbosity flag - self.tallyNumber = tN # Tally number - self.typeNumber = 0 # Particle type number - self.detectorType = None # The type of detector tally where 0=none, 1=point, 2=ring, 3=pinhole radiograph, - # 4=transmitted image radiograph (rectangular grid), - # 5=transmitted image radiograph (cylindrical grid) - # When negative, it provides the type of mesh tally - self.radiograph = False # Flag set to True is the tally is a radiograph tally. - self.tallyParticles = np.array((), dtype=int) # List of 0/1 entries indicating which particle types are used by the tally - self.tallyComment = np.array((), dtype=str) # The FC card lines - self.nCells = 0 # Number of cell, surface or detector bins - self.mesh = False # True if the tally is a mesh tally - self.meshInfo = np.array([0,1,1,1], dtype=int) # Mesh binning information in the case of a mesh tally - self.nDir = 0 # Number of total vs. direct or flagged vs. unflagged bins - self.nUsr = 0 # Number of user bins - self.usrTC = None # Total / cumulative bin in the user bins - self.nSeg = 0 # Number of segment bins - self.segTC = None # Total / cumulative bin in the segment bins - self.nMul = 0 # Number of multiplier bins - self.mulTC = None # Total / cumulative bin in the multiplier bins - self.nCos = 0 # Number of cosine bins - self.cosTC = None # Total / cumulative bin in the cosine bins - self.cosFlag = 0 # The integer flag of cosine bins - self.nErg = 0 # Number of energy bins - self.ergTC = None # Total / cumulative bin in the energy bins - self.ergFlag = 0 # The integer flag of energy bins - self.nTim = 0 # Number of time bins - self.timTC = None # Total / cumulative bin in the time bins - self.timFlag = 0 # The integer flag of time bins - - self.cells = np.array(()) # Array of cell bin boundaries - self.usr = np.array(()) # Array of user bin boundaries - self.seg = np.array(()) # Array of segments bin boundaries - self.cos = np.array(()) # Array of cosine bin boundaries - self.erg = np.array(()) # Array of energy bin boundaries - self.tim = np.array(()) # Array of time bin boundaries - self.cora = np.array(()) # Array of cora bin boundaries for mesh tallies (or lattices) - self.corb = np.array(()) # Array of corb bin boundaries for mesh tallies (or lattices) - self.corc = np.array(()) # Array of corc bin boundaries for mesh tallies (or lattices) - - self.tfc_jtf = np.array(()) # List of numbers in the tfc line - self.tfc_dat = [] # Tally fluctuation chart data (NPS, tally, error, figure of merit) - - self.detectorTypeList = { -6 : "smesh" , -5 : "cmesh" , -4 : "rmesh" , - # The line below duplicates the line above with short names for tally naming during conversion. - # See the function getDetectorType to see how this information is used - -3 : "Spherical mesh tally" , -2 : "Cylindrical mesh tally" , -1 : "Rectangular mesh tally", - 0 : "None" , 1 : "Point" , 2 : "Ring" , - 3 : "Pinhole radiograph" , 4 : "Transmitted image rdiograph (rectangular grid)" , 5 : "Transmitted image radiograph (cylindrical grid)", - # The line below duplicates the line above, with short names for tally naming during conversion. - # See the function getDetectorType to see how this information is used - 6 : "pi" , 7 : "tir" , 8 : "tic" } - - self.particleListShort = { 1 : "Neutron" , 2 : "Photon" , 3 : "Neutron + Photon" , - 4 : "Electron" , 5 : "Neutron + Electron" , 6 : "Photon + Electron" , - 7 : "Neutron + Photon + Electron" } - - #1 2 3 4 5 6 7 - self.particleList = ("Neutron" , "Photon" , "Electron" , "Muon" , "Tau" , "Electron Neutrino" , "Muon Neutrino" , - #8 9 10 11 12 13 14 - "Tau Neutrino" , "Proton" , "Lambda 0" , "Sigma +" , "Sigma -" , "Cascade 0" , "Cascade -" , - #15 16 17 18 19 20 21 - "Omega -" , "Lambda c +" , "Cascade c +" , "Cascade c 0" , "Lambda b 0" , "Pion +" , "Neutral Pion" , - #22 23 24 25 26 27 28 - "Kaon +" , "K0 Short" , "K0 Long" , "D +" , "D 0" , "D s +" , "B +" , - #29 30 31 32 33 34 35 - "B 0" , "B s 0" , "Deuteron" , "Triton" , "He3" , "He4 (Alpha)" , "Heavy ions") - - - self.binIndexList = ("f","d","u","s","m","c","e","t","i","j","k") - - self.isInitialized = False - self.valsErrors = None # Array of values and errors - - def initializeValuesVectors(self): - """This function initializes the 9-D matrix for the storage of values and errors.""" - - nCells = self.getNbins("f") - nCora = self.getNbins("i") - nCorb = self.getNbins("j") - nCorc = self.getNbins("k") - nDir = self.getNbins("d") - nUsr = self.getNbins("u") - nSeg = self.getNbins("s") - nMul = self.getNbins("m") - nCos = self.getNbins("c") - nErg = self.getNbins("e") - nTim = self.getNbins("t") - - self.valsErrors = np.empty( ( nCells , nDir , nUsr , nSeg , nMul , nCos , nErg , nTim , nCora , nCorb , nCorc , 2 ) , dtype=float) - - #self.valsErrors = [[[[[[[[[[[[[] for _ in xrange(2)] for _ in xrange(nCorc)] for _ in xrange(nCorb)] for _ in xrange(nCora)] for _ in xrange(nTim)] - # for _ in xrange(nErg)] for _ in xrange(nCos)] for _ in xrange(nMul)] for _ in xrange(nSeg)] for _ in xrange(nUsr)] - # for _ in xrange(nDir)] for _ in xrange(nCells)] - - self.isInitialized = True - - - def Print(self, option=[]): - """Tally printer. Options: title. Verbose flag on class initialization must be set to True.""" - - if self.verbose: - print ("\033[1m[TALLY]\033[0m") - print ("Tally Number: %5d" % self.tallyNumber) - print ("Tally comment(s):") - for comment in self.tallyComment: - print ("\t%s" % comment) - mt = "Yes" if self.mesh else "No" - print ("Mesh tally: %s" % mt ) - rt = "Yes" if self.radiograph else "No" - print ("Radiograph Tally: %s" % rt) - print ("Detector type: %s" % self.getDetectorType()) - print ("List of particles in tally:") - for i,name in enumerate(self.getTallyParticles()): - print ("\t%2d - %s" % (i+1,name)) - if not self.mesh: - print ("Number of cells/point detectors/surfaces/macrobodies: %5d" % self.getNbins("f")) - else: - mesh_tot = self.getNbins("i")*self.getNbins("j")*self.getNbins("k") - - print ("Number of mesh tally bins: %5d" % mesh_tot) - print ("\tNumber of CORA bins: %5d" % self.getNbins("i")) - print ("\tNumber of CORB bins: %5d" % self.getNbins("j")) - print ("\tNumber of CORC bins: %5d" % self.getNbins("k")) - print ("Number of tot vs. dir or flag vs. unflag bins: %5d" % self.getNbins("d")) - print ("Number of user bins: %5d" % self.getNbins("u")) - print ("Number of segments: %5d" % self.getNbins("s")) - print ("Number of multipliers: %5d" % self.getNbins("m")) - print ("Number of cosine bins: %5d" % self.getNbins("c")) - print ("Number of energy bins: %5d" % self.getNbins("e")) - print ("Number of time bins: %5d" % self.getNbins("t")) - - print ("Total values in the tally: %8d" % self.getTotNumber(False)) - - - - def getDetectorType(self,short=False): - """Returns the type of the detector type used in the tally.""" - - if not short: - return self.detectorTypeList[self.detectorType] - elif short and self.radiograph: - return self.detectorTypeList[self.detectorType + 3] - elif short and self.mesh: - return self.detectorTypeList[self.detectorType - 3] - - def getTallyParticles(self): - """Returns the particles used in the tally. References can be found in Table 4-1 and page B-2 of the MCNPX manual.""" - - particleNames = [] - - if self.typeNumber > 0: - particleNames.append(self.particleListShort[self.typeNumber]) - else: - for i,name in enumerate(self.particleList): - try: - if self.tallyParticles[i] == 1: - particleNames.append(self.particleList[i]) - except: - pass # For some reasons there can be less than 35 particles listed. Skip in case. - return particleNames - - - def getTotNumber(self,includeTotalBin=True): - """Return the total number of bins.""" - - nCells = self.getNbins("f",includeTotalBin) - nCora = self.getNbins("i",includeTotalBin) - nCorb = self.getNbins("j",includeTotalBin) - nCorc = self.getNbins("k",includeTotalBin) - nDir = self.getNbins("d",includeTotalBin) - nUsr = self.getNbins("u",includeTotalBin) - nSeg = self.getNbins("s",includeTotalBin) - nMul = self.getNbins("m",includeTotalBin) - nCos = self.getNbins("c",includeTotalBin) - nErg = self.getNbins("e",includeTotalBin) - nTim = self.getNbins("t",includeTotalBin) - - tot = nCells * nDir * nUsr * nSeg * nMul * nCos * nErg * nTim * nCora * nCorb * nCorc - - return tot - - def insertCell(self,cN): - """Insert cell number.""" - - if len(self.cells) <= self.nCells: - self.cells = np.append(self.cells, cN) - return True - else: - return False - - def insertCorBin(self,axis,value): - """Insert cora/b/c values.""" - - if axis == 'a': - if len(self.cora) <= self.meshInfo[1]+1: - self.cora = np.append(self.cora, value) - return True - else: - return False - if axis == 'b': - if len(self.corb) <= self.meshInfo[2]+1: - self.corb = np.append(self.corb, value) - return True - else: - return False - - if axis == 'c': - if len(self.corc) <= self.meshInfo[3]+1: - self.corc = np.append(self.corc, value) - return True - else: - return False - - def insertUsr(self,uB): - """Insert usr bins.""" - - if len(self.usr) <= self.nUsr: - self.usr = np.append(self.usr, uB) - return True - else: - return False - - def insertSeg(self,sB): - """Insert seg bins.""" - - if len(self.seg) <= self.nSeg: - self.seg = np.append(self.seg, sB) - return True - else: - return False + if self.verbose: + print("\033[1m[HEADER]\033[0m") + print("code:\t\t%s" % self.kod) + print("version:\t%s" % self.ver) + print("date and time:\t%s" % self.probid) + print("dump number:\t%s" % self.knod) + print("number of histories:\t%s" % self.nps) + print("number of pseudorandom numbers used:\t%s" % self.rnr) + print("title: %s" % self.title) - def insertCos(self,cB): - """Insert cosine bin.""" + if self.ntal > 1: + print(self.ntal, "tallies:", self.ntals) + else: + print(self.ntal, "tally:", self.ntals) - if len(self.cos) <= self.nCos: - self.cos = np.append(self.cos, cB) - return True - else: - return False - - def insertRadiograph(self,axis,rB): - """Insert radiograph coordinates on s and t-axis.""" - - if axis == "s": - if len(self.seg) <= self.nSeg+1: - self.seg = np.append(self.seg, rB) - return True - else: - return False - - if axis == "t": - if len(self.cos) <= self.nCos+1: - self.cos = np.append(self.cos,rB) - return True - else: - return False - - def insertErg(self,eB): - """Insert energy bin.""" - - if len(self.erg) <= self.nErg: - self.erg = np.append(self.erg, eB) - return True - else: - return False + if self.npert != 0: + print("number of perturbations: %s" % self.npert) - def insertTim(self,tB): - """Insert time bin.""" - if len(self.tim) <= self.nTim: - self.tim = np.append(self.tim, tB) - return True - else: - return False +############################################################################################################################# +class Tally: + """This class is aimed to store all the information contained in a + tally. + """ + + def __init__(self, tN, verbose=False): + self.verbose = verbose # Verbosity flag + self.tallyNumber = tN # Tally number + self.typeNumber = 0 # Particle type number + self.detectorType = None # The type of detector tally where 0=none, 1=point, 2=ring, 3=pinhole radiograph, + # 4=transmitted image radiograph (rectangular grid), + # 5=transmitted image radiograph (cylindrical grid) + # When negative, it provides the type of mesh tally + self.radiograph = False # Flag set to True is the tally is a radiograph tally. + self.tallyParticles = np.array( + (), dtype=int + ) # List of 0/1 entries indicating which particle types are used by the tally + self.tallyComment = np.array((), dtype=str) # The FC card lines + self.nCells = 0 # Number of cell, surface or detector bins + self.mesh = False # True if the tally is a mesh tally + self.meshInfo = np.array( + [0, 1, 1, 1], dtype=int + ) # Mesh binning information in the case of a mesh tally + self.nDir = 0 # Number of total vs. direct or flagged vs. unflagged bins + self.nUsr = 0 # Number of user bins + self.usrTC = None # Total / cumulative bin in the user bins + self.nSeg = 0 # Number of segment bins + self.segTC = None # Total / cumulative bin in the segment bins + self.nMul = 0 # Number of multiplier bins + self.mulTC = None # Total / cumulative bin in the multiplier bins + self.nCos = 0 # Number of cosine bins + self.cosTC = None # Total / cumulative bin in the cosine bins + self.cosFlag = 0 # The integer flag of cosine bins + self.nErg = 0 # Number of energy bins + self.ergTC = None # Total / cumulative bin in the energy bins + self.ergFlag = 0 # The integer flag of energy bins + self.nTim = 0 # Number of time bins + self.timTC = None # Total / cumulative bin in the time bins + self.timFlag = 0 # The integer flag of time bins + + self.cells = np.array(()) # Array of cell bin boundaries + self.usr = np.array(()) # Array of user bin boundaries + self.seg = np.array(()) # Array of segments bin boundaries + self.cos = np.array(()) # Array of cosine bin boundaries + self.erg = np.array(()) # Array of energy bin boundaries + self.tim = np.array(()) # Array of time bin boundaries + self.cora = np.array( + () + ) # Array of cora bin boundaries for mesh tallies (or lattices) + self.corb = np.array( + () + ) # Array of corb bin boundaries for mesh tallies (or lattices) + self.corc = np.array( + () + ) # Array of corc bin boundaries for mesh tallies (or lattices) + + self.tfc_jtf = np.array(()) # List of numbers in the tfc line + self.tfc_dat = ( + [] + ) # Tally fluctuation chart data (NPS, tally, error, figure of merit) + + self.detectorTypeList = { + -6: "smesh", + -5: "cmesh", + -4: "rmesh", + # The line below duplicates the line above with short names for tally naming during conversion. + # See the function getDetectorType to see how this information is used + -3: "Spherical mesh tally", + -2: "Cylindrical mesh tally", + -1: "Rectangular mesh tally", + 0: "None", + 1: "Point", + 2: "Ring", + 3: "Pinhole radiograph", + 4: "Transmitted image rdiograph (rectangular grid)", + 5: "Transmitted image radiograph (cylindrical grid)", + # The line below duplicates the line above, with short names for tally naming during conversion. + # See the function getDetectorType to see how this information is used + 6: "pi", + 7: "tir", + 8: "tic", + } + + self.particleListShort = { + 1: "Neutron", + 2: "Photon", + 3: "Neutron + Photon", + 4: "Electron", + 5: "Neutron + Electron", + 6: "Photon + Electron", + 7: "Neutron + Photon + Electron", + } + + # 1 2 3 4 5 6 7 + self.particleList = ( + "Neutron", + "Photon", + "Electron", + "Muon", + "Tau", + "Electron Neutrino", + "Muon Neutrino", + # 8 9 10 11 12 13 14 + "Tau Neutrino", + "Proton", + "Lambda 0", + "Sigma +", + "Sigma -", + "Cascade 0", + "Cascade -", + # 15 16 17 18 19 20 21 + "Omega -", + "Lambda c +", + "Cascade c +", + "Cascade c 0", + "Lambda b 0", + "Pion +", + "Neutral Pion", + # 22 23 24 25 26 27 28 + "Kaon +", + "K0 Short", + "K0 Long", + "D +", + "D 0", + "D s +", + "B +", + # 29 30 31 32 33 34 35 + "B 0", + "B s 0", + "Deuteron", + "Triton", + "He3", + "He4 (Alpha)", + "Heavy ions", + ) + + self.binIndexList = ("f", "d", "u", "s", "m", "c", "e", "t", "i", "j", "k") + + self.isInitialized = False + self.valsErrors = None # Array of values and errors + + def initializeValuesVectors(self): + """This function initializes the 9-D matrix for the storage of values and errors.""" + + nCells = self.getNbins("f") + nCora = self.getNbins("i") + nCorb = self.getNbins("j") + nCorc = self.getNbins("k") + nDir = self.getNbins("d") + nUsr = self.getNbins("u") + nSeg = self.getNbins("s") + nMul = self.getNbins("m") + nCos = self.getNbins("c") + nErg = self.getNbins("e") + nTim = self.getNbins("t") + + self.valsErrors = np.empty( + (nCells, nDir, nUsr, nSeg, nMul, nCos, nErg, nTim, nCora, nCorb, nCorc, 2), + dtype=float, + ) + + # self.valsErrors = [[[[[[[[[[[[[] for _ in xrange(2)] for _ in xrange(nCorc)] for _ in xrange(nCorb)] for _ in xrange(nCora)] for _ in xrange(nTim)] + # for _ in xrange(nErg)] for _ in xrange(nCos)] for _ in xrange(nMul)] for _ in xrange(nSeg)] for _ in xrange(nUsr)] + # for _ in xrange(nDir)] for _ in xrange(nCells)] + + self.isInitialized = True + + def Print(self, option=[]): + """Tally printer. Options: title. Verbose flag on class initialization must be set to True.""" + + if self.verbose: + print("\033[1m[TALLY]\033[0m") + print("Tally Number: %5d" % self.tallyNumber) + print("Tally comment(s):") + for comment in self.tallyComment: + print("\t%s" % comment) + mt = "Yes" if self.mesh else "No" + print("Mesh tally: %s" % mt) + rt = "Yes" if self.radiograph else "No" + print("Radiograph Tally: %s" % rt) + print("Detector type: %s" % self.getDetectorType()) + print("List of particles in tally:") + for i, name in enumerate(self.getTallyParticles()): + print("\t%2d - %s" % (i + 1, name)) + if not self.mesh: + print( + "Number of cells/point detectors/surfaces/macrobodies: %5d" + % self.getNbins("f") + ) + else: + mesh_tot = self.getNbins("i") * self.getNbins("j") * self.getNbins("k") + + print("Number of mesh tally bins: %5d" % mesh_tot) + print("\tNumber of CORA bins: %5d" % self.getNbins("i")) + print("\tNumber of CORB bins: %5d" % self.getNbins("j")) + print("\tNumber of CORC bins: %5d" % self.getNbins("k")) + print( + "Number of tot vs. dir or flag vs. unflag bins: %5d" + % self.getNbins("d") + ) + print("Number of user bins: %5d" % self.getNbins("u")) + print("Number of segments: %5d" % self.getNbins("s")) + print("Number of multipliers: %5d" % self.getNbins("m")) + print("Number of cosine bins: %5d" % self.getNbins("c")) + print("Number of energy bins: %5d" % self.getNbins("e")) + print("Number of time bins: %5d" % self.getNbins("t")) + + print("Total values in the tally: %8d" % self.getTotNumber(False)) + + def getDetectorType(self, short=False): + """Returns the type of the detector type used in the tally.""" + + if not short: + return self.detectorTypeList[self.detectorType] + elif short and self.radiograph: + return self.detectorTypeList[self.detectorType + 3] + elif short and self.mesh: + return self.detectorTypeList[self.detectorType - 3] + + def getTallyParticles(self): + """Returns the particles used in the tally. References can be found in Table 4-1 and page B-2 of the MCNPX manual.""" + + particleNames = [] + + if self.typeNumber > 0: + particleNames.append(self.particleListShort[self.typeNumber]) + else: + for i, name in enumerate(self.particleList): + try: + if self.tallyParticles[i] == 1: + particleNames.append(self.particleList[i]) + except: + pass # For some reasons there can be less than 35 particles listed. Skip in case. + return particleNames + + def getTotNumber(self, includeTotalBin=True): + """Return the total number of bins.""" + + nCells = self.getNbins("f", includeTotalBin) + nCora = self.getNbins("i", includeTotalBin) + nCorb = self.getNbins("j", includeTotalBin) + nCorc = self.getNbins("k", includeTotalBin) + nDir = self.getNbins("d", includeTotalBin) + nUsr = self.getNbins("u", includeTotalBin) + nSeg = self.getNbins("s", includeTotalBin) + nMul = self.getNbins("m", includeTotalBin) + nCos = self.getNbins("c", includeTotalBin) + nErg = self.getNbins("e", includeTotalBin) + nTim = self.getNbins("t", includeTotalBin) + + tot = ( + nCells + * nDir + * nUsr + * nSeg + * nMul + * nCos + * nErg + * nTim + * nCora + * nCorb + * nCorc + ) + + return tot + + def insertCell(self, cN): + """Insert cell number.""" + + if len(self.cells) <= self.nCells: + self.cells = np.append(self.cells, cN) + return True + else: + return False + + def insertCorBin(self, axis, value): + """Insert cora/b/c values.""" + + if axis == "a": + if len(self.cora) <= self.meshInfo[1] + 1: + self.cora = np.append(self.cora, value) + return True + else: + return False + if axis == "b": + if len(self.corb) <= self.meshInfo[2] + 1: + self.corb = np.append(self.corb, value) + return True + else: + return False + + if axis == "c": + if len(self.corc) <= self.meshInfo[3] + 1: + self.corc = np.append(self.corc, value) + return True + else: + return False + + def insertUsr(self, uB): + """Insert usr bins.""" + + if len(self.usr) <= self.nUsr: + self.usr = np.append(self.usr, uB) + return True + else: + return False + + def insertSeg(self, sB): + """Insert seg bins.""" + + if len(self.seg) <= self.nSeg: + self.seg = np.append(self.seg, sB) + return True + else: + return False + + def insertCos(self, cB): + """Insert cosine bin.""" + + if len(self.cos) <= self.nCos: + self.cos = np.append(self.cos, cB) + return True + else: + return False + + def insertRadiograph(self, axis, rB): + """Insert radiograph coordinates on s and t-axis.""" + + if axis == "s": + if len(self.seg) <= self.nSeg + 1: + self.seg = np.append(self.seg, rB) + return True + else: + return False + + if axis == "t": + if len(self.cos) <= self.nCos + 1: + self.cos = np.append(self.cos, rB) + return True + else: + return False + + def insertErg(self, eB): + """Insert energy bin.""" + + if len(self.erg) <= self.nErg: + self.erg = np.append(self.erg, eB) + return True + else: + return False + + def insertTim(self, tB): + """Insert time bin.""" + + if len(self.tim) <= self.nTim: + self.tim = np.append(self.tim, tB) + return True + else: + return False + + def insertTfcJtf(self, jtf): + """Insert TFC jtf list.""" + + if len(jtf) == 9: + self.tfc_jtf = jtf + return True + else: + return False + + def insertTfcDat(self, dat): + """Insert TFC values.""" + + if len(dat) <= 4: + self.tfc_dat.append(dat) + return True + else: + return False + + def insertValue(self, c, d, u, s, m, a, e, t, f, i, j, k, val): + """Insert tally value.""" + + if self.isInitialized == False: + self.initializeValuesVectors() + + self.valsErrors[c][d][u][s][m][a][e][t][f][i][j][k] = val + + def getValue(self, f, d, u, s, m, c, e, t, i, j, k, v): + """Return a value from tally.""" + + return self.valsErrors[f][d][u][s][m][c][e][t][i][j][k][v] + + def getAxis(self, axis): + """Return an array containing the values of the axis bins. + The desired axis is set by passing the + corresponding letter as a function argument as + defined in MCNPX manual (u,s,c,e,t) for the + standard and (i,j,k) for mesh tallies axes (namely + cora/b/c). + """ - def insertTfcJtf(self,jtf): - """Insert TFC jtf list.""" + if axis == "u": + if len(self.usr) != 0: + return np.append([0], self.usr) - if len(jtf) == 9: - self.tfc_jtf = jtf - return True + if axis == "s": + if len(self.seg) != 0: + if self.radiograph: + return self.seg else: - return False - - def insertTfcDat(self,dat): - """Insert TFC values.""" + first = self.seg[0] - 1.0 + return np.append([first], self.seg) - if len(dat) <= 4: - self.tfc_dat.append(dat) - return True + if axis == "c": + if len(self.cos) != 0: + if self.radiograph: + return self.cos else: - return False + first = -1.0 + return np.append([first], self.cos) - def insertValue(self,c,d,u,s,m,a,e,t,f,i,j,k,val): - """Insert tally value. - """ - - if self.isInitialized == False: - self.initializeValuesVectors() - - self.valsErrors[c][d][u][s][m][a][e][t][f][i][j][k] = val - - def getValue(self,f,d,u,s,m,c,e,t,i,j,k,v): - """Return a value from tally. - """ - - return self.valsErrors[f][d][u][s][m][c][e][t][i][j][k][v] - - def getAxis(self,axis): - """Return an array containing the values of the axis bins. - The desired axis is set by passing the - corresponding letter as a function argument as - defined in MCNPX manual (u,s,c,e,t) for the - standard and (i,j,k) for mesh tallies axes (namely - cora/b/c). - """ - - if axis == "u": - if len(self.usr) != 0: - return np.append([0], self.usr) - - if axis == "s": - if len(self.seg) != 0: - if self.radiograph: - return self.seg - else: - first = self.seg[0] - 1. - return np.append([first], self.seg) - - if axis == "c": - if len(self.cos) != 0: - if self.radiograph: - return self.cos - else: - first = -1. - return np.append([first], self.cos) - - if axis == "e": - if len(self.erg) != 0: - first = 0.0 # self.erg[0] - 1. - return np.append([first], self.erg) - - if axis == "t": - if len(self.tim) != 0: - first = self.tim[0] - 1. - return np.append([first], self.tim) - - if axis == "i": - return self.cora - - if axis == "j": - return self.corb - - if axis == "k": - return self.corc - - return [] - - def getNbins(self,axis,includeTotalBin = True): - """Returns the number of bins relative to the desired axis. The correspondence is, as usual, (f,d,u,s,m,c,e,t) for standard 8D data, plus (i,j,k) for mesh tallies.""" - - if axis == "f": - nCells = 1 if self.nCells == 0 else self.nCells - return nCells - - if axis == "i": - return self.meshInfo[1] - - if axis == "j": - return self.meshInfo[2] - - if axis == "k": - return self.meshInfo[3] - - if axis == "d": - nDir = 1 if self.nDir == 0 else self.nDir - return nDir - - if axis == "u": - nUsr = 1 if self.nUsr == 0 else self.nUsr - nUsr = nUsr - 1 if self.usrTC == "t" and not includeTotalBin else nUsr - return nUsr - - if axis == "s": - nSeg = 1 if self.nSeg == 0 else self.nSeg - nSeg = nSeg - 1 if self.segTC == "t" and not includeTotalBin else nSeg - return nSeg - - if axis == "m": - nMul = 1 if self.nMul == 0 else self.nMul - nMul = nMul - 1 if self.mulTC == "t" and not includeTotalBin else nMul - return nMul - - if axis == "c": - nCos = 1 if self.nCos == 0 else self.nCos - nCos = nCos - 1 if self.cosTC == "t" and not includeTotalBin else nCos - return nCos - - if axis == "e": - nErg = 1 if self.nErg == 0 else self.nErg - nErg = nErg - 1 if self.ergTC == "t" and not includeTotalBin else nErg - return nErg - - if axis == "t": - nTim = 1 if self.nTim == 0 else self.nTim - nTim = nTim - 1 if self.timTC == "t" and not includeTotalBin else nTim - return nTim + if axis == "e": + if len(self.erg) != 0: + first = 0.0 # self.erg[0] - 1. + return np.append([first], self.erg) -############################################################################################################################# - -class KCODE: - """ Class to keep KCODE data """ - def __init__(self): - self.header = [] - self.data = [] + if axis == "t": + if len(self.tim) != 0: + first = self.tim[0] - 1.0 + return np.append([first], self.tim) -############################################################################################################################# + if axis == "i": + return self.cora -class MCTAL: - """This class parses the whole MCTAL file.""" + if axis == "j": + return self.corb - def __init__(self,fname,verbose=False): - self.verbose = verbose - self.tallies = [] - self.thereAreNaNs = False - self.header = Header(verbose) - self.mctalFileName = fname - self.mctalFile = open(self.mctalFileName, "r") - self.line = None # This variable will contain the read lines one by one, but it is - # important to keep it global because the last value from getHeaders() - # must be already available as first value for parseTally(). This will - # also apply to successive calls to parseTally(). - self.kcode = KCODE() # array with kcode data + if axis == "k": + return self.corc - def Read(self): - """This function calls the functions getHeaders and parseTally in order to read the entier MCTAL file.""" + return [] - if self.verbose: - print("\n\033[1;34m[Parsing file: %s...]\033[0m" % self.mctalFileName) + def getNbins(self, axis, includeTotalBin=True): + """Returns the number of bins relative to the desired axis. The correspondence is, as usual, (f,d,u,s,m,c,e,t) for standard 8D data, plus (i,j,k) for mesh tallies.""" - self.getHeaders() - self.getTallies() + if axis == "f": + nCells = 1 if self.nCells == 0 else self.nCells + return nCells - if self.thereAreNaNs and self.verbose: - print("\n \033[1;30mThe MCTAL file contains one or more tallies with NaN values. Flagged.\033[0m\n", file=sys.stderr) + if axis == "i": + return self.meshInfo[1] - self.mctalFile.close() - return self.tallies + if axis == "j": + return self.meshInfo[2] - def getHeaders(self): - """This function reads the first lines from the MCTAL file. We call "header" what is written from the beginning to the first "tally" keyword.""" + if axis == "k": + return self.meshInfo[3] - self.line = self.mctalFile.readline().split() + if axis == "d": + nDir = 1 if self.nDir == 0 else self.nDir + return nDir - if len(self.line) == 7: - self.header.kod = self.line[0] - self.header.ver = self.line[1] - pID_date = self.line[2] - self.header.probid = np.append(self.header.probid, pID_date) - pID_time = self.line[3] - self.header.probid = np.append(self.header.probid, pID_time) - self.header.knod = int(self.line[4]) - self.header.nps = int(self.line[5]) - self.header.rnr = int(self.line[6]) - elif len(self.line) == 3: - self.header.knod = int(self.line[0]) - self.header.nps = int(self.line[1]) - self.header.rnr = int(self.line[2]) + if axis == "u": + nUsr = 1 if self.nUsr == 0 else self.nUsr + nUsr = nUsr - 1 if self.usrTC == "t" and not includeTotalBin else nUsr + return nUsr + if axis == "s": + nSeg = 1 if self.nSeg == 0 else self.nSeg + nSeg = nSeg - 1 if self.segTC == "t" and not includeTotalBin else nSeg + return nSeg - self.header.title = self.mctalFile.readline().strip() + if axis == "m": + nMul = 1 if self.nMul == 0 else self.nMul + nMul = nMul - 1 if self.mulTC == "t" and not includeTotalBin else nMul + return nMul - self.line = self.mctalFile.readline().split() + if axis == "c": + nCos = 1 if self.nCos == 0 else self.nCos + nCos = nCos - 1 if self.cosTC == "t" and not includeTotalBin else nCos + return nCos - self.header.ntal = int(self.line[1]) + if axis == "e": + nErg = 1 if self.nErg == 0 else self.nErg + nErg = nErg - 1 if self.ergTC == "t" and not includeTotalBin else nErg + return nErg - if self.header.ntal == 0: - print("\n \033[1;31mNo tallies in this MCTAL file. Exiting.\033[0m\n", file=sys.stderr) - sys.exit(1) + if axis == "t": + nTim = 1 if self.nTim == 0 else self.nTim + nTim = nTim - 1 if self.timTC == "t" and not includeTotalBin else nTim + return nTim - if len(self.line) == 4: - self.header.npert = int(self.line[3]) - print("\n \033[1;31mMCTAL file with perturbation card. Not supported. Exiting.\033[0m\n", file=sys.stderr) - sys.exit(1) - self.line = self.mctalFile.readline().split() - - while self.line[0].lower() != "tally": - for l in self.line: self.header.ntals = np.append(self.header.ntals,int(l)) - self.line = self.mctalFile.readline().split() - - def getTallies(self): - """This function supervises the calls to parseTally() function. It will keep track of the position of cursor in the MCTAL file and stop execution when EOF is reached.""" - - EOF = False - - while not EOF: - EOF = self.parseTally() - - def parseTally(self): - """This function parses an entire tally.""" - - # The first line processed by this function is already in memory, either coming from the - # last readline() in Header class or from the previous call to parseTally() - - tally = Tally(int(self.line[1]),self.verbose) - - if self.verbose: - print(" \033[33mParsing tally: %5d\033[0m" % (tally.tallyNumber)) +############################################################################################################################# - tally.typeNumber = int(self.line[2]) - if len(self.line) == 4: tally.detectorType = int(self.line[3]) - if tally.detectorType is not None: # check for None is needed for MCNP6 and F1 tally - if tally.detectorType >= 3: - tally.radiograph = True - elif tally.detectorType <= -1: - tally.mesh = True +class KCODE: + """Class to keep KCODE data""" - self.line = self.mctalFile.readline() - # Some MCTAL files do not have the particle list - # (e.g. produced by MCNP5) so we need to check if it's - # present (line with particle list starts with space): - if self.line[0] == " " and self.line[1] != " ": - line = self.line.split() - for p in line: - if p.isdigit(): - v = int(p) - tally.tallyParticles = np.append(tally.tallyParticles, v) - else: - print("\n \033[1;31m Problem with particle list in tally %d in %s -> exiting.\033[0m\n" % (tally.tallyNumber, self.mctalFileName), file=sys.stderr) - print(self.line) - sys.exit(1) + def __init__(self): + self.header = [] + self.data = [] - if len(tally.tallyParticles) != 0: - self.line = self.mctalFile.readline() - while self.line[0:5] == " "*5 and self.line[0].lower() != "f": - tally.tallyComment = np.append(tally.tallyComment, self.line[5:].rstrip()) - self.line = self.mctalFile.readline() +############################################################################################################################# - line = self.line.split() - if not tally.mesh: - tally.nCells = int(line[1]) +class MCTAL: + """This class parses the whole MCTAL file.""" + + def __init__(self, fname, verbose=False): + self.verbose = verbose + self.tallies = [] + self.thereAreNaNs = False + self.header = Header(verbose) + self.mctalFileName = fname + self.mctalFile = open(self.mctalFileName, "r") + self.line = ( + None # This variable will contain the read lines one by one, but it is + ) + # important to keep it global because the last value from getHeaders() + # must be already available as first value for parseTally(). This will + # also apply to successive calls to parseTally(). + self.kcode = KCODE() # array with kcode data + + def Read(self): + """This function calls the functions getHeaders and parseTally in order to read the entier MCTAL file.""" + + if self.verbose: + print("\n\033[1;34m[Parsing file: %s...]\033[0m" % self.mctalFileName) + + self.getHeaders() + self.getTallies() + + if self.thereAreNaNs and self.verbose: + print( + "\n \033[1;30mThe MCTAL file contains one or more tallies with NaN values. Flagged.\033[0m\n", + file=sys.stderr, + ) + + self.mctalFile.close() + return self.tallies + + def getHeaders(self): + """This function reads the first lines from the MCTAL file. We call "header" what is written from the beginning to the first "tally" keyword.""" + + self.line = self.mctalFile.readline().split() + + if len(self.line) == 7: + self.header.kod = self.line[0] + self.header.ver = self.line[1] + pID_date = self.line[2] + self.header.probid = np.append(self.header.probid, pID_date) + pID_time = self.line[3] + self.header.probid = np.append(self.header.probid, pID_time) + self.header.knod = int(self.line[4]) + self.header.nps = int(self.line[5]) + self.header.rnr = int(self.line[6]) + elif len(self.line) == 3: + self.header.knod = int(self.line[0]) + self.header.nps = int(self.line[1]) + self.header.rnr = int(self.line[2]) + + self.header.title = self.mctalFile.readline().strip() + + self.line = self.mctalFile.readline().split() + + self.header.ntal = int(self.line[1]) + + if self.header.ntal == 0: + print( + "\n \033[1;31mNo tallies in this MCTAL file. Exiting.\033[0m\n", + file=sys.stderr, + ) + sys.exit(1) + + if len(self.line) == 4: + self.header.npert = int(self.line[3]) + print( + "\n \033[1;31mMCTAL file with perturbation card. Not supported. Exiting.\033[0m\n", + file=sys.stderr, + ) + sys.exit(1) + + self.line = self.mctalFile.readline().split() + + while self.line[0].lower() != "tally": + for l in self.line: + self.header.ntals = np.append(self.header.ntals, int(l)) + self.line = self.mctalFile.readline().split() + + def getTallies(self): + """This function supervises the calls to parseTally() function. It will keep track of the position of cursor in the MCTAL file and stop execution when EOF is reached.""" + + EOF = False + + while not EOF: + EOF = self.parseTally() + + def parseTally(self): + """This function parses an entire tally.""" + + # The first line processed by this function is already in memory, either coming from the + # last readline() in Header class or from the previous call to parseTally() + + tally = Tally(int(self.line[1]), self.verbose) + + if self.verbose: + print(" \033[33mParsing tally: %5d\033[0m" % (tally.tallyNumber)) + + tally.typeNumber = int(self.line[2]) + if len(self.line) == 4: + tally.detectorType = int(self.line[3]) + + if ( + tally.detectorType is not None + ): # check for None is needed for MCNP6 and F1 tally + if tally.detectorType >= 3: + tally.radiograph = True + elif tally.detectorType <= -1: + tally.mesh = True + + self.line = self.mctalFile.readline() + # Some MCTAL files do not have the particle list + # (e.g. produced by MCNP5) so we need to check if it's + # present (line with particle list starts with space): + if self.line[0] == " " and self.line[1] != " ": + line = self.line.split() + for p in line: + if p.isdigit(): + v = int(p) + tally.tallyParticles = np.append(tally.tallyParticles, v) else: - tally.nCells = 1 - tally.meshInfo[0] = int(line[2]) # Unknown number - tally.meshInfo[1] = int(line[3]) # number of cora bins - tally.meshInfo[2] = int(line[4]) # number of corb bins - tally.meshInfo[3] = int(line[5]) # number of corc bins - - # Fix for detector tallies - if str(tally.tallyNumber)[-1] == '5': - for k in range(tally.nCells): - tally.cells = np.append(tally.cells, k + 1) - - self.line = self.mctalFile.readline() - - i = 0 - axisNumber = 0 - axisName = ('a','b','c') - corsVals = (tally.meshInfo[1], tally.meshInfo[2], tally.meshInfo[3]) - - while self.line[0].lower() != "d": # CELLS - if tally.mesh: - for c in self.line.split(): - if not tally.insertCorBin(axisName[axisNumber],float(c)): - raise IOError("Too many cells in the tally n. %d of %s" % (tally.tallyNumber, self.mctalFileName)) - i = i + 1 - if i == (corsVals[axisNumber] + 1): - axisNumber = axisNumber + 1 - i = 0 - elif "." in self.line and "E" not in self.line: - for c in self.line.split(): - if not tally.insertCell(float(c)): - raise IOError("Too many cells in the tally n. %d of %s" % (tally.tallyNumber, self.mctalFileName)) - else: - for c in self.line.split(): - if not tally.insertCell(int(c)): # This means that for some reason you are trying to - # insert more cells than the number stated in f - raise IOError("Too many cells in the tally n. %d of %s" % (tally.tallyNumber, self.mctalFileName)) - - self.line = self.mctalFile.readline() - - # DIR - self.line = self.line.split() - tally.nDir = int(self.line[1]) - - while self.line[0].lower() != "u": - self.line = self.mctalFile.readline() - - # USR - self.line = self.line.split() - if self.line[0].lower() == "ut": tally.usrTC = "t" - if self.line[0].lower() == "uc": tally.usrTC = "c" - tally.nUsr = int(self.line[1]) - - # USR BINS - self.line = self.mctalFile.readline() - while self.line[0].lower() != "s": - for u in self.line.split(): - if not tally.insertUsr(float(u)): - raise IOError("Too many user bins in the tally n. %d of %s" % (tally.tallyNumber, self.mctalFileName)) - self.line = self.mctalFile.readline() - - # SEG - self.line = self.line.split() - if self.line[0].lower() == "st": tally.segTC = "t" - if self.line[0].lower() == "sc": tally.segTC = "c" - tally.nSeg = int(self.line[1]) - - # SEGMENT BINS - self.line = self.mctalFile.readline() - while self.line[0].lower() != "m": - for s in self.line.split(): - if tally.radiograph: - if not tally.insertRadiograph("s",float(s)): - raise IOError("Too many segment bins in the tally n. %d of %s" % (tally.tallyNumber, self.mctalFileName)) - else: - if not tally.insertSeg(float(s)): - raise IOError("Too many segment bins in the tally n. %d of %s" % (tally.tallyNumber, self.mctalFileName)) - self.line = self.mctalFile.readline() - - # MUL - self.line = self.line.split() - if self.line[0].lower() == "mt": tally.mulTC = "t" - if self.line[0].lower() == "mc": tally.mulTC = "c" - tally.nMul = int(self.line[1]) - - while self.line[0].lower() != "c": - self.line = self.mctalFile.readline() + print( + "\n \033[1;31m Problem with particle list in tally %d in %s -> exiting.\033[0m\n" + % (tally.tallyNumber, self.mctalFileName), + file=sys.stderr, + ) + print(self.line) + sys.exit(1) + + if len(tally.tallyParticles) != 0: + self.line = self.mctalFile.readline() + + while self.line[0:5] == " " * 5 and self.line[0].lower() != "f": + tally.tallyComment = np.append(tally.tallyComment, self.line[5:].rstrip()) + self.line = self.mctalFile.readline() + + line = self.line.split() + + if not tally.mesh: + tally.nCells = int(line[1]) + else: + tally.nCells = 1 + tally.meshInfo[0] = int(line[2]) # Unknown number + tally.meshInfo[1] = int(line[3]) # number of cora bins + tally.meshInfo[2] = int(line[4]) # number of corb bins + tally.meshInfo[3] = int(line[5]) # number of corc bins + + # Fix for detector tallies + if str(tally.tallyNumber)[-1] == "5": + for k in range(tally.nCells): + tally.cells = np.append(tally.cells, k + 1) + + self.line = self.mctalFile.readline() + + i = 0 + axisNumber = 0 + axisName = ("a", "b", "c") + corsVals = (tally.meshInfo[1], tally.meshInfo[2], tally.meshInfo[3]) + + while self.line[0].lower() != "d": # CELLS + if tally.mesh: + for c in self.line.split(): + if not tally.insertCorBin(axisName[axisNumber], float(c)): + raise IOError( + "Too many cells in the tally n. %d of %s" + % (tally.tallyNumber, self.mctalFileName) + ) + i = i + 1 + if i == (corsVals[axisNumber] + 1): + axisNumber = axisNumber + 1 + i = 0 + elif "." in self.line and "E" not in self.line: + for c in self.line.split(): + if not tally.insertCell(float(c)): + raise IOError( + "Too many cells in the tally n. %d of %s" + % (tally.tallyNumber, self.mctalFileName) + ) + else: + for c in self.line.split(): + if not tally.insertCell( + int(c) + ): # This means that for some reason you are trying to + # insert more cells than the number stated in f + raise IOError( + "Too many cells in the tally n. %d of %s" + % (tally.tallyNumber, self.mctalFileName) + ) + + self.line = self.mctalFile.readline() + + # DIR + self.line = self.line.split() + tally.nDir = int(self.line[1]) + + while self.line[0].lower() != "u": + self.line = self.mctalFile.readline() + + # USR + self.line = self.line.split() + if self.line[0].lower() == "ut": + tally.usrTC = "t" + if self.line[0].lower() == "uc": + tally.usrTC = "c" + tally.nUsr = int(self.line[1]) + + # USR BINS + self.line = self.mctalFile.readline() + while self.line[0].lower() != "s": + for u in self.line.split(): + if not tally.insertUsr(float(u)): + raise IOError( + "Too many user bins in the tally n. %d of %s" + % (tally.tallyNumber, self.mctalFileName) + ) + self.line = self.mctalFile.readline() + + # SEG + self.line = self.line.split() + if self.line[0].lower() == "st": + tally.segTC = "t" + if self.line[0].lower() == "sc": + tally.segTC = "c" + tally.nSeg = int(self.line[1]) + + # SEGMENT BINS + self.line = self.mctalFile.readline() + while self.line[0].lower() != "m": + for s in self.line.split(): + if tally.radiograph: + if not tally.insertRadiograph("s", float(s)): + raise IOError( + "Too many segment bins in the tally n. %d of %s" + % (tally.tallyNumber, self.mctalFileName) + ) + else: + if not tally.insertSeg(float(s)): + raise IOError( + "Too many segment bins in the tally n. %d of %s" + % (tally.tallyNumber, self.mctalFileName) + ) + self.line = self.mctalFile.readline() + + # MUL + self.line = self.line.split() + if self.line[0].lower() == "mt": + tally.mulTC = "t" + if self.line[0].lower() == "mc": + tally.mulTC = "c" + tally.nMul = int(self.line[1]) + + while self.line[0].lower() != "c": + self.line = self.mctalFile.readline() + + # COS + self.line = self.line.split() + if self.line[0].lower() == "ct": + tally.cosTC = "t" + if self.line[0].lower() == "cc": + tally.cosTC = "c" + tally.nCos = int(self.line[1]) + if len(self.line) == 3: + tally.cosFlag = int(self.line[2]) + + # COSINE BINS + self.line = self.mctalFile.readline() + while self.line[0].lower() != "e": + for c in self.line.split(): + if tally.radiograph: + if not tally.insertRadiograph("t", float(c)): + raise IOError( + "Too many cosine bins in the tally n. %d of %s" + % (tally.tallyNumber, self.mctalFileName) + ) + else: + if not tally.insertCos(float(c)): + raise IOError( + "Too many cosine bins in the tally n. %d of %s" + % (tally.tallyNumber, self.mctalFileName) + ) + self.line = self.mctalFile.readline() + + # ERG + self.line = self.line.split() + if self.line[0].lower() == "et": + tally.ergTC = "t" + if self.line[0].lower() == "ec": + tally.cosTC = "c" + tally.nErg = int(self.line[1]) + if len(self.line) == 3: + tally.ergFlag = int(self.line[2]) + + # ENERGY BINS + self.line = self.mctalFile.readline() + while self.line[0].lower() != "t": + for e in self.line.split(): + if not tally.insertErg(float(e)): + raise IOError( + "Too many energy bins in the tally n. %d of %s" + % (tally.tallyNumber, self.mctalFileName) + ) + self.line = self.mctalFile.readline() + + # TIM + self.line = self.line.split() + if self.line[0].lower() == "tt": + tally.timTC = "t" + if self.line[0].lower() == "tc": + tally.timTC = "c" + tally.nTim = int(self.line[1]) + if len(self.line) == 3: + tally.timFlag = int(self.line[2]) + + # TIME BINS + self.line = self.mctalFile.readline() + while self.line.strip().lower() != "vals": + for t in self.line.split(): + if not tally.insertTim(float(t)): + raise IOError( + "Too many time bins in the tally n. %d of %s" + % (tally.tallyNumber, self.mctalFileName) + ) + self.line = self.mctalFile.readline() + + # VALS + f = 1 + Fld = [] + nFld = 0 + tally.initializeValuesVectors() + + nCells = tally.getNbins("f") + nCora = tally.getNbins("i") + nCorb = tally.getNbins("j") + nCorc = tally.getNbins("k") + nDir = tally.getNbins("d") + nUsr = tally.getNbins("u") + nSeg = tally.getNbins("s") + nMul = tally.getNbins("m") + nCos = tally.getNbins("c") + nErg = tally.getNbins("e") + nTim = tally.getNbins("t") + + for c in range(nCells): + for d in range(nDir): + for u in range(nUsr): + for s in range(nSeg): + for m in range(nMul): + for a in range(nCos): # a is for Angle...forgive me + for e in range(nErg): + for t in range(nTim): + for k in range(nCorc): + for j in range(nCorb): + for i in range(nCora): + if ( + f > nFld + ): # f is for Field...again, forgive me + del Fld + del self.line + self.line = ( + self.mctalFile.readline().strip() + ) + Fld = self.line.split() + nFld = len(Fld) - 1 + f = 0 + + if self.line[0:3] != "tfc": + # This needs to handle the bug like '8.23798-100' + try: + val = float(Fld[f]) + err = float(Fld[f + 1]) + except ValueError: + val = 0 + err = 0 + + if math.isnan( + val + ) or math.isnan(err): + self.thereAreNaNs = True + tally.insertValue( + c, + d, + u, + s, + m, + a, + e, + t, + i, + j, + k, + 0, + val, + ) + tally.insertValue( + c, + d, + u, + s, + m, + a, + e, + t, + i, + j, + k, + 1, + err, + ) + + f += 2 + + del Fld + + if tally.mesh == False: + # TFC JTF + self.line = self.mctalFile.readline().strip().split() + if self.line[0] != "tfc": + raise IOError( + "There seem to be more values than expected in tally n. %d of %s" + % (tally.tallyNumber, self.mctalFileName) + ) + + del self.line[0] + self.line = [int(i) for i in self.line] + + if not tally.insertTfcJtf(self.line): + raise IOError("Wrong number of TFC jtf elements.") + + # TFC DAT + self.line = self.mctalFile.readline().strip() + while "tally" not in self.line and len(self.line) != 0: + if "kcode" in self.line: + if self.verbose: + print( + "\n \033[1;31m KCODE card found in %s. Tallies below the KCODE records are not read.\033[0m\n" + % self.mctalFileName, + file=sys.stderr, + ) + self.tallies.append( + tally + ) # append the current tally (anyway it's finished) + + self.kcode.header = self.line.split()[1:] + for ( + self.line + ) in self.mctalFile.readlines(): # just read mctal until the end + self.kcode.data += map(float, self.line.split()) + + return True + # sys.exit(1) - # COS - self.line = self.line.split() - if self.line[0].lower() == "ct": tally.cosTC = "t" - if self.line[0].lower() == "cc": tally.cosTC = "c" - tally.nCos = int(self.line[1]) - if len(self.line) == 3: tally.cosFlag = int(self.line[2]) - - # COSINE BINS - self.line = self.mctalFile.readline() - while self.line[0].lower() != "e": - for c in self.line.split(): - if tally.radiograph: - if not tally.insertRadiograph("t",float(c)): - raise IOError("Too many cosine bins in the tally n. %d of %s" % (tally.tallyNumber, self.mctalFileName)) - else: - if not tally.insertCos(float(c)): - raise IOError("Too many cosine bins in the tally n. %d of %s" % (tally.tallyNumber, self.mctalFileName)) - self.line = self.mctalFile.readline() - - # ERG self.line = self.line.split() - if self.line[0].lower() == "et": tally.ergTC = "t" - if self.line[0].lower() == "ec": tally.cosTC = "c" - tally.nErg = int(self.line[1]) - if len(self.line) == 3: tally.ergFlag = int(self.line[2]) - - # ENERGY BINS - self.line = self.mctalFile.readline() - while self.line[0].lower() != "t": - for e in self.line.split(): - if not tally.insertErg(float(e)): - raise IOError("Too many energy bins in the tally n. %d of %s" % (tally.tallyNumber, self.mctalFileName)) - self.line = self.mctalFile.readline() - - # TIM - self.line = self.line.split() - if self.line[0].lower() == "tt": tally.timTC = "t" - if self.line[0].lower() == "tc": tally.timTC = "c" - tally.nTim = int(self.line[1]) - if len(self.line) == 3: tally.timFlag = int(self.line[2]) - - # TIME BINS - self.line = self.mctalFile.readline() - while self.line.strip().lower() != "vals": - for t in self.line.split(): - if not tally.insertTim(float(t)): - raise IOError("Too many time bins in the tally n. %d of %s" % (tally.tallyNumber, self.mctalFileName)) - self.line = self.mctalFile.readline() - - # VALS - f = 1 - Fld = [] - nFld = 0 - tally.initializeValuesVectors() - - nCells = tally.getNbins("f") - nCora = tally.getNbins("i") - nCorb = tally.getNbins("j") - nCorc = tally.getNbins("k") - nDir = tally.getNbins("d") - nUsr = tally.getNbins("u") - nSeg = tally.getNbins("s") - nMul = tally.getNbins("m") - nCos = tally.getNbins("c") - nErg = tally.getNbins("e") - nTim = tally.getNbins("t") - - for c in range(nCells): - for d in range(nDir): - for u in range(nUsr): - for s in range(nSeg): - for m in range(nMul): - for a in range(nCos): # a is for Angle...forgive me - for e in range(nErg): - for t in range(nTim): - for k in range(nCorc): - for j in range(nCorb): - for i in range(nCora): - if (f > nFld): # f is for Field...again, forgive me - del Fld - del self.line - self.line = self.mctalFile.readline().strip() - Fld = self.line.split() - nFld = len(Fld) - 1 - f = 0 - - if self.line[0:3] != "tfc": - # This needs to handle the bug like '8.23798-100' - try: - val = float(Fld[f]) - err = float(Fld[f+1]) - except ValueError: - val = 0 - err = 0 - - if math.isnan(val) or math.isnan(err): - self.thereAreNaNs = True - tally.insertValue(c,d,u,s,m,a,e,t,i,j,k,0,val) - tally.insertValue(c,d,u,s,m,a,e,t,i,j,k,1,err) - - f += 2 - - del Fld - - if tally.mesh == False: - # TFC JTF - self.line = self.mctalFile.readline().strip().split() - if self.line[0] != "tfc": - raise IOError("There seem to be more values than expected in tally n. %d of %s" % (tally.tallyNumber, self.mctalFileName)) - - del self.line[0] - self.line = [int(i) for i in self.line] - - if not tally.insertTfcJtf(self.line): - raise IOError("Wrong number of TFC jtf elements.") - - - # TFC DAT - self.line = self.mctalFile.readline().strip() - while "tally" not in self.line and len(self.line) != 0: - if "kcode" in self.line: - if self.verbose: - print("\n \033[1;31m KCODE card found in %s. Tallies below the KCODE records are not read.\033[0m\n" % self.mctalFileName, file=sys.stderr) - self.tallies.append(tally) # append the current tally (anyway it's finished) - - self.kcode.header = self.line.split()[1:] - for self.line in self.mctalFile.readlines(): # just read mctal until the end - self.kcode.data += map(float, self.line.split()) - - return True - # sys.exit(1) - - self.line = self.line.split() - - tfcDat = [] - - tfcDat.append(int(self.line[0])) - try: - val1 = float(self.line[1]) - except ValueError: - val1 = 0 - - if math.isnan(val1) or math.isnan(float(self.line[2])): - self.thereAreNaNs = True - - tfcDat.append(val1) - tfcDat.append(float(self.line[2])) - if len(self.line) == 4: - if math.isnan(val1): - self.thereAreNaNs = True - tfcDat.append(float(self.line[3])) - - if not tally.insertTfcDat(tfcDat): - raise IOError("Wrong number of elements in TFC data line in the tally n. %d of %s" % (tally.tallyNumber, self.mctalFileName)) - - self.line = self.mctalFile.readline().strip() - else: - while "tally" not in self.line and len(self.line) != 0: - self.line = self.mctalFile.readline().strip() + tfcDat = [] + tfcDat.append(int(self.line[0])) + try: + val1 = float(self.line[1]) + except ValueError: + val1 = 0 - self.tallies.append(tally) + if math.isnan(val1) or math.isnan(float(self.line[2])): + self.thereAreNaNs = True - if self.line == "": - self.line = self.line - return True - elif "tally" in self.line: - self.line = self.line.split() - return False + tfcDat.append(val1) + tfcDat.append(float(self.line[2])) + if len(self.line) == 4: + if math.isnan(val1): + self.thereAreNaNs = True + tfcDat.append(float(self.line[3])) + + if not tally.insertTfcDat(tfcDat): + raise IOError( + "Wrong number of elements in TFC data line in the tally n. %d of %s" + % (tally.tallyNumber, self.mctalFileName) + ) + + self.line = self.mctalFile.readline().strip() + + else: + while "tally" not in self.line and len(self.line) != 0: + self.line = self.mctalFile.readline().strip() + + self.tallies.append(tally) + + if self.line == "": + self.line = self.line + return True + elif "tally" in self.line: + self.line = self.line.split() + return False diff --git a/jade/__init__.py b/jade/__init__.py index e9c9ef48..9226fe7e 100644 --- a/jade/__init__.py +++ b/jade/__init__.py @@ -1 +1 @@ -from .__version__ import __version__ \ No newline at end of file +from .__version__ import __version__ diff --git a/jade/__version__.py b/jade/__version__.py index e931652e..528787cf 100644 --- a/jade/__version__.py +++ b/jade/__version__.py @@ -1 +1 @@ -__version__ = '3.0.0' \ No newline at end of file +__version__ = "3.0.0" diff --git a/jade/acepyne.py b/jade/acepyne.py index 60e9a730..30f8b6bd 100644 --- a/jade/acepyne.py +++ b/jade/acepyne.py @@ -17,30 +17,30 @@ """ from __future__ import division, unicode_literals + import io import struct -from warnings import warn -#from pyne.utils import QAWarning +from bisect import bisect_right +# from pyne.utils import QAWarning from collections import OrderedDict +from warnings import warn -#cimport numpy as np +# cimport numpy as np import numpy as np -from bisect import bisect_right -#from pyne cimport nucname -#from pyne import nucname -#from pyne.rxname import label +# from pyne cimport nucname +# from pyne import nucname +# from pyne.rxname import label # fromstring func should depend on numpy verison -#from pyne._utils import fromstring_split, fromstring_token -#cdef bint NP_LE_V15 = int(np.__version__.split('.')[1]) <= 5 and np.__version__.startswith('1') -NP_LE_V15 = int(np.__version__.split('.')[1]) <= 5 and np.__version__.startswith('1') - -#warn(__name__ + " is not yet QA compliant.", QAWarning) +# from pyne._utils import fromstring_split, fromstring_token +# cdef bint NP_LE_V15 = int(np.__version__.split('.')[1]) <= 5 and np.__version__.startswith('1') +NP_LE_V15 = int(np.__version__.split(".")[1]) <= 5 and np.__version__.startswith("1") +# warn(__name__ + " is not yet QA compliant.", QAWarning) -#def label(x, y=None, z="n"): +# def label(x, y=None, z="n"): # """label(x, y=None, z="n") # # Gives a short reaction label, useful for user interfaces. @@ -85,6 +85,7 @@ # lab = bytes( clab.c_str()).decode() # return lab + def fromstring_split(s, sep=None, dtype=float): """A replacement for numpy.fromstring() using the Python str.split() and np.array(). @@ -110,7 +111,7 @@ def fromstring_split(s, sep=None, dtype=float): fromstring_token : May faster depending on the data. """ - #cdef list rawdata + # cdef list rawdata rawdata = s.split(sep) return np.array(rawdata, dtype=dtype) @@ -128,7 +129,7 @@ def ascii_to_binary(ascii_file, binary_file): """ # Open ASCII file - ascii = open(ascii_file, 'r') + ascii = open(ascii_file, "r") # Set default record length record_length = 4096 @@ -138,49 +139,49 @@ def ascii_to_binary(ascii_file, binary_file): ascii.close() # Open binary file - binary = open(binary_file, 'wb') + binary = open(binary_file, "wb") idx = 0 while idx < len(lines): - #check if it's a > 2.0.0 version header - if lines[idx].split()[0][1] == '.': - if lines[idx + 1].split()[3] == '3': + # check if it's a > 2.0.0 version header + if lines[idx].split()[0][1] == ".": + if lines[idx + 1].split()[3] == "3": idx = idx + 3 else: - raise NotImplementedError('Only backwards compatible ACE' - 'headers currently supported') + raise NotImplementedError( + "Only backwards compatible ACE" "headers currently supported" + ) # Read/write header block - hz = lines[idx][:10].encode('UTF-8') + hz = lines[idx][:10].encode("UTF-8") aw0 = float(lines[idx][10:22]) tz = float(lines[idx][22:34]) - hd = lines[idx][35:45].encode('UTF-8') - hk = lines[idx + 1][:70].encode('UTF-8') - hm = lines[idx + 1][70:80].encode('UTF-8') - binary.write(struct.pack(str('=10sdd10s70s10s'), hz, aw0, tz, hd, hk, hm)) + hd = lines[idx][35:45].encode("UTF-8") + hk = lines[idx + 1][:70].encode("UTF-8") + hm = lines[idx + 1][70:80].encode("UTF-8") + binary.write(struct.pack(str("=10sdd10s70s10s"), hz, aw0, tz, hd, hk, hm)) # Read/write IZ/AW pairs - data = ' '.join(lines[idx + 2:idx + 6]).split() + data = " ".join(lines[idx + 2 : idx + 6]).split() iz = list(map(int, data[::2])) aw = list(map(float, data[1::2])) izaw = [item for sublist in zip(iz, aw) for item in sublist] - binary.write(struct.pack(str('=' + 16*'id'), *izaw)) + binary.write(struct.pack(str("=" + 16 * "id"), *izaw)) # Read/write NXS and JXS arrays. Null bytes are added at the end so # that XSS will start at the second record - nxs = list(map(int, ' '.join(lines[idx + 6:idx + 8]).split())) - jxs = list(map(int, ' '.join(lines[idx + 8:idx + 12]).split())) - binary.write(struct.pack(str('=16i32i{0}x'.format(record_length - 500)), - *(nxs + jxs))) + nxs = list(map(int, " ".join(lines[idx + 6 : idx + 8]).split())) + jxs = list(map(int, " ".join(lines[idx + 8 : idx + 12]).split())) + binary.write( + struct.pack(str("=16i32i{0}x".format(record_length - 500)), *(nxs + jxs)) + ) # Read/write XSS array. Null bytes are added to form a complete record # at the end of the file - n_lines = (nxs[0] + 3)//4 - xss = list(map(float, ' '.join(lines[ - idx + 12:idx + 12 + n_lines]).split())) - extra_bytes = record_length - ((len(xss)*8 - 1) % record_length + 1) - binary.write(struct.pack(str('={0}d{1}x'.format(nxs[0], extra_bytes)), - *xss)) + n_lines = (nxs[0] + 3) // 4 + xss = list(map(float, " ".join(lines[idx + 12 : idx + 12 + n_lines]).split())) + extra_bytes = record_length - ((len(xss) * 8 - 1) % record_length + 1) + binary.write(struct.pack(str("={0}d{1}x".format(nxs[0], extra_bytes)), *xss)) # Advance to next table in file idx += 12 + n_lines @@ -215,21 +216,21 @@ def __init__(self, filename): # Determine whether file is ASCII or binary self.f = None try: - self.f = io.open(filename, 'rb') + self.f = io.open(filename, "rb") # Grab 10 lines of the library - sb = b''.join([self.f.readline() for i in range(10)]) + sb = b"".join([self.f.readline() for i in range(10)]) # Try to decode it with ascii - sd = sb.decode('ascii') + sd = sb.decode("ascii") # No exception so proceed with ASCII - reopen in non-binary self.f.close() - self.f = io.open(filename, 'r') + self.f = io.open(filename, "r") self.f.seek(0) self.binary = False except UnicodeDecodeError: self.f.close() - self.f = open(filename, 'rb') + self.f = open(filename, "rb") self.binary = True # Set verbosity @@ -269,32 +270,33 @@ def _read_binary(self, table_names, recl_length=4096, entries=512): # Read name, atomic mass ratio, temperature, date, comment, and # material - name, awr, temp, date, comment, mat = \ - struct.unpack(str('=10sdd10s70s10s'), self.f.read(116)) + name, awr, temp, date, comment, mat = struct.unpack( + str("=10sdd10s70s10s"), self.f.read(116) + ) name = name.strip() # Read ZAID/awr combinations - data = struct.unpack(str('=' + 16*'id'), self.f.read(192)) + data = struct.unpack(str("=" + 16 * "id"), self.f.read(192)) # Read NXS - nxs = list(struct.unpack(str('=16i'), self.f.read(64))) + nxs = list(struct.unpack(str("=16i"), self.f.read(64))) # Determine length of XSS and number of records length = nxs[0] - n_records = (length + entries - 1)//entries + n_records = (length + entries - 1) // entries # name is bytes, make it a string name = name.decode() # verify that we are supposed to read this table in if (table_names is not None) and (name not in table_names): - self.f.seek(start_position + recl_length*(n_records + 1)) + self.f.seek(start_position + recl_length * (n_records + 1)) continue # ensure we have a valid table type if 0 == len(name) or name[-1] not in table_types: # TODO: Make this a proper exception. print("Unsupported table: " + name) - self.f.seek(start_position + recl_length*(n_records + 1)) + self.f.seek(start_position + recl_length * (n_records + 1)) continue # get the table @@ -306,12 +308,13 @@ def _read_binary(self, table_names, recl_length=4096, entries=512): self.tables[name] = table # Read JXS - table.jxs = list(struct.unpack(str('=32i'), self.f.read(128))) + table.jxs = list(struct.unpack(str("=32i"), self.f.read(128))) # Read XSS self.f.seek(start_position + recl_length) - table.xss = list(struct.unpack(str('={0}d'.format(length)), - self.f.read(length*8))) + table.xss = list( + struct.unpack(str("={0}d".format(length)), self.f.read(length * 8)) + ) # Insert empty object at beginning of NXS, JXS, and XSS # arrays so that the indexing will be the same as @@ -331,23 +334,23 @@ def _read_binary(self, table_names, recl_length=4096, entries=512): table._read_all() # Advance to next record - self.f.seek(start_position + recl_length*(n_records + 1)) + self.f.seek(start_position + recl_length * (n_records + 1)) def _read_ascii(self, table_names): - #cdef list lines, rawdata + # cdef list lines, rawdata f = self.f tables_seen = set() - #cdef int i + # cdef int i lines = [f.readline() for i in range(13)] - while (0 != len(lines)) and (lines[0] != ''): + while (0 != len(lines)) and (lines[0] != ""): # Read name of table, atomic mass ratio, and temperature. If first # line is empty, we are at end of file # check if it's a 2.0 style header - if lines[0].split()[0][1] == '.': + if lines[0].split()[0][1] == ".": words = lines[0].split() version = words[0] name = words[1] @@ -366,10 +369,10 @@ def _read_ascii(self, table_names): awr = float(words[1]) temp = float(words[2]) - datastr = '0 ' + ' '.join(lines[6:8]) + datastr = "0 " + " ".join(lines[6:8]) nxs = fromstring_split(datastr, dtype=int) - n_lines = (nxs[1] + 3)//4 + n_lines = (nxs[1] + 3) // 4 n_bytes = len(lines[-1]) * (n_lines - 2) + 1 # Ensure that we have more tables to read in @@ -396,9 +399,9 @@ def _read_ascii(self, table_names): # read and and fix over-shoot lines += f.readlines(n_bytes) - if 12+n_lines < len(lines): - goback = sum([len(line) for line in lines[12+n_lines:]]) - lines = lines[:12+n_lines] + if 12 + n_lines < len(lines): + goback = sum([len(line) for line in lines[12 + n_lines :]]) + lines = lines[: 12 + n_lines] cur = f.tell() f.seek(cur - goback) @@ -420,16 +423,16 @@ def _read_ascii(self, table_names): # specification. table.nxs = nxs - datastr = '0 ' + ' '.join(lines[8:12]) + datastr = "0 " + " ".join(lines[8:12]) table.jxs = fromstring_split(datastr, dtype=int) - datastr = '0.0 ' + ''.join(lines[12:12+n_lines]) + datastr = "0.0 " + "".join(lines[12 : 12 + n_lines]) if NP_LE_V15: - #table.xss = np.fromstring(datastr, sep=" ") + # table.xss = np.fromstring(datastr, sep=" ") table.xss = fromstring_split(datastr, dtype=float) else: table.xss = fromstring_split(datastr, dtype=float) - #table.xss = fromstring_token(datastr, inplace=True, maxsize=4*n_lines+1) + # table.xss = fromstring_token(datastr, inplace=True, maxsize=4*n_lines+1) # Read all data blocks table._read_all() @@ -543,7 +546,7 @@ def __init__(self, name, awr, temp): self.photon_reactions = OrderedDict() def __repr__(self): - if hasattr(self, 'name'): + if hasattr(self, "name"): return "".format(self.name) else: return "" @@ -573,7 +576,7 @@ def _read_cross_sections(self): their Q-values and multiplicites. """ - #cdef int n_energies, n_reactions, loc + # cdef int n_energies, n_reactions, loc # Determine number of energies on nuclide grid and number of reactions # excluding elastic scattering @@ -583,7 +586,7 @@ def _read_cross_sections(self): # Read energy grid and total, absorption, elastic scattering, and # heating cross sections -- note that this appear separate from the rest # of the reaction cross sections - arr = self.xss[self.jxs[1]:self.jxs[1] + 5*n_energies] + arr = self.xss[self.jxs[1] : self.jxs[1] + 5 * n_energies] arr.shape = (5, n_energies) self.energy, self.sigma_t, self.sigma_a, sigma_el, self.heating = arr @@ -596,10 +599,11 @@ def _read_cross_sections(self): self.reactions[2] = elastic_scatter # Create all other reactions with MT values - mts = np.asarray(self.xss[self.jxs[3]:self.jxs[3] + n_reactions], dtype=int) - qvalues = np.asarray(self.xss[self.jxs[4]:self.jxs[4] + - n_reactions], dtype=float) - tys = np.asarray(self.xss[self.jxs[5]:self.jxs[5] + n_reactions], dtype=int) + mts = np.asarray(self.xss[self.jxs[3] : self.jxs[3] + n_reactions], dtype=int) + qvalues = np.asarray( + self.xss[self.jxs[4] : self.jxs[4] + n_reactions], dtype=float + ) + tys = np.asarray(self.xss[self.jxs[5] : self.jxs[5] + n_reactions], dtype=int) # Create all reactions other than elastic scatter reactions = [(mt, Reaction(mt, self)) for mt in mts] @@ -611,7 +615,7 @@ def _read_cross_sections(self): # should be treated in the center-of-mass or lab system reaction.Q = qvalues[i] reaction.multiplicity = abs(tys[i]) - reaction.center_of_mass = (tys[i] < 0) + reaction.center_of_mass = tys[i] < 0 # Get locator for cross-section data loc = int(self.xss[self.jxs[6] + i]) @@ -623,14 +627,15 @@ def _read_cross_sections(self): n_energies = int(self.xss[self.jxs[7] + loc]) # Read reaction cross section - reaction.sigma = self.xss[self.jxs[7] + loc + 1: - self.jxs[7] + loc + 1 + n_energies] + reaction.sigma = self.xss[ + self.jxs[7] + loc + 1 : self.jxs[7] + loc + 1 + n_energies + ] def _read_nu(self): """Read the NU block -- this contains information on the prompt and delayed neutron precursor yields, decay constants, etc """ - #cdef int ind, i, jxs2, KNU, LNU, NR, NE, NC + # cdef int ind, i, jxs2, KNU, LNU, NR, NE, NC jxs2 = self.jxs[2] @@ -646,19 +651,21 @@ def _read_nu(self): # Polynomial function form of nu if LNU == 1: self.nu_t_type = "polynomial" - NC = int(self.xss[KNU+1]) - coeffs = self.xss[KNU+2 : KNU+2+NC] + NC = int(self.xss[KNU + 1]) + coeffs = self.xss[KNU + 2 : KNU + 2 + NC] # Tabular data form of nu elif LNU == 2: self.nu_t_type = "tabular" - NR = int(self.xss[KNU+1]) + NR = int(self.xss[KNU + 1]) if NR > 0: - interp_NBT = self.xss[KNU+2 : KNU+2+NR ] - interp_INT = self.xss[KNU+2+NR : KNU+2+2*NR] - NE = int(self.xss[KNU+2+2*NR]) - self.nu_t_energy = self.xss[KNU+3+2*NR : KNU+3+2*NR+NE ] - self.nu_t_value = self.xss[KNU+3+2*NR+NE : KNU+3+2*NR+2*NE] + interp_NBT = self.xss[KNU + 2 : KNU + 2 + NR] + interp_INT = self.xss[KNU + 2 + NR : KNU + 2 + 2 * NR] + NE = int(self.xss[KNU + 2 + 2 * NR]) + self.nu_t_energy = self.xss[KNU + 3 + 2 * NR : KNU + 3 + 2 * NR + NE] + self.nu_t_value = self.xss[ + KNU + 3 + 2 * NR + NE : KNU + 3 + 2 * NR + 2 * NE + ] # Both prompt nu and total nu elif self.xss[jxs2] < 0: KNU = jxs2 + 1 @@ -667,19 +674,21 @@ def _read_nu(self): # Polynomial function form of nu if LNU == 1: self.nu_p_type = "polynomial" - NC = int(self.xss[KNU+1]) - coeffs = self.xss[KNU+2 : KNU+2+NC] + NC = int(self.xss[KNU + 1]) + coeffs = self.xss[KNU + 2 : KNU + 2 + NC] # Tabular data form of nu elif LNU == 2: self.nu_p_type = "tabular" - NR = int(self.xss[KNU+1]) + NR = int(self.xss[KNU + 1]) if NR > 0: - interp_NBT = self.xss[KNU+2 : KNU+2+NR ] - interp_INT = self.xss[KNU+2+NR : KNU+2+2*NR] - NE = int(self.xss[KNU+2+2*NR]) - self.nu_p_energy = self.xss[KNU+3+2*NR : KNU+3+2*NR+NE ] - self.nu_p_value = self.xss[KNU+3+2*NR+NE : KNU+3+2*NR+2*NE] + interp_NBT = self.xss[KNU + 2 : KNU + 2 + NR] + interp_INT = self.xss[KNU + 2 + NR : KNU + 2 + 2 * NR] + NE = int(self.xss[KNU + 2 + 2 * NR]) + self.nu_p_energy = self.xss[KNU + 3 + 2 * NR : KNU + 3 + 2 * NR + NE] + self.nu_p_value = self.xss[ + KNU + 3 + 2 * NR + NE : KNU + 3 + 2 * NR + 2 * NE + ] KNU = jxs2 + int(abs(self.xss[jxs2])) + 1 LNU = int(self.xss[KNU]) @@ -687,30 +696,34 @@ def _read_nu(self): # Polynomial function form of nu if LNU == 1: self.nu_t_type = "polynomial" - NC = int(self.xss[KNU+1]) - coeffs = self.xss[KNU+2 : KNU+2+NC] + NC = int(self.xss[KNU + 1]) + coeffs = self.xss[KNU + 2 : KNU + 2 + NC] # Tabular data form of nu elif LNU == 2: self.nu_t_type = "tabular" - NR = int(self.xss[KNU+1]) + NR = int(self.xss[KNU + 1]) if NR > 0: - interp_NBT = self.xss[KNU+2 : KNU+2+NR ] - interp_INT = self.xss[KNU+2+NR : KNU+2+2*NR] - NE = int(self.xss[KNU+2+2*NR]) - self.nu_t_energy = self.xss[KNU+3+2*NR : KNU+3+2*NR+NE ] - self.nu_t_value = self.xss[KNU+3+2*NR+NE : KNU+3+2*NR+2*NE] + interp_NBT = self.xss[KNU + 2 : KNU + 2 + NR] + interp_INT = self.xss[KNU + 2 + NR : KNU + 2 + 2 * NR] + NE = int(self.xss[KNU + 2 + 2 * NR]) + self.nu_t_energy = self.xss[KNU + 3 + 2 * NR : KNU + 3 + 2 * NR + NE] + self.nu_t_value = self.xss[ + KNU + 3 + 2 * NR + NE : KNU + 3 + 2 * NR + 2 * NE + ] # Check for delayed nu data if self.jxs[24] > 0: KNU = self.jxs[24] - NR = int(self.xss[KNU+1]) + NR = int(self.xss[KNU + 1]) if NR > 0: - interp_NBT = self.xss[KNU+2 : KNU+2+NR ] - interp_INT = self.xss[KNU+2+NR : KNU+2+2*NR] - NE = int(self.xss[KNU+2+2*NR]) - self.nu_d_energy = self.xss[KNU+3+2*NR : KNU+3+2*NR+NE ] - self.nu_d_value = self.xss[KNU+3+2*NR+NE : KNU+3+2*NR+2*NE] + interp_NBT = self.xss[KNU + 2 : KNU + 2 + NR] + interp_INT = self.xss[KNU + 2 + NR : KNU + 2 + 2 * NR] + NE = int(self.xss[KNU + 2 + 2 * NR]) + self.nu_d_energy = self.xss[KNU + 3 + 2 * NR : KNU + 3 + 2 * NR + NE] + self.nu_d_value = self.xss[ + KNU + 3 + 2 * NR + NE : KNU + 3 + 2 * NR + 2 * NE + ] # Delayed neutron precursor distribution self.nu_d_precursor_const = {} @@ -720,14 +733,18 @@ def _read_nu(self): n_group = self.nxs[8] for group in range(n_group): self.nu_d_precursor_const[group] = self.xss[i] - NR = int(self.xss[i+1]) + NR = int(self.xss[i + 1]) if NR > 0: - interp_NBT = self.xss[i+2 : i+2+NR] - interp_INT = self.xss[i+2+NR : i+2+2*NR] - NE = int(self.xss[i+2+2*NR]) - self.nu_d_precursor_energy[group] = self.xss[i+3+2*NR : i+3+2*NR+NE ] - self.nu_d_precursor_prob[group] = self.xss[i+3+2*NR+NE : i+3+2*NR+2*NE] - i = i+3+2*NR+2*NE + interp_NBT = self.xss[i + 2 : i + 2 + NR] + interp_INT = self.xss[i + 2 + NR : i + 2 + 2 * NR] + NE = int(self.xss[i + 2 + 2 * NR]) + self.nu_d_precursor_energy[group] = self.xss[ + i + 3 + 2 * NR : i + 3 + 2 * NR + NE + ] + self.nu_d_precursor_prob[group] = self.xss[ + i + 3 + 2 * NR + NE : i + 3 + 2 * NR + 2 * NE + ] + i = i + 3 + 2 * NR + 2 * NE # Energy distribution for delayed fission neutrons LED = self.jxs[26] @@ -735,15 +752,14 @@ def _read_nu(self): for group in range(n_group): location_start = int(self.xss[LED + group]) energy_dist = self._get_energy_distribution( - location_start, delayed_n=True) + location_start, delayed_n=True + ) self.nu_d_energy_dist.append(energy_dist) - def _read_angular_distributions(self): - """Find the angular distribution for each reaction MT - """ - #cdef int ind, i, j, n_reactions, n_energies, n_bins - #cdef dict ang_cos, ang_pdf, ang_cdf + """Find the angular distribution for each reaction MT""" + # cdef int ind, i, j, n_reactions, n_energies, n_bins + # cdef dict ang_cos, ang_pdf, ang_cdf # Number of reactions with secondary neutrons (including elastic # scattering) @@ -770,11 +786,11 @@ def _read_angular_distributions(self): n_energies = int(self.xss[ind - 1]) # Incoming energy grid - reaction.ang_energy_in = self.xss[ind:ind + n_energies] + reaction.ang_energy_in = self.xss[ind : ind + n_energies] ind += n_energies # Read locations for angular distributions - locations = np.asarray(self.xss[ind:ind + n_energies], dtype=int) + locations = np.asarray(self.xss[ind : ind + n_energies], dtype=int) ind += n_energies ang_cos = {} @@ -784,22 +800,22 @@ def _read_angular_distributions(self): if location > 0: # Equiprobable 32 bin distribution # print([reaction,'equiprobable']) - ang_cos[j] = self.xss[ind:ind + 33] + ang_cos[j] = self.xss[ind : ind + 33] ind += 33 elif location < 0: # Tabular angular distribution JJ = int(self.xss[ind]) n_bins = int(self.xss[ind + 1]) ind += 2 - ang_dat = self.xss[ind:ind + 3*n_bins] + ang_dat = self.xss[ind : ind + 3 * n_bins] ang_dat.shape = (3, n_bins) ang_cos[j], ang_pdf[j], ang_cdf[j] = ang_dat ind += 3 * n_bins else: # Isotropic angular distribution - ang_cos = np.array([-1., 0., 1.]) + ang_cos = np.array([-1.0, 0.0, 1.0]) ang_pdf = np.array([0.5, 0.5, 0.5]) - ang_cdf = np.array([0., 0.5, 1.]) + ang_cdf = np.array([0.0, 0.5, 1.0]) reaction.ang_cos = ang_cos reaction.ang_pdf = ang_pdf @@ -809,14 +825,16 @@ def _read_energy_distributions(self): """Determine the energy distribution for secondary neutrons for each reaction MT """ - #cdef int i + # cdef int i # Number of reactions with secondary neutrons other than elastic # scattering. For elastic scattering, the outgoing energy can be # determined from kinematics. n_reactions = self.nxs[5] - for i, reaction in enumerate(list(self.reactions.values())[1:n_reactions + 1]): + for i, reaction in enumerate( + list(self.reactions.values())[1 : n_reactions + 1] + ): # Determine locator for ith energy distribution location_start = int(self.xss[self.jxs[10] + i]) @@ -828,7 +846,7 @@ def _get_energy_distribution(self, location_start, delayed_n=False): location_start. """ - #cdef int ind, i, n_reactions, NE, n_regions, location_next_law, law, location_data, NPE, NPA + # cdef int ind, i, n_reactions, NE, n_regions, location_next_law, law, location_data, NPE, NPA # Create EnergyDistribution object edist = EnergyDistribution() @@ -843,14 +861,14 @@ def _get_energy_distribution(self, location_start, delayed_n=False): ind = location_dist + location_start - 1 location_next_law = int(self.xss[ind]) - law = int(self.xss[ind+1]) - location_data = int(self.xss[ind+2]) + law = int(self.xss[ind + 1]) + location_data = int(self.xss[ind + 2]) # Number of interpolation regions for law applicability regime - n_regions = int(self.xss[ind+3]) + n_regions = int(self.xss[ind + 3]) ind += 4 if n_regions > 0: - dat = np.asarray(self.xss[ind:ind + 2*n_regions], dtype=int) + dat = np.asarray(self.xss[ind : ind + 2 * n_regions], dtype=int) dat.shape = (2, n_regions) interp_NBT, interp_INT = dat ind += 2 * n_regions @@ -858,7 +876,7 @@ def _get_energy_distribution(self, location_start, delayed_n=False): # Determine tabular energy points and probability of law # validity NE = int(self.xss[ind]) - dat = self.xss[ind+1:ind+1+2*NE] + dat = self.xss[ind + 1 : ind + 1 + 2 * NE] dat.shape = (2, NE) edist.energy, edist.pvalid = dat @@ -870,73 +888,76 @@ def _get_energy_distribution(self, location_start, delayed_n=False): n_regions = int(self.xss[ind]) ind += 1 if n_regions > 0: - dat = np.asarray(self.xss[ind:ind+2*n_regions], dtype=int) + dat = np.asarray(self.xss[ind : ind + 2 * n_regions], dtype=int) dat.shape = (2, n_regions) edist.NBT, edist.INT = dat ind += 2 * n_regions # Number of outgoing energies in each E_out table NE = int(self.xss[ind]) - edist.energy_in = self.xss[ind+1:ind+1+NE] + edist.energy_in = self.xss[ind + 1 : ind + 1 + NE] ind += 1 + NE # Read E_out tables NET = int(self.xss[ind]) - dat = self.xss[ind+1:ind+1+3*NET] + dat = self.xss[ind + 1 : ind + 1 + 3 * NET] dat.shape = (3, NET) - self.e_dist_energy_out1, self.e_dist_energy_out2, \ - self.e_dist_energy_outNE = dat + ( + self.e_dist_energy_out1, + self.e_dist_energy_out2, + self.e_dist_energy_outNE, + ) = dat ind += 1 + 3 * NET elif law == 2: # Discrete photon energy self.e_dist_LP = int(self.xss[ind]) - self.e_dist_EG = self.xss[ind+1] + self.e_dist_EG = self.xss[ind + 1] ind += 2 elif law == 3: # Level scattering (ENDF Law 3) - edist.data = self.xss[ind:ind+2] + edist.data = self.xss[ind : ind + 2] ind += 2 elif law == 4: # Continuous tabular distribution (ENDF Law 1) n_regions = int(self.xss[ind]) ind += 1 if n_regions > 0: - dat = np.asarray(self.xss[ind:ind+2*n_regions], dtype=int) + dat = np.asarray(self.xss[ind : ind + 2 * n_regions], dtype=int) dat.shape = (2, n_regions) edist.NBT, edist.INT = dat ind += 2 * n_regions # Number of outgoing energies in each E_out table NE = int(self.xss[ind]) - edist.energy_in = self.xss[ind+1:ind+1+NE] - L = self.xss[ind+1+NE:ind+1+2*NE] - ind += 1 + 2*NE + edist.energy_in = self.xss[ind + 1 : ind + 1 + NE] + L = self.xss[ind + 1 + NE : ind + 1 + 2 * NE] + ind += 1 + 2 * NE nps = [] - edist.intt = [] # Interpolation scheme (1=hist, 2=lin-lin) + edist.intt = [] # Interpolation scheme (1=hist, 2=lin-lin) edist.energy_out = [] # Outgoing E grid for each incoming E - edist.pdf = [] # Probability dist for " " " - edist.cdf = [] # Cumulative dist for " " " + edist.pdf = [] # Probability dist for " " " + edist.cdf = [] # Cumulative dist for " " " for i in range(NE): INTTp = int(self.xss[ind]) if INTTp > 10: INTT = INTTp % 10 - ND = (INTTp - INTT)/10 + ND = (INTTp - INTT) / 10 else: INTT = INTTp ND = 0 edist.intt.append(INTT) - #if ND > 0: + # if ND > 0: # print [reaction, ND, INTT] - NP = int(self.xss[ind+1]) + NP = int(self.xss[ind + 1]) nps.append(NP) - dat = self.xss[ind+2:ind+2+3*NP] + dat = self.xss[ind + 2 : ind + 2 + 3 * NP] dat.shape = (3, NP) edist.energy_out.append(dat[0]) edist.pdf.append(dat[1]) edist.cdf.append(dat[2]) - ind += 2 + 3*NP + ind += 2 + 3 * NP # convert to arrays if possible edist.intt = np.array(edist.intt) @@ -950,98 +971,98 @@ def _get_energy_distribution(self, location_start, delayed_n=False): n_regions = int(self.xss[ind]) ind += 1 if n_regions > 0: - dat = np.asarray(self.xss[ind:ind+2*n_regions], dtype=int) + dat = np.asarray(self.xss[ind : ind + 2 * n_regions], dtype=int) dat.shape = (2, n_regions) edist.NBT, edist.INT = dat ind += 2 * n_regions NE = int(self.xss[ind]) - edist.energy_in = self.xss[ind+1:ind+1+NE] - edist.T = self.xss[ind+1+NE:ind+1+2*NE] - ind += 1+ 2*NE + edist.energy_in = self.xss[ind + 1 : ind + 1 + NE] + edist.T = self.xss[ind + 1 + NE : ind + 1 + 2 * NE] + ind += 1 + 2 * NE NET = int(self.xss[ind]) - edist.X = self.xss[ind+1:ind+1+NET] + edist.X = self.xss[ind + 1 : ind + 1 + NET] ind += 1 + NET elif law == 7: # Simple Maxwell fission spectrum (ENDF-6 File 5 LF=7) n_regions = int(self.xss[ind]) ind += 1 if n_regions > 0: - dat = np.asarray(self.xss[ind:ind+2*n_regions], dtype=int) + dat = np.asarray(self.xss[ind : ind + 2 * n_regions], dtype=int) dat.shape = (2, n_regions) edist.NBT, edist.INT = dat ind += 2 * n_regions NE = int(self.xss[ind]) - edist.energy_in = self.xss[ind+1:ind+1+NE] - edist.T = self.xss[ind+1+NE:ind+1+2*NE] - edist.U = self.xss[ind+1+2*NE] - ind += 2 + 2*NE + edist.energy_in = self.xss[ind + 1 : ind + 1 + NE] + edist.T = self.xss[ind + 1 + NE : ind + 1 + 2 * NE] + edist.U = self.xss[ind + 1 + 2 * NE] + ind += 2 + 2 * NE elif law == 9: # Evaporation spectrum (ENDF-6 File 5 LF=9) n_regions = int(self.xss[ind]) ind += 1 if n_regions > 0: - dat = np.asarray(self.xss[ind:ind+2*n_regions], dtype=int) + dat = np.asarray(self.xss[ind : ind + 2 * n_regions], dtype=int) dat.shape = (2, n_regions) edist.NBT, edist.INT = dat ind += 2 * n_regions NE = int(self.xss[ind]) - edist.energy_in = self.xss[ind+1:ind+1+NE] - edist.T = self.xss[ind+1+NE:ind+1+2*NE] - edist.U = self.xss[ind+1+2*NE] - ind += 2 + 2*NE + edist.energy_in = self.xss[ind + 1 : ind + 1 + NE] + edist.T = self.xss[ind + 1 + NE : ind + 1 + 2 * NE] + edist.U = self.xss[ind + 1 + 2 * NE] + ind += 2 + 2 * NE elif law == 11: # Energy dependent Watt spectrum (ENDF-6 File 5 LF=11) # Interpolation scheme between a's n_regions = int(self.xss[ind]) ind += 1 if n_regions > 0: - dat = np.asarray(self.xss[ind:ind+2*n_regions], dtype=int) + dat = np.asarray(self.xss[ind : ind + 2 * n_regions], dtype=int) dat.shape = (2, n_regions) edist.NBTa, edist.INTa = dat ind += 2 * n_regions # Incident energy table and tabulated a's NE = int(self.xss[ind]) - edist.energya_in = self.xss[ind+1:ind+1+NE] - edist.a = self.xss[ind+1+NE:ind+1+2*NE] - ind += 1 + 2*NE + edist.energya_in = self.xss[ind + 1 : ind + 1 + NE] + edist.a = self.xss[ind + 1 + NE : ind + 1 + 2 * NE] + ind += 1 + 2 * NE # Interpolation scheme between b's n_regions = int(self.xss[ind]) ind += 1 if n_regions > 0: - dat = np.asarray(self.xss[ind:ind+2*n_regions], dtype=int) + dat = np.asarray(self.xss[ind : ind + 2 * n_regions], dtype=int) dat.shape = (2, n_regions) edist.NBTb, edist.INTb = dat ind += 2 * n_regions # Incident energy table and tabulated b's NE = int(self.xss[ind]) - edist.energyb_in = self.xss[ind+1:ind+1+NE] - edist.b = self.xss[ind+1+NE:ind+1+2*NE] + edist.energyb_in = self.xss[ind + 1 : ind + 1 + NE] + edist.b = self.xss[ind + 1 + NE : ind + 1 + 2 * NE] - edist.U = self.xss[ind+1+2*NE] - ind += 2 + 2*NE + edist.U = self.xss[ind + 1 + 2 * NE] + ind += 2 + 2 * NE elif law == 22: # Tabular linear functions (UK Law 2) # Interpolation scheme (not used in MCNP) n_regions = int(self.xss[ind]) ind += 1 if n_regions > 0: - dat = np.asarray(self.xss[ind:ind+2*n_regions], dtype=int) + dat = np.asarray(self.xss[ind : ind + 2 * n_regions], dtype=int) dat.shape = (2, n_regions) edist.NBT, edist.INT = dat ind += 2 * n_regions # Number of incident energies NE = int(self.xss[ind]) - edist.energy_in = self.xss[ind+1:ind+1+NE] - LOCE = np.asarray(self.xss[ind+1+NE:ind+1+2*NE], dtype=int) - ind += 1 + 2*NE + edist.energy_in = self.xss[ind + 1 : ind + 1 + NE] + LOCE = np.asarray(self.xss[ind + 1 + NE : ind + 1 + 2 * NE], dtype=int) + ind += 1 + 2 * NE # Read linear functions nfs = [] @@ -1051,12 +1072,12 @@ def _get_energy_distribution(self, location_start, delayed_n=False): for i in range(NE): NF = int(self.xss[ind]) nfs.append(NF) - dat = self.xss[ind+1:ind+1+3*NF] + dat = self.xss[ind + 1 : ind + 1 + 3 * NF] dat.shape = (3, NF) edist.P.append(dat[0]) edist.T.append(dat[1]) edist.C.append(dat[2]) - ind += 1 + 3*NF + ind += 1 + 3 * NF # convert to arrays if possible nfs = np.array(nfs) @@ -1070,66 +1091,66 @@ def _get_energy_distribution(self, location_start, delayed_n=False): n_regions = int(self.xss[ind]) ind += 1 if n_regions > 0: - dat = np.asarray(self.xss[ind:ind+2*n_regions], dtype=int) + dat = np.asarray(self.xss[ind : ind + 2 * n_regions], dtype=int) dat.shape = (2, n_regions) edist.NBT, edist.INT = dat ind += 2 * n_regions # Number of incident energies NE = int(self.xss[ind]) - edist.energy_in = self.xss[ind+1:ind+1+NE] + edist.energy_in = self.xss[ind + 1 : ind + 1 + NE] ind += 1 + NE # Outgoing energy tables NET = int(self.xss[ind]) - edist.T = self.xss[ind+1:ind+1+NE*NET] + edist.T = self.xss[ind + 1 : ind + 1 + NE * NET] edist.T.shape = (NE, NET) - ind += 1 + NE*NET + ind += 1 + NE * NET elif law == 44: # Kalbach-87 Formalism (ENDF File 6 Law 1, LANG=2) # Interpolation scheme n_regions = int(self.xss[ind]) ind += 1 if n_regions > 0: - dat = np.asarray(self.xss[ind:ind+2*n_regions], dtype=int) + dat = np.asarray(self.xss[ind : ind + 2 * n_regions], dtype=int) dat.shape = (2, n_regions) edist.NBT, edist.INT = dat ind += 2 * n_regions # Number of outgoing energies in each E_out table NE = int(self.xss[ind]) - edist.energy_in = self.xss[ind+1:ind+1+NE] - L = np.asarray(self.xss[ind+1+NE:ind+1+2*NE], dtype=int) - ind += 1 + 2*NE + edist.energy_in = self.xss[ind + 1 : ind + 1 + NE] + L = np.asarray(self.xss[ind + 1 + NE : ind + 1 + 2 * NE], dtype=int) + ind += 1 + 2 * NE nps = [] - edist.intt = [] # Interpolation scheme (1=hist, 2=lin-lin) + edist.intt = [] # Interpolation scheme (1=hist, 2=lin-lin) edist.energy_out = [] # Outgoing E grid for each incoming E - edist.pdf = [] # Probability dist for " " " - edist.cdf = [] # Cumulative dist for " " " - edist.frac = [] # Precompound fraction for " " " - edist.ang = [] # Angular distribution slope for " " " + edist.pdf = [] # Probability dist for " " " + edist.cdf = [] # Cumulative dist for " " " + edist.frac = [] # Precompound fraction for " " " + edist.ang = [] # Angular distribution slope for " " " for i in range(NE): INTTp = int(self.xss[ind]) if INTTp > 10: INTT = INTTp % 10 - ND = (INTTp - INTT)/10 + ND = (INTTp - INTT) / 10 else: INTT = INTTp edist.intt.append(INTT) - NP = int(self.xss[ind+1]) + NP = int(self.xss[ind + 1]) nps.append(NP) ind += 2 - dat = self.xss[ind:ind+5*NP] + dat = self.xss[ind : ind + 5 * NP] dat.shape = (5, NP) edist.energy_out.append(dat[0]) edist.pdf.append(dat[1]) edist.cdf.append(dat[2]) edist.frac.append(dat[3]) edist.ang.append(dat[4]) - ind += 5*NP + ind += 5 * NP # convert to arrays if possible edist.intt = np.array(edist.intt) @@ -1144,47 +1165,47 @@ def _get_energy_distribution(self, location_start, delayed_n=False): n_regions = int(self.xss[ind]) ind += 1 if n_regions > 0: - dat = np.asarray(self.xss[ind:ind+2*n_regions], dtype=int) + dat = np.asarray(self.xss[ind : ind + 2 * n_regions], dtype=int) dat.shape = (2, n_regions) edist.NBT, edist.INT = dat ind += 2 * n_regions # Number of outgoing energies in each E_out table NE = int(self.xss[ind]) - edist.energy_in = self.xss[ind+1:ind+1+NE] - L = np.asarray(self.xss[ind+1+NE:ind+1+2*NE], dtype=int) - ind += 1 + 2*NE + edist.energy_in = self.xss[ind + 1 : ind + 1 + NE] + L = np.asarray(self.xss[ind + 1 + NE : ind + 1 + 2 * NE], dtype=int) + ind += 1 + 2 * NE npes = [] - edist.intt = [] # Interpolation scheme (1=hist, 2=lin-lin) + edist.intt = [] # Interpolation scheme (1=hist, 2=lin-lin) edist.energy_out = [] # Outgoing E grid for each incoming E - edist.pdf = [] # Probability dist for " " " - edist.cdf = [] # Cumulative dist for " " " + edist.pdf = [] # Probability dist for " " " + edist.cdf = [] # Cumulative dist for " " " npas = [] edist.a_dist_intt = [] - edist.a_dist_mu_out = [] # Cosine scattering angular grid - edist.a_dist_pdf = [] # Probability dist function + edist.a_dist_mu_out = [] # Cosine scattering angular grid + edist.a_dist_pdf = [] # Probability dist function edist.a_dist_cdf = [] for i in range(NE): INTTp = int(self.xss[ind]) if INTTp > 10: INTT = INTTp % 10 - ND = (INTTp - INTT)/10 + ND = (INTTp - INTT) / 10 else: INTT = INTTp edist.intt.append(INTT) # Secondary energy distribution - NPE = int(self.xss[ind+1]) + NPE = int(self.xss[ind + 1]) npes.append(NPE) - dat = self.xss[ind+2:ind+2+4*NPE] + dat = self.xss[ind + 2 : ind + 2 + 4 * NPE] dat.shape = (4, NPE) edist.energy_out.append(dat[0]) edist.pdf.append(dat[1]) edist.cdf.append(dat[2]) LC = np.asarray(dat[3], dtype=int) - ind += 2 + 4*NPE + ind += 2 + 4 * NPE # Secondary angular distribution edist.a_dist_intt.append([]) @@ -1193,14 +1214,14 @@ def _get_energy_distribution(self, location_start, delayed_n=False): edist.a_dist_cdf.append([]) for j in range(NPE): edist.a_dist_intt[-1].append(int(self.xss[ind])) - NPA = int(self.xss[ind+1]) + NPA = int(self.xss[ind + 1]) npas.append(NPA) - dat = self.xss[ind+2:ind+2+3*NPA] + dat = self.xss[ind + 2 : ind + 2 + 3 * NPA] dat.shape = (3, NPA) edist.a_dist_mu_out[-1].append(dat[0]) edist.a_dist_pdf[-1].append(dat[1]) edist.a_dist_cdf[-1].append(dat[2]) - ind += 2 + 3*NPA + ind += 2 + 3 * NPA # convert to arrays if possible edist.intt = np.array(edist.intt) @@ -1219,7 +1240,7 @@ def _get_energy_distribution(self, location_start, delayed_n=False): elif law == 66: # N-body phase space distribution (ENDF File 6 Law 6) edist.nbodies = int(self.xss[ind]) - edist.massratio = self.xss[ind+1] + edist.massratio = self.xss[ind + 1] ind += 2 elif law == 67: # Laboratory angle-energy law (ENDF File 6 Law 7) @@ -1227,26 +1248,24 @@ def _get_energy_distribution(self, location_start, delayed_n=False): n_regions = int(self.xss[ind]) ind += 1 if n_regions > 0: - dat = np.asarray(self.xss[ind:ind+2*n_regions], dtype=int) + dat = np.asarray(self.xss[ind : ind + 2 * n_regions], dtype=int) dat.shape = (2, n_regions) edist.NBT, edist.INT = dat ind += 2 * n_regions # Number of outgoing energies in each E_out table NE = int(self.xss[ind]) - edist.energy_in = self.xss[ind+1:ind+1+NE] - L = np.asarray(self.xss[ind+1+NE:ind+1+2*NE], dtype=int) - ind += 1 + 2*NE + edist.energy_in = self.xss[ind + 1 : ind + 1 + NE] + L = np.asarray(self.xss[ind + 1 + NE : ind + 1 + 2 * NE], dtype=int) + ind += 1 + 2 * NE # TODO: Read rest of data return edist - def _read_gpd(self): - """Read total photon production cross section. - """ - #cdef int ind, jxs12, NE + """Read total photon production cross section.""" + # cdef int ind, jxs12, NE jxs12 = self.jxs[12] if jxs12 != 0: @@ -1255,7 +1274,7 @@ def _read_gpd(self): # Read total photon production cross section ind = jxs12 - self.sigma_photon = self.xss[ind:ind+NE] + self.sigma_photon = self.xss[ind : ind + NE] # The MCNP manual also specifies that this block contains secondary # photon energies based on a 30x20 matrix formulation. However, the @@ -1287,7 +1306,7 @@ def _read_mtrp(self): """ LMT = self.jxs[13] NMT = self.nxs[6] - mts = np.asarray(self.xss[LMT:LMT+NMT], dtype=int) + mts = np.asarray(self.xss[LMT : LMT + NMT], dtype=int) rxs = [(mt, Reaction(mt, self)) for mt in mts] self.photon_reactions.update(rxs) @@ -1297,14 +1316,13 @@ def _read_lsigp(self): """ LXS = self.jxs[14] NMT = self.nxs[6] - loca = np.asarray(self.xss[LXS:LXS+NMT], dtype=int) + loca = np.asarray(self.xss[LXS : LXS + NMT], dtype=int) for loc, rxn in zip(loca, self.photon_reactions.values()): rxn.LOCA = loc def _read_sigp(self): - """Read cross-sections for each photon-producing reaction MT. - """ - #cdef int ind, jxs15, MFTYPE, n_regions, NE + """Read cross-sections for each photon-producing reaction MT.""" + # cdef int ind, jxs15, MFTYPE, n_regions, NE jxs15 = self.jxs[15] for rxn in self.photon_reactions.values(): @@ -1319,25 +1337,25 @@ def _read_sigp(self): # ENDF interpolation parameters n_regions = int(self.xss[ind]) - dat = np.asarray(self.xss[ind+1:ind+1+2*n_regions], dtype=int) + dat = np.asarray(self.xss[ind + 1 : ind + 1 + 2 * n_regions], dtype=int) dat.shape = (2, n_regions) NBT, INT = dat - ind += 1 + 2*n_regions + ind += 1 + 2 * n_regions # Energy-dependent yield NE = int(self.xss[ind]) - dat = self.xss[ind+1:ind+1+2*NE] + dat = self.xss[ind + 1 : ind + 1 + 2 * NE] dat.shape = (2, NE) rxn.e_yield, rxn.photon_yield = dat - ind += 1 + 2*NE + ind += 1 + 2 * NE elif MFTYPE == 13: # Cross-section data from ENDF File 13 # Energy grid index at which data starts rxn.IE = int(self.xss[ind]) - 1 # Cross sections - NE = int(self.xss[ind+1]) - self.sigma = self.xss[ind+2:ind+2+NE] + NE = int(self.xss[ind + 1]) + self.sigma = self.xss[ind + 2 : ind + 2 + NE] ind += 2 + NE else: raise ValueError("MFTYPE must be 12, 13, 16. Got {}".format(MFTYPE)) @@ -1348,14 +1366,14 @@ def _read_landp(self): """ jxs16 = self.jxs[16] NMT = self.nxs[6] - locb = np.asarray(self.xss[jxs16:jxs16+NMT], dtype=int) + locb = np.asarray(self.xss[jxs16 : jxs16 + NMT], dtype=int) for loc, rxn in zip(locb, self.photon_reactions.values()): rxn.LOCB = loc def _read_andp(self): """Find the angular distribution for each photon-producing reaction MT.""" - #cdef int ind, i, j, jxs17, NE + # cdef int ind, i, j, jxs17, NE jxs17 = self.jxs[17] for i, rxn in enumerate(self.photon_reactions.values()): @@ -1368,12 +1386,12 @@ def _read_andp(self): # Number of energies and incoming energy grid NE = int(self.xss[ind]) - self.a_dist_energy_in = self.xss[ind+1:ind+1+NE] + self.a_dist_energy_in = self.xss[ind + 1 : ind + 1 + NE] ind += 1 + NE # Location of tables associated with each outgoing angle # distribution - LC = np.asarray(self.xss[ind:ind+NE], dtype=int) + LC = np.asarray(self.xss[ind : ind + NE], dtype=int) # 32 equiprobable cosine bins for each incoming energy a_dist_mu_out = {} @@ -1381,7 +1399,7 @@ def _read_andp(self): if location == 0: continue ind = jxs17 + location - 1 - a_dist_mu_out[j] = self.xss[ind:ind+33] + a_dist_mu_out[j] = self.xss[ind : ind + 33] self.a_dist_mu_out = a_dist_mu_out def _read_yp(self): @@ -1392,7 +1410,7 @@ def _read_yp(self): ind = self.jxs[20] NYP = int(self.xss[ind]) if NYP > 0: - dat = np.asarray(self.xss[ind+1:ind+1+NYP], dtype=int) + dat = np.asarray(self.xss[ind + 1 : ind + 1 + NYP], dtype=int) self.MT_for_photon_yield = dat def _read_fis(self): @@ -1406,32 +1424,31 @@ def _read_fis(self): # Read fission cross sections self.IE_fission = int(self.xss[ind]) - 1 # Energy grid index - NE = int(self.xss[ind+1]) - self.sigma_f = self.xss[ind+2:ind+2+NE] + NE = int(self.xss[ind + 1]) + self.sigma_f = self.xss[ind + 2 : ind + 2 + NE] def _read_unr(self): - """Read the unresolved resonance range probability tables if present. - """ - #cdef int ind, N, M, INT, ILF, IOA, IFF + """Read the unresolved resonance range probability tables if present.""" + # cdef int ind, N, M, INT, ILF, IOA, IFF # Check if URR probability tables are present ind = self.jxs[23] if ind == 0: return - N = int(self.xss[ind]) # Number of incident energies - M = int(self.xss[ind+1]) # Length of probability table - INT = int(self.xss[ind+2]) # Interpolation parameter (2=lin-lin, 5=log-log) - ILF = int(self.xss[ind+3]) # Inelastic competition flag - IOA = int(self.xss[ind+4]) # Other absorption flag - IFF = int(self.xss[ind+5]) # Factors flag + N = int(self.xss[ind]) # Number of incident energies + M = int(self.xss[ind + 1]) # Length of probability table + INT = int(self.xss[ind + 2]) # Interpolation parameter (2=lin-lin, 5=log-log) + ILF = int(self.xss[ind + 3]) # Inelastic competition flag + IOA = int(self.xss[ind + 4]) # Other absorption flag + IFF = int(self.xss[ind + 5]) # Factors flag ind += 6 - self.urr_energy = self.xss[ind:ind+N] # Incident energies + self.urr_energy = self.xss[ind : ind + N] # Incident energies ind += N # Set up URR probability table - urr_table = self.xss[ind:ind+N*6*M] + urr_table = self.xss[ind : ind + N * 6 * M] urr_table.shape = (N, 6, M) self.urr_table = urr_table @@ -1440,14 +1457,16 @@ def find_reaction(self, mt): def __iter__(self): # Generators not supported in Cython - #for r in self.reactions.values(): + # for r in self.reactions.values(): # yield r return iter(self.reactions.values()) + class EnergyDistribution(object): def __init__(self): pass + class SabTable(AceTable): """A SabTable object contains thermal scattering data as represented by an S(alpha, beta) table. @@ -1494,7 +1513,6 @@ class SabTable(AceTable): """ - def __init__(self, name, awr, temp): super(SabTable, self).__init__(name, awr, temp) @@ -1505,22 +1523,20 @@ def _read_all(self): self._read_itca() def __repr__(self): - if hasattr(self, 'name'): + if hasattr(self, "name"): return "".format(self.name) else: return "" def _read_itie(self): - """Read energy-dependent inelastic scattering cross sections. - """ + """Read energy-dependent inelastic scattering cross sections.""" ind = self.jxs[1] NE = int(self.xss[ind]) - self.inelastic_e_in = self.xss[ind+1:ind+1+NE] - self.inelastic_sigma = self.xss[ind+1+NE:ind+1+2*NE] + self.inelastic_e_in = self.xss[ind + 1 : ind + 1 + NE] + self.inelastic_sigma = self.xss[ind + 1 + NE : ind + 1 + 2 * NE] def _read_itce(self): - """Read energy-dependent elastic scattering cross sections. - """ + """Read energy-dependent elastic scattering cross sections.""" # Determine if ITCE block exists ind = self.jxs[4] if ind == 0: @@ -1528,40 +1544,40 @@ def _read_itce(self): # Read values NE = int(self.xss[ind]) - self.elastic_e_in = self.xss[ind+1:ind+1+NE] - self.elastic_P = self.xss[ind+1+NE:ind+1+2*NE] + self.elastic_e_in = self.xss[ind + 1 : ind + 1 + NE] + self.elastic_P = self.xss[ind + 1 + NE : ind + 1 + 2 * NE] if self.nxs[5] == 4: - self.elastic_type = 'sigma=P' + self.elastic_type = "sigma=P" else: - self.elastic_type = 'sigma=P/E' + self.elastic_type = "sigma=P/E" def _read_itxe(self): - """Read coupled energy/angle distributions for inelastic scattering. - """ + """Read coupled energy/angle distributions for inelastic scattering.""" # Determine number of energies and angles NE_in = len(self.inelastic_e_in) NE_out = self.nxs[4] NMU = self.nxs[3] ind = self.jxs[3] - self.inelastic_e_out = self.xss[ind:ind+NE_in*NE_out*(NMU+2):NMU+2] + self.inelastic_e_out = self.xss[ + ind : ind + NE_in * NE_out * (NMU + 2) : NMU + 2 + ] self.inelastic_e_out.shape = (NE_in, NE_out) - self.inelastic_mu_out = self.xss[ind:ind+NE_in*NE_out*(NMU+2)] - self.inelastic_mu_out.shape = (NE_in, NE_out, NMU+2) - self.inelastic_mu_out = self.inelastic_mu_out[:,:,1:] + self.inelastic_mu_out = self.xss[ind : ind + NE_in * NE_out * (NMU + 2)] + self.inelastic_mu_out.shape = (NE_in, NE_out, NMU + 2) + self.inelastic_mu_out = self.inelastic_mu_out[:, :, 1:] def _read_itca(self): - """Read angular distributions for elastic scattering. - """ + """Read angular distributions for elastic scattering.""" NMU = self.nxs[6] if self.jxs[4] == 0 or NMU == -1: return ind = self.jxs[6] NE = len(self.elastic_e_in) - self.elastic_mu_out = self.xss[ind:ind+NE*NMU] + self.elastic_mu_out = self.xss[ind : ind + NE * NMU] self.elastic_mu_out.shape = (NE, NMU) @@ -1628,12 +1644,12 @@ class Reaction(object): """ def __init__(self, MT, table=None): - self.table = table # Reference to containing table - self.MT = MT # MT value - self.Q = None # Q-value - self.TY = None # Neutron release - self.IE = 0 # Energy grid index - self.sigma = [] # Cross section values + self.table = table # Reference to containing table + self.MT = MT # MT value + self.Q = None # Q-value + self.TY = None # Neutron release + self.IE = 0 # Energy grid index + self.sigma = [] # Cross section values def broaden(self, T_high): pass @@ -1646,7 +1662,7 @@ def threshold(self): return self.table.energy[self.IE] def __repr__(self): - #name = label(self.MT) + # name = label(self.MT) name = self.MT if name is not None: rep = "".format(self.MT, name) @@ -1661,7 +1677,7 @@ def __init__(self, name, awr, temp): super(DosimetryTable, self).__init__(name, awr, temp) def __repr__(self): - if hasattr(self, 'name'): + if hasattr(self, "name"): return "".format(self.name) else: return "" @@ -1673,7 +1689,7 @@ def __init__(self, name, awr, temp): super(NeutronDiscreteTable, self).__init__(name, awr, temp) def __repr__(self): - if hasattr(self, 'name'): + if hasattr(self, "name"): return "".format(self.name) else: return "" @@ -1685,7 +1701,7 @@ def __init__(self, name, awr, temp): super(NeutronMGTable, self).__init__(name, awr, temp) def __repr__(self): - if hasattr(self, 'name'): + if hasattr(self, "name"): return "".format(self.name) else: return "" @@ -1697,7 +1713,7 @@ def __init__(self, name, awr, temp): super(PhotoatomicTable, self).__init__(name, awr, temp) def __repr__(self): - if hasattr(self, 'name'): + if hasattr(self, "name"): return "".format(self.name) else: return "" @@ -1709,7 +1725,7 @@ def __init__(self, name, awr, temp): super(PhotoatomicMGTable, self).__init__(name, awr, temp) def __repr__(self): - if hasattr(self, 'name'): + if hasattr(self, "name"): return "".format(self.name) else: return "" @@ -1721,7 +1737,7 @@ def __init__(self, name, awr, temp): super(ElectronTable, self).__init__(name, awr, temp) def __repr__(self): - if hasattr(self, 'name'): + if hasattr(self, "name"): return "".format(self.name) else: return "" @@ -1733,11 +1749,12 @@ def __init__(self, name, awr, temp): super(PhotonuclearTable, self).__init__(name, awr, temp) def __repr__(self): - if hasattr(self, 'name'): + if hasattr(self, "name"): return "".format(self.name) else: return "" + table_types = { "c": NeutronTable, "t": SabTable, @@ -1747,9 +1764,10 @@ def __repr__(self): "m": NeutronMGTable, "g": PhotoatomicMGTable, "e": ElectronTable, - "u": PhotonuclearTable} + "u": PhotonuclearTable, +} -if __name__ == '__main__': +if __name__ == "__main__": # Might be nice to check environment variable DATAPATH to search for xsdir # and list files that could be read? pass @@ -1763,5 +1781,5 @@ def __repr__(self): "m": NeutronMGTable, "g": PhotoatomicMGTable, "e": ElectronTable, - "u": PhotonuclearTable} - \ No newline at end of file + "u": PhotonuclearTable, +} diff --git a/jade/atlas.py b/jade/atlas.py index 1b99785c..c78a19e5 100644 --- a/jade/atlas.py +++ b/jade/atlas.py @@ -21,22 +21,21 @@ You should have received a copy of the GNU General Public License along with JADE. If not, see . """ -import docx -# import win32com.client -import aspose.words -from docx.shared import Inches -from docx.enum.text import WD_ALIGN_PARAGRAPH -from docx.enum.table import WD_ALIGN_VERTICAL -from docx.oxml import OxmlElement -from docx.oxml.ns import qn -from docx.oxml.ns import nsdecls -from docx.oxml import parse_xml # from docx.shared import Pt import os + +# import win32com.client +import aspose.words +import docx import pandas as pd +from docx.enum.table import WD_ALIGN_VERTICAL +from docx.enum.text import WD_ALIGN_PARAGRAPH +from docx.oxml import OxmlElement, parse_xml +from docx.oxml.ns import nsdecls, qn +from docx.shared import Inches -class Atlas(): +class Atlas: def __init__(self, template, name): """ Atlas of plots for post-processing @@ -67,8 +66,8 @@ def __init__(self, template, name): self.name = name # Name of the Atlas (from libraries) # Open The Atlas template doc = docx.Document(template) - doc.add_heading('JADE ATLAS: '+name, level=0) - self.outname = 'atlas_' + name # Name for the outfile + doc.add_heading("JADE ATLAS: " + name, level=0) + self.outname = "atlas_" + name # Name for the outfile self.doc = doc # Word Document def insert_img(self, img, width=Inches(7.5)): @@ -76,8 +75,9 @@ def insert_img(self, img, width=Inches(7.5)): last_paragraph = self.doc.paragraphs[-1] last_paragraph.alignment = WD_ALIGN_PARAGRAPH.CENTER - def insert_df(self, df, caption=None, highlight=False, #, template_idx=None, - tablestyle=None): + def insert_df( + self, df, caption=None, highlight=False, tablestyle=None # , template_idx=None, + ): """ Inser a dataframe as a table in a Word file @@ -124,7 +124,7 @@ def insert_df(self, df, caption=None, highlight=False, #, template_idx=None, # Understand is safety margin is barely acceptable flag_almost = False try: - sm = float(row['Safety Margin']) + sm = float(row["Safety Margin"]) if sm > 1 and sm < 1.1: flag_almost = True except KeyError: @@ -141,17 +141,17 @@ def insert_df(self, df, caption=None, highlight=False, #, template_idx=None, cell.text = str(item) cell.vertical_alignment = WD_ALIGN_VERTICAL.CENTER for par in cell.paragraphs: - par.style = 'Table' + par.style = "Table" if highlight is not None: - if cell.text == 'NOK': + if cell.text == "NOK": self._highlightCell(cell) - elif cell.text == 'OK' and flag_almost: - self._highlightCell(cell, color='FFFF46') + elif cell.text == "OK" and flag_almost: + self._highlightCell(cell, color="FFFF46") if caption is not None: - paragraph = self.doc.add_paragraph('Table ', style='Didascalia') - self._wrapper(paragraph, 'table') - paragraph.add_run(' - '+caption) + paragraph = self.doc.add_paragraph("Table ", style="Didascalia") + self._wrapper(paragraph, "table") + paragraph.add_run(" - " + caption) # paragraph = doc.add_paragraph('Figure Text', style='Didascalia') return table @@ -183,35 +183,36 @@ def build(self, images_path, libmanager, mat_settings): tallies = [] for img in os.listdir(images_path): img_path = os.path.join(images_path, img) - pieces = img.split('-') + pieces = img.split("-") zaid = pieces[0] - tally = pieces[-1].split('.')[0] - zaidnum = zaid.split('.')[0] + tally = pieces[-1].split(".")[0] + zaidnum = zaid.split(".")[0] if tally not in tallies: tallies.append(tally) - images.append({'tally': tally, 'zaid': zaid, 'img': img_path, - 'num': zaidnum}) + images.append( + {"tally": tally, "zaid": zaid, "img": img_path, "num": zaidnum} + ) images = pd.DataFrame(images) # Reorder atlas - images['num'] = pd.to_numeric(images['num'].values, errors='coerce') - images.set_index('tally', inplace=True) + images["num"] = pd.to_numeric(images["num"].values, errors="coerce") + images.set_index("tally", inplace=True) for tally in tallies: - self.doc.add_heading('Tally N.'+str(tally), level=1) + self.doc.add_heading("Tally N." + str(tally), level=1) # Be sure of the reordering - df = images.loc[tally].sort_values('num') + df = images.loc[tally].sort_values("num") for idx, row in df.iterrows(): - title = 'Zaid: '+row['zaid'] + title = "Zaid: " + row["zaid"] try: - name, formula = libmanager.get_zaidname(row['zaid']) - title = title+' ('+name+' '+formula+')' + name, formula = libmanager.get_zaidname(row["zaid"]) + title = title + " (" + name + " " + formula + ")" except ValueError: # A material is passed instead of zaid - matname = mat_settings.loc[row['zaid'], 'Name'] - title = title+' ('+matname+')' + matname = mat_settings.loc[row["zaid"], "Name"] + title = title + " (" + matname + ")" self.doc.add_heading(title, level=2) - self.insert_img(row['img']) + self.insert_img(row["img"]) def save(self, outpath, pdfprint=True): """ @@ -229,15 +230,15 @@ def save(self, outpath, pdfprint=True): None. """ - outpath_word = os.path.join(outpath, self.outname+'.docx') - outpath_pdf = os.path.join(outpath, self.outname+'.pdf') + outpath_word = os.path.join(outpath, self.outname + ".docx") + outpath_pdf = os.path.join(outpath, self.outname + ".pdf") try: self.doc.save(outpath_word) except FileNotFoundError as e: - print(' The following is the original exception:') + print(" The following is the original exception:") print(e) - print('\n it may be due to invalid characters in the file name') + print("\n it may be due to invalid characters in the file name") if pdfprint: in_file = outpath_word @@ -245,21 +246,21 @@ def save(self, outpath, pdfprint=True): doc = aspose.words.Document(in_file) doc.save(out_file) - -# word = win32com.client.Dispatch('Word.Application') -# doc = word.Documents.Open(in_file) -# doc.ExportAsFixedFormat(OutputFileName=out_file, -# # 17 = PDF output, 18=XPS output -# ExportFormat=17, -# OpenAfterExport=False, -# # 0=Print (higher res), 1=Screen (lower res) -# OptimizeFor=0, -# # 0=No bookmarks, 1=Heading bookmarks only, 2=bookmarks match word bookmarks -# CreateBookmarks=1, -# DocStructureTags=True) -# -# doc.Close() -# word.Quit() + + # word = win32com.client.Dispatch('Word.Application') + # doc = word.Documents.Open(in_file) + # doc.ExportAsFixedFormat(OutputFileName=out_file, + # # 17 = PDF output, 18=XPS output + # ExportFormat=17, + # OpenAfterExport=False, + # # 0=Print (higher res), 1=Screen (lower res) + # OptimizeFor=0, + # # 0=No bookmarks, 1=Heading bookmarks only, 2=bookmarks match word bookmarks + # CreateBookmarks=1, + # DocStructureTags=True) + # + # doc.Close() + # word.Quit() @staticmethod def _wrapper(paragraph, ptype): @@ -278,27 +279,28 @@ def _wrapper(paragraph, ptype): None. """ - if ptype == 'table': - instruction = ' SEQ Table \\* ARABIC' - elif ptype == 'figure': - instruction = ' SEQ Figure \\* ARABIC' + if ptype == "table": + instruction = " SEQ Table \\* ARABIC" + elif ptype == "figure": + instruction = " SEQ Figure \\* ARABIC" else: - raise ValueError(ptype+' is not a supported paragraph type') + raise ValueError(ptype + " is not a supported paragraph type") run = run = paragraph.add_run() r = run._r - fldChar = OxmlElement('w:fldChar') - fldChar.set(qn('w:fldCharType'), 'begin') + fldChar = OxmlElement("w:fldChar") + fldChar.set(qn("w:fldCharType"), "begin") r.append(fldChar) - instrText = OxmlElement('w:instrText') + instrText = OxmlElement("w:instrText") instrText.text = instruction r.append(instrText) - fldChar = OxmlElement('w:fldChar') - fldChar.set(qn('w:fldCharType'), 'end') + fldChar = OxmlElement("w:fldChar") + fldChar.set(qn("w:fldCharType"), "end") r.append(fldChar) @staticmethod - def _highlightCell(cell, color='FBD4B4'): - shading_elm_1 = parse_xml(r'') + def _highlightCell(cell, color="FBD4B4"): + shading_elm_1 = parse_xml( + r'' + ) cell._tc.get_or_add_tcPr().append(shading_elm_1) diff --git a/jade/computational.py b/jade/computational.py index 5e254bbd..a8158aa8 100644 --- a/jade/computational.py +++ b/jade/computational.py @@ -60,16 +60,15 @@ def executeBenchmarksRoutines(session, lib: str, runoption, exp=False) -> None: for testname, row in config.iterrows(): # Check for active test first - if sys.platform.startswith('win'): - if ( - bool(row["Serpent"]) - or bool(row["OpenMC"]) - ): - print(f"\n" - f"'{testname}' selected. OpenMC and Serpent are not currently supported on Windows." - f"\n") + if sys.platform.startswith("win"): + if bool(row["Serpent"]) or bool(row["OpenMC"]): + print( + f"\n" + f"'{testname}' selected. OpenMC and Serpent are not currently supported on Windows." + f"\n" + ) row["Serpent"] = False - row["OpenMC"] = False + row["OpenMC"] = False if ( bool(row["OnlyInput"]) @@ -77,22 +76,21 @@ def executeBenchmarksRoutines(session, lib: str, runoption, exp=False) -> None: or bool(row["Serpent"]) or bool(row["OpenMC"]) or bool(row["d1S"]) - ): - if ( - bool(row["OnlyInput"]) - and not any([ + ): + if bool(row["OnlyInput"]) and not any( + [ bool(row["MCNP"]), bool(row["Serpent"]), bool(row["OpenMC"]), bool(row["d1S"]), - ]) + ] ): - if ( - testname in ["SphereSDDR", "FNG", "ITER_Cyl_SDDR"] - ): + if testname in ["SphereSDDR", "FNG", "ITER_Cyl_SDDR"]: row["d1S"] = True else: - print("Transport code was not specified or is not available for input generation, defaulting to MCNP") + print( + "Transport code was not specified or is not available for input generation, defaulting to MCNP" + ) print("") row["MCNP"] = True @@ -119,10 +117,12 @@ def executeBenchmarksRoutines(session, lib: str, runoption, exp=False) -> None: else: libpath = lib - if testname in ['FNG Bulk Blanket and Shielding Experiment', - 'FNG Tungsten', - 'ASPIS Iron-88 benchmark']: - var = {'00c': lib, '34y': '34y'} + if testname in [ + "FNG Bulk Blanket and Shielding Experiment", + "FNG Tungsten", + "ASPIS Iron-88 benchmark", + ]: + var = {"00c": lib, "34y": "34y"} else: var = lib @@ -131,7 +131,7 @@ def executeBenchmarksRoutines(session, lib: str, runoption, exp=False) -> None: safemkdir(outpath) fname = row["Folder Name"] inppath = os.path.join(session.path_inputs, fname) -# VRTpath = os.path.join(session.path_inputs, "ITER_Cyl_SDDR", "d1S") + # VRTpath = os.path.join(session.path_inputs, "ITER_Cyl_SDDR", "d1S") confpath = os.path.join(session.path_cnf, fname.split(".")[0]) # Generate test @@ -143,9 +143,18 @@ def executeBenchmarksRoutines(session, lib: str, runoption, exp=False) -> None: elif testname == "Sphere SDDR": test = testrun.SphereTestSDDR(*args) - elif fname in ['Oktavian', 'Tiara-BC', 'Tiara-BS', 'Tiara-FC', - 'FNS-TOF', 'FNG-BKT', 'FNG-W', 'ASPIS-Fe88', 'TUD-Fe', - 'TUD-W']: + elif fname in [ + "Oktavian", + "Tiara-BC", + "Tiara-BS", + "Tiara-FC", + "FNS-TOF", + "FNG-BKT", + "FNG-W", + "ASPIS-Fe88", + "TUD-Fe", + "TUD-W", + ]: test = testrun.MultipleTest(*args) elif fname == "FNG": diff --git a/jade/configuration.py b/jade/configuration.py index d1b7757f..2c57a9c7 100644 --- a/jade/configuration.py +++ b/jade/configuration.py @@ -22,11 +22,11 @@ along with JADE. If not, see . """ import datetime +import logging import os import sys import pandas as pd -import logging from jade.exceptions import fatal_exception diff --git a/jade/excelsupport.py b/jade/excelsupport.py index 399e2fe3..373f05c1 100644 --- a/jade/excelsupport.py +++ b/jade/excelsupport.py @@ -25,7 +25,6 @@ # import openpyxl import pandas as pd - # def createNewWorkbook(manyWb, theOne): # for wb in manyWb: # for sheetName in wb.sheetnames: @@ -68,29 +67,29 @@ def insert_df(startrow, startcolumn, df, ws, header=True): columns = list(df.columns) values = df.values if header: - for i, column in enumerate(range(startcolumn, - startcolumn+len(columns))): + for i, column in enumerate(range(startcolumn, startcolumn + len(columns))): value = columns[i] try: - ws.cell(column=column, row=startrow,value=value) - #ws.range((startrow, column)).value = value + ws.cell(column=column, row=startrow, value=value) + # ws.range((startrow, column)).value = value except (AttributeError, ValueError) as e: print(e) - print('Warning! header not printes: column,value', - column, value) - startrow = startrow+1 + print("Warning! header not printes: column,value", column, value) + startrow = startrow + 1 - for i, row in enumerate(range(startrow, startrow+len(df))): - for j, column in enumerate(range(startcolumn, - startcolumn+len(df.columns))): + for i, row in enumerate(range(startrow, startrow + len(df))): + for j, column in enumerate(range(startcolumn, startcolumn + len(df.columns))): value = values[i][j] try: - ws.cell(column=column,row=row,value=value) - #ws.range((row, column)).value = value + ws.cell(column=column, row=row, value=value) + # ws.range((row, column)).value = value except (AttributeError, ValueError) as e: print(e) - print('Warning! value not printed: row, column, value', row, - column, value) + print( + "Warning! value not printed: row, column, value", row, column, value + ) + + def single_excel_writer(self, outpath, lib, testname, tallies, stats=None): """ Produces single library summary excel file using XLSXwriter @@ -114,39 +113,40 @@ def single_excel_writer(self, outpath, lib, testname, tallies, stats=None): """ writer = pd.ExcelWriter(outpath, engine="xlsxwriter") - #for df in (tallies, errors): - #df.set_index("Zaid", inplace=True) + # for df in (tallies, errors): + # df.set_index("Zaid", inplace=True) startrow = 8 startcol = 1 max_len = 0 max_width = 0 df_positions = [] - print(tallies) for tally, results in tallies.items(): - #print(results) + # print(results) tally_len, tally_width = results["Value"].shape - df_positions.append([startrow,startcol]) - #print(pd.Series(results["title"])) - #pd.Series(results["title"]).to_excel(writer, startrow=startrow, startcol=startcol+1, sheet_name="Values", index=False, header=False) - results["Value"].to_excel(writer, startrow=startrow+1, startcol=startcol, sheet_name="Values") - results["Error"].to_excel(writer, startrow=startrow+1, startcol=startcol, sheet_name="Errors") + df_positions.append([startrow, startcol]) + # print(pd.Series(results["title"])) + # pd.Series(results["title"]).to_excel(writer, startrow=startrow, startcol=startcol+1, sheet_name="Values", index=False, header=False) + results["Value"].to_excel( + writer, startrow=startrow + 1, startcol=startcol, sheet_name="Values" + ) + results["Error"].to_excel( + writer, startrow=startrow + 1, startcol=startcol, sheet_name="Errors" + ) startrow = startrow + tally_len + 3 max_len = max_len + tally_len + 3 if tally_width > max_width: - max_width = tally_width + max_width = tally_width - wb = writer.book - tal_sheet = writer.sheets["Values"] + wb = writer.book + tal_sheet = writer.sheets["Values"] err_sheet = writer.sheets["Errors"] if stats is not None: - #stats.set_index("Zaid", inplace=True) - stats.to_excel( - writer, startrow=8, startcol=1, sheet_name="Statistical Checks" - ) + # stats.set_index("Zaid", inplace=True) + stats.to_excel(writer, startrow=8, startcol=1, sheet_name="Statistical Checks") stat_sheet = writer.sheets["Statistical Checks"] stats_len, stats_width = stats.shape @@ -161,9 +161,7 @@ def single_excel_writer(self, outpath, lib, testname, tallies, stats=None): } ) tally_format = wb.add_format({"bg_color": "#D9D9D9"}) - merge_format = wb.add_format( - {"align": "center", "valign": "center", "border": 2} - ) + merge_format = wb.add_format({"align": "center", "valign": "center", "border": 2}) title_merge_format = wb.add_format( { "font_size": "36", @@ -200,14 +198,16 @@ def single_excel_writer(self, outpath, lib, testname, tallies, stats=None): "B3:L8", "{} RESULTS RECAP: TALLIES".format(testname), title_merge_format ) for tal in range(len(df_positions)): - tal_sheet.merge_range(df_positions[tal][0], - df_positions[tal][1] + 1, - df_positions[tal][0], - df_positions[tal][1] + 4, - list(tallies.values())[tal]["title"], - subtitle_merge_format) - #tal_sheet.merge_range("B8:C8", "ZAID", subtitle_merge_format) - #tal_sheet.merge_range("D8:L8", "TALLY", subtitle_merge_format) + tal_sheet.merge_range( + df_positions[tal][0], + df_positions[tal][1] + 1, + df_positions[tal][0], + df_positions[tal][1] + 4, + list(tallies.values())[tal]["title"], + subtitle_merge_format, + ) + # tal_sheet.merge_range("B8:C8", "ZAID", subtitle_merge_format) + # tal_sheet.merge_range("D8:L8", "TALLY", subtitle_merge_format) # Freeze title tal_sheet.freeze_panes(8, 2) @@ -226,15 +226,15 @@ def single_excel_writer(self, outpath, lib, testname, tallies, stats=None): # Row Heights tal_sheet.set_row(7, 31) - #tal_sheet.set_row(8, 73.25) - + # tal_sheet.set_row(8, 73.25) + tal_sheet.conditional_format( 10, 1, 8 + max_len, max_width + 1, {"type": "blanks", "format": oob_format}, - ) + ) # ERRORS # Title err_sheet.merge_range("B1:C2", "LIBRARY", subtitle_merge_format) @@ -243,14 +243,16 @@ def single_excel_writer(self, outpath, lib, testname, tallies, stats=None): "B3:L8", "{} RESULTS RECAP: ERRORS".format(testname), title_merge_format ) for tal in range(len(df_positions)): - err_sheet.merge_range(df_positions[tal][0], - df_positions[tal][1] + 1, - df_positions[tal][0], - df_positions[tal][1] + 4, - list(tallies.values())[tal]["title"], - subtitle_merge_format) - #err_sheet.merge_range("B8:C8", "ZAID", subtitle_merge_format) - #err_sheet.merge_range("D8:L8", "TALLY", subtitle_merge_format) + err_sheet.merge_range( + df_positions[tal][0], + df_positions[tal][1] + 1, + df_positions[tal][0], + df_positions[tal][1] + 4, + list(tallies.values())[tal]["title"], + subtitle_merge_format, + ) + # err_sheet.merge_range("B8:C8", "ZAID", subtitle_merge_format) + # err_sheet.merge_range("D8:L8", "TALLY", subtitle_merge_format) # Freeze title err_sheet.freeze_panes(8, 2) @@ -263,14 +265,13 @@ def single_excel_writer(self, outpath, lib, testname, tallies, stats=None): for i in range(8 + max_len, max_len + 50): err_sheet.set_row(i, None, oob_format) - # Column widths for errors, set up to 15th col by default to ensure title format correct err_sheet.set_column(1, 14, 20) err_sheet.set_column(1, max_width + 2, 20) # Row Heights err_sheet.set_row(7, 31) - #err_sheet.set_row(8, 73.25) + # err_sheet.set_row(8, 73.25) # Legend err_sheet.merge_range("N3:O3", "LEGEND", merge_format) @@ -392,8 +393,8 @@ def single_excel_writer(self, outpath, lib, testname, tallies, stats=None): "{} RESULTS RECAP: STATISTICAL CHECKS".format(testname), title_merge_format, ) - #stat_sheet.merge_range("B8:C8", "ZAID", subtitle_merge_format) - #stat_sheet.merge_range("D8:L8", "TALLY", subtitle_merge_format) + # stat_sheet.merge_range("B8:C8", "ZAID", subtitle_merge_format) + # stat_sheet.merge_range("D8:L8", "TALLY", subtitle_merge_format) # Freeze title stat_sheet.freeze_panes(8, 0) @@ -461,6 +462,7 @@ def single_excel_writer(self, outpath, lib, testname, tallies, stats=None): wb.close() + def comp_excel_writer(self, outpath, lib_to_comp, testname, comps, abs_diffs, std_devs): """ Produces single library summary excel file using XLSXwriter @@ -494,23 +496,32 @@ def comp_excel_writer(self, outpath, lib_to_comp, testname, comps, abs_diffs, st for i in range(len(comps.keys())): comp_len, comp_width = list(comps.values())[i]["Value"].shape - df_positions.append([startrow,startcol]) - list(comps.values())[i]["Value"].to_excel(writer, startrow=startrow+1, - startcol=startcol, - sheet_name="Comparisons (%)") - list(std_devs.values())[i]["Value"].to_excel(writer, startrow=startrow+1, - startcol=startcol, - sheet_name="Comparisons (std. dev.)") - list(abs_diffs.values())[i]["Value"].to_excel(writer, startrow=startrow+1, - startcol=startcol, - sheet_name="Comparisons (abs. diff.)") + df_positions.append([startrow, startcol]) + list(comps.values())[i]["Value"].to_excel( + writer, + startrow=startrow + 1, + startcol=startcol, + sheet_name="Comparisons (%)", + ) + list(std_devs.values())[i]["Value"].to_excel( + writer, + startrow=startrow + 1, + startcol=startcol, + sheet_name="Comparisons (std. dev.)", + ) + list(abs_diffs.values())[i]["Value"].to_excel( + writer, + startrow=startrow + 1, + startcol=startcol, + sheet_name="Comparisons (abs. diff.)", + ) startrow = startrow + comp_len + 3 max_len = max_len + comp_len + 3 if comp_width > max_width: max_width = comp_width - wb = writer.book + wb = writer.book comp_sheet = writer.sheets["Comparisons (%)"] std_dev_sheet = writer.sheets["Comparisons (std. dev.)"] absdiff_sheet = writer.sheets["Comparisons (abs. diff.)"] @@ -526,9 +537,7 @@ def comp_excel_writer(self, outpath, lib_to_comp, testname, comps, abs_diffs, st } ) tally_format = wb.add_format({"bg_color": "#D9D9D9"}) - merge_format = wb.add_format( - {"align": "center", "valign": "center", "border": 2} - ) + merge_format = wb.add_format({"align": "center", "valign": "center", "border": 2}) title_merge_format = wb.add_format( { "font_size": "36", @@ -568,14 +577,16 @@ def comp_excel_writer(self, outpath, lib_to_comp, testname, comps, abs_diffs, st "B3:L8", "{} RESULTS RECAP: COMPARISON (%)".format(testname), title_merge_format ) for tal in range(len(df_positions)): - comp_sheet.merge_range(df_positions[tal][0], - df_positions[tal][1] + 1, - df_positions[tal][0], - df_positions[tal][1] + 4, - list(comps.values())[tal]["title"], - subtitle_merge_format) - #comp_sheet.merge_range("B8:C8", "ZAID", subtitle_merge_format) - #comp_sheet.merge_range("D8:L8", "TALLY", subtitle_merge_format) + comp_sheet.merge_range( + df_positions[tal][0], + df_positions[tal][1] + 1, + df_positions[tal][0], + df_positions[tal][1] + 4, + list(comps.values())[tal]["title"], + subtitle_merge_format, + ) + # comp_sheet.merge_range("B8:C8", "ZAID", subtitle_merge_format) + # comp_sheet.merge_range("D8:L8", "TALLY", subtitle_merge_format) # Freeze title comp_sheet.freeze_panes(8, 2) @@ -594,7 +605,7 @@ def comp_excel_writer(self, outpath, lib_to_comp, testname, comps, abs_diffs, st # Row Heights comp_sheet.set_row(7, 31) - #comp_sheet.set_row(8, 73.25) + # comp_sheet.set_row(8, 73.25) # Legend comp_sheet.merge_range("N3:O3", "LEGEND", merge_format) @@ -613,7 +624,7 @@ def comp_excel_writer(self, outpath, lib_to_comp, testname, comps, abs_diffs, st 8 + max_len, max_width + 1, {"type": "blanks", "format": oob_format}, - ) + ) comp_sheet.conditional_format( 10, 2, @@ -763,17 +774,21 @@ def comp_excel_writer(self, outpath, lib_to_comp, testname, comps, abs_diffs, st absdiff_sheet.merge_range("B1:C2", "LIBRARY", subtitle_merge_format) absdiff_sheet.merge_range("D1:D2", lib_to_comp, subtitle_merge_format) absdiff_sheet.merge_range( - "B3:L8", "{} RESULTS RECAP: COMPARISON (Absolute Difference)".format(testname), title_merge_format + "B3:L8", + "{} RESULTS RECAP: COMPARISON (Absolute Difference)".format(testname), + title_merge_format, ) for tal in range(len(df_positions)): - absdiff_sheet.merge_range(df_positions[tal][0], - df_positions[tal][1] + 1, - df_positions[tal][0], - df_positions[tal][1] + 4, - list(comps.values())[tal]["title"], - subtitle_merge_format) - #absdiff_sheet.merge_range("B8:C8", "ZAID", subtitle_merge_format) - #absdiff_sheet.merge_range("D8:L8", "TALLY", subtitle_merge_format) + absdiff_sheet.merge_range( + df_positions[tal][0], + df_positions[tal][1] + 1, + df_positions[tal][0], + df_positions[tal][1] + 4, + list(comps.values())[tal]["title"], + subtitle_merge_format, + ) + # absdiff_sheet.merge_range("B8:C8", "ZAID", subtitle_merge_format) + # absdiff_sheet.merge_range("D8:L8", "TALLY", subtitle_merge_format) # Freeze title absdiff_sheet.freeze_panes(8, 2) @@ -786,14 +801,13 @@ def comp_excel_writer(self, outpath, lib_to_comp, testname, comps, abs_diffs, st for i in range(8 + max_len, max_len + 50): absdiff_sheet.set_row(i, None, oob_format) - # Column widths for errors, set up to 15th col by default to ensure title format correct absdiff_sheet.set_column(1, 14, 20) absdiff_sheet.set_column(1, max_width + 2, 20) # Row Heights absdiff_sheet.set_row(7, 31) - #absdiff_sheet.set_row(8, 73.25) + # absdiff_sheet.set_row(8, 73.25) # Legend absdiff_sheet.merge_range("N3:O3", "LEGEND", merge_format) @@ -821,17 +835,23 @@ def comp_excel_writer(self, outpath, lib_to_comp, testname, comps, abs_diffs, st std_dev_sheet.merge_range("B1:C2", "LIBRARY", subtitle_merge_format) std_dev_sheet.merge_range("D1:D2", lib_to_comp, subtitle_merge_format) std_dev_sheet.merge_range( - "B3:L8", "{} RESULTS RECAP: COMPARISON (Standard deviations from reference library)".format(testname), title_merge_format + "B3:L8", + "{} RESULTS RECAP: COMPARISON (Standard deviations from reference library)".format( + testname + ), + title_merge_format, ) for tal in range(len(df_positions)): - std_dev_sheet.merge_range(df_positions[tal][0], - df_positions[tal][1] + 1, - df_positions[tal][0], - df_positions[tal][1] + 4, - list(comps.values())[tal]["title"], - subtitle_merge_format) - #std_dev_sheet.merge_range("B8:C8", "ZAID", subtitle_merge_format) - #std_dev_sheet.merge_range("D8:L8", "TALLY", subtitle_merge_format) + std_dev_sheet.merge_range( + df_positions[tal][0], + df_positions[tal][1] + 1, + df_positions[tal][0], + df_positions[tal][1] + 4, + list(comps.values())[tal]["title"], + subtitle_merge_format, + ) + # std_dev_sheet.merge_range("B8:C8", "ZAID", subtitle_merge_format) + # std_dev_sheet.merge_range("D8:L8", "TALLY", subtitle_merge_format) # Freeze title std_dev_sheet.freeze_panes(8, 2) @@ -850,7 +870,7 @@ def comp_excel_writer(self, outpath, lib_to_comp, testname, comps, abs_diffs, st # Row Heights std_dev_sheet.set_row(7, 31) - #std_dev_sheet.set_row(8, 73.25) + # std_dev_sheet.set_row(8, 73.25) # Legend std_dev_sheet.merge_range("N3:O3", "LEGEND", merge_format) @@ -869,7 +889,7 @@ def comp_excel_writer(self, outpath, lib_to_comp, testname, comps, abs_diffs, st 8 + max_len, max_width + 1, {"type": "blanks", "format": oob_format}, - ) + ) std_dev_sheet.conditional_format( 10, 2, @@ -1013,6 +1033,6 @@ def comp_excel_writer(self, outpath, lib_to_comp, testname, comps, abs_diffs, st "maximum": 1, "format": green_cell_format, }, - ) + ) - wb.close() \ No newline at end of file + wb.close() diff --git a/jade/exceptions.py b/jade/exceptions.py index ffe8e4de..92c9ea3b 100644 --- a/jade/exceptions.py +++ b/jade/exceptions.py @@ -1,9 +1,10 @@ import sys # colors -CRED = '\033[91m' -CORANGE = '\033[93m' -CEND = '\033[0m' +CRED = "\033[91m" +CORANGE = "\033[93m" +CEND = "\033[0m" + def fatal_exception(message=None): """ @@ -20,8 +21,8 @@ def fatal_exception(message=None): """ if message is None: - message = 'A Fatal exception have occured' + message = "A Fatal exception have occured" - message = message+', the application will now exit' - print(CRED+' FATAL EXCEPTION: \n'+message+CEND) - sys.exit() \ No newline at end of file + message = message + ", the application will now exit" + print(CRED + " FATAL EXCEPTION: \n" + message + CEND) + sys.exit() diff --git a/jade/expoutput.py b/jade/expoutput.py index 40bc2d3c..5a1708cb 100644 --- a/jade/expoutput.py +++ b/jade/expoutput.py @@ -20,32 +20,33 @@ # You should have received a copy of the GNU General Public License # along with JADE. If not, see . -import pandas as pd -import numpy as np +import math import os -import jade.atlas as at +import re import shutil -import math +from abc import abstractmethod -from jade.output import BenchmarkOutput -from jade.output import MCNPoutput -from tqdm import tqdm -from jade.status import EXP_TAG -from jade.plotter import Plotter +import numpy as np +import pandas as pd from scipy.interpolate import interp1d -from abc import abstractmethod +from tqdm import tqdm + +import jade.atlas as at from jade.inputfile import D1S_Input -import re +from jade.output import BenchmarkOutput, MCNPoutput +from jade.plotter import Plotter +from jade.status import EXP_TAG -MCNP_UNITS = {'Energy': 'MeV', - 'Time': 'shakes'} +MCNP_UNITS = {"Energy": "MeV", "Time": "shakes"} -TALLY_NORMALIZATION = {'Tiara-BC': 'lethargy', - 'FNS-TOF': 'lethargy', - 'Oktavian': 'lethargy', - 'TUD-Fe': 'energy bins', - 'TUD-W': 'energy bins', - 'TUD-FNG': 'energy bins'} +TALLY_NORMALIZATION = { + "Tiara-BC": "lethargy", + "FNS-TOF": "lethargy", + "Oktavian": "lethargy", + "TUD-Fe": "energy bins", + "TUD-W": "energy bins", + "TUD-FNG": "energy bins", +} class ExperimentalOutput(BenchmarkOutput): @@ -69,7 +70,7 @@ def __init__(self, *args, **kwargs): """ # Add a special keyword for experimental benchmarks try: - multiplerun = kwargs.pop('multiplerun') + multiplerun = kwargs.pop("multiplerun") except KeyError: # Default to False multiplerun = False @@ -90,7 +91,7 @@ def __init__(self, *args, **kwargs): elif self.openmc: out = os.path.dirname(self.atlas_path_openmc) - raw_path = os.path.join(out, 'Raw_Data') + raw_path = os.path.join(out, "Raw_Data") if not os.path.exists(raw_path): os.mkdir(raw_path) self.raw_path = raw_path @@ -108,7 +109,7 @@ def single_postprocess(self): ------- None. """ - raise AttributeError('\n No single pp is foreseen for exp benchmark') + raise AttributeError("\n No single pp is foreseen for exp benchmark") def compare(self): """ @@ -118,19 +119,19 @@ def compare(self): ------- None. """ - print(' Exctracting outputs...') + print(" Exctracting outputs...") self._extract_outputs() - print(' Read experimental results....') + print(" Read experimental results....") self._read_exp_results() - print(' Dumping raw data...') + print(" Dumping raw data...") self._print_raw() - print(' Generating Excel Recap...') + print(" Generating Excel Recap...") self.pp_excel_comparison() - print(' Creating Atlas...') + print(" Creating Atlas...") self.build_atlas() def pp_excel_comparison(self): @@ -156,31 +157,32 @@ def build_atlas(self): """ # Build a temporary folder for images if self.mcnp: - tmp_path = os.path.join(self.atlas_path_mcnp, 'tmp') + tmp_path = os.path.join(self.atlas_path_mcnp, "tmp") elif self.d1s: - tmp_path = os.path.join(self.atlas_path_d1s, 'tmp') + tmp_path = os.path.join(self.atlas_path_d1s, "tmp") elif self.openmc: - tmp_path = os.path.join(self.atlas_path_openmc, 'tmp') + tmp_path = os.path.join(self.atlas_path_openmc, "tmp") elif self.serpent: - tmp_path = os.path.join(self.atlas_path_serpent, 'tmp') + tmp_path = os.path.join(self.atlas_path_serpent, "tmp") os.mkdir(tmp_path) - globalname = '' + globalname = "" for lib in self.lib: - globalname = globalname + lib + '_Vs_' + globalname = globalname + lib + "_Vs_" globalname = globalname[:-4] - globalname = self.testname + '_' + globalname + globalname = self.testname + "_" + globalname # Initialize the atlas - template = os.path.join(self.code_path, 'Code', 'jade', 'templates', - 'AtlasTemplate.docx') + template = os.path.join( + self.code_path, "Code", "jade", "templates", "AtlasTemplate.docx" + ) atlas = at.Atlas(template, globalname) # Fill the atlas atlas = self._build_atlas(tmp_path, atlas) # Save Atlas - print(' Producing the PDF...') + print(" Producing the PDF...") if self.mcnp: atlas.save(self.atlas_path_mcnp) elif self.d1s: @@ -207,9 +209,8 @@ def _extract_outputs(self): for folder in os.listdir(test_path): # FIX MCNP HARD CODED PATH HERE if self.mcnp: - results_path = os.path.join(test_path, - folder, "mcnp") - pieces = folder.split('_') + results_path = os.path.join(test_path, folder, "mcnp") + pieces = folder.split("_") # Get zaid input = pieces[-1] mfile, ofile = self._get_output_files(results_path) @@ -224,17 +225,20 @@ def _extract_outputs(self): if input not in inputs: inputs.append(input) if self.openmc: - print("Experimental comparison not implemented \ - for OpenMC") + print( + "Experimental comparison not implemented \ + for OpenMC" + ) break if self.serpent: - print("Experimental comparison not implemented \ - for Serpent") + print( + "Experimental comparison not implemented \ + for Serpent" + ) break if self.d1s: - results_path = os.path.join(test_path, - folder, "d1s") - pieces = folder.split('_') + results_path = os.path.join(test_path, folder, "d1s") + pieces = folder.split("_") # Get zaid input = pieces[-1] mfile, ofile = self._get_output_files(results_path) @@ -247,7 +251,7 @@ def _extract_outputs(self): # Get the meaningful results results[input, lib] = self._processMCNPdata(output) if input not in inputs: - inputs.append(input) + inputs.append(input) if self.mcnp: self.raw_data["mcnp"] = code_raw_data if self.d1s: @@ -292,7 +296,7 @@ def _read_exp_results(self): exp_results[folder] = {} cp = os.path.join(self.path_exp_res, folder) for file in os.listdir(cp): - filename = file.split('.')[0] + filename = file.split(".")[0] filepath = os.path.join(cp, file) df = self._read_exp_file(filepath) c = df.columns.tolist()[1] @@ -303,7 +307,7 @@ def _read_exp_results(self): # build the result dic exp_results[self.testname] = {} for file in os.listdir(self.path_exp_res): - filename = file.split('.')[0] + filename = file.split(".")[0] filepath = os.path.join(self.path_exp_res, file) df = self._read_exp_file(filepath) c = df.columns.tolist()[1] @@ -335,13 +339,13 @@ def _print_raw(self): None. """ if self.mcnp: - raw_to_print = self.raw_data['mcnp'].items() + raw_to_print = self.raw_data["mcnp"].items() if self.openmc: pass if self.serpent: pass if self.d1s: - raw_to_print = self.raw_data['d1s'].items() + raw_to_print = self.raw_data["d1s"].items() for (folder, lib), item in raw_to_print: # Create the lib directory if it is not there @@ -351,10 +355,9 @@ def _print_raw(self): # Dump everything for key, data in item.items(): if folder == self.testname: - file = os.path.join(cd_lib, str(key) + '.csv') + file = os.path.join(cd_lib, str(key) + ".csv") else: - file = os.path.join(cd_lib, - folder + ' ' + str(key) + '.csv') + file = os.path.join(cd_lib, folder + " " + str(key) + ".csv") data.to_csv(file, header=True, index=False) @abstractmethod @@ -378,11 +381,11 @@ def _processMCNPdata(self, output): @abstractmethod def _pp_excel_comparison(self): - ''' + """ Responsible for producing excel outputs Returns ------- - ''' + """ pass @abstractmethod @@ -406,12 +409,31 @@ def _build_atlas(self, tmp_path, atlas): class FNGOutput(ExperimentalOutput): - names = ['FNG1', 'FNG2'] - times = {'FNG1': ['1d', '7d', '15d', '30d', '60d'], - 'FNG2': ['1.22h', '1.72h', '2.08h', '3.22h', '4.80h', '6.80h', - '9.47h', '12.7h', '15.9h', '20.2h', '25.2h', '1.53d', - '2.46d', '4d', '5.55d', '8.20d', '12.2d', '19.3d', - '19.8d']} + names = ["FNG1", "FNG2"] + times = { + "FNG1": ["1d", "7d", "15d", "30d", "60d"], + "FNG2": [ + "1.22h", + "1.72h", + "2.08h", + "3.22h", + "4.80h", + "6.80h", + "9.47h", + "12.7h", + "15.9h", + "20.2h", + "25.2h", + "1.53d", + "2.46d", + "4d", + "5.55d", + "8.20d", + "12.2d", + "19.3d", + "19.8d", + ], + } def _processMCNPdata(self, output): """ @@ -447,27 +469,25 @@ def _processMCNPdata(self, output): # Build and store the taly df df = pd.DataFrame(tallyres) - df.columns = ['time', 'sddr', 'err'] + df.columns = ["time", "sddr", "err"] res[str(tnum)] = df # -- Parent tracker -- if tnum in [14, 24]: for i in range(tally.nTim): for j in range(tally.nUsr): - val = tally.getValue(0, 0, j, 0, 0, 0, - 0, i, 0, 0, 0, 0) - err = tally.getValue(0, 0, j, 0, 0, 0, - 0, i, 0, 0, 0, 1) + val = tally.getValue(0, 0, j, 0, 0, 0, 0, i, 0, 0, 0, 0) + err = tally.getValue(0, 0, j, 0, 0, 0, 0, i, 0, 0, 0, 1) # Store time_res = [i + 1, j, val, err] tallyres.append(time_res) # Build and store the taly df df = pd.DataFrame(tallyres) - df.columns = ['time', 'tracked', 'sddr', 'err'] + df.columns = ["time", "tracked", "sddr", "err"] # The first row is the complementary bin (0) and last row # is the total. They can be dropped - df = df.set_index('tracked').drop([0, j]).reset_index() + df = df.set_index("tracked").drop([0, j]).reset_index() res[str(tnum)] = df # --- Override the raw data --- @@ -481,36 +501,37 @@ def _processMCNPdata(self, output): return res def _pp_excel_comparison(self): - ''' + """ Responsible for producing excel outputs - ''' + """ # Dump the global C/E table - print(' Dump the C/E table in Excel...') - ex_outpath = os.path.join(self.excel_path_d1s, self.testname + '_CE_tables.xlsx') + print(" Dump the C/E table in Excel...") + ex_outpath = os.path.join( + self.excel_path_d1s, self.testname + "_CE_tables.xlsx" + ) # Create a Pandas Excel writer using XlsxWriter as the engine. - with pd.ExcelWriter(ex_outpath, engine='xlsxwriter') as writer: + with pd.ExcelWriter(ex_outpath, engine="xlsxwriter") as writer: # --- build and dump the C/E table --- for folder in self.names: # collect all available data alldata = self._get_collected_data(folder) - exp_err = alldata['Relative Error'] - exp_sddr = alldata['Experimental SDDR [Sv/h]'] + exp_err = alldata["Relative Error"] + exp_sddr = alldata["Experimental SDDR [Sv/h]"] # build the C\E df df = pd.DataFrame(index=alldata.index) for lib in self.lib[1:]: libname = self.session.conf.get_lib_name(lib) # get computational data - com_err = alldata[lib + 'err'] - com_sddr = alldata[lib + 'sddr'] + com_err = alldata[lib + "err"] + com_sddr = alldata[lib + "sddr"] # compute global error (SRSS) - gl_err = ((com_err**2 + exp_err**2) ** - (1 / 2)).round(2).astype(str) + gl_err = ((com_err**2 + exp_err**2) ** (1 / 2)).round(2).astype(str) # compute C/E gl_val = (com_sddr / exp_sddr).round(2).astype(str) - df[libname] = gl_val + ' +/- ' + gl_err + df[libname] = gl_val + " +/- " + gl_err # Dump the df df.to_excel(writer, sheet_name=folder, startrow=2) @@ -533,17 +554,17 @@ def _get_collected_data(self, folder): df : pd.DataFrame collective data on the campaing. """ - idx = ['Cooldown Time [s]', 'Cooldown Time [d]'] + idx = ["Cooldown Time [s]", "Cooldown Time [d]"] # Initialize the table with the experimental results - df = self.exp_results[folder]['SDDR'].copy() + df = self.exp_results[folder]["SDDR"].copy() df = df.set_index(idx).sort_index() # Avoid exp tag for lib in self.lib[1:]: - libdf = self.results[folder, lib]['4'].set_index('time').sort_index() + libdf = self.results[folder, lib]["4"].set_index("time").sort_index() # add the SDDR and relative column of each library - df[lib + 'sddr'] = libdf['sddr'].values - df[lib + 'err'] = libdf['err'].values + df[lib + "sddr"] = libdf["sddr"].values + df[lib + "err"] = libdf["err"].values return df @@ -562,39 +583,40 @@ def _build_atlas(self, tmp_path, atlas): atlas : Atlas After being filled the atlas is returned. """ - patzaid = re.compile(r'(?<=[\s\-\t])\d+(?=[\s\t\n])') + patzaid = re.compile(r"(?<=[\s\-\t])\d+(?=[\s\t\n])") - atlas.doc.add_heading('Shut Down Dose Rate', level=1) - xlabel = 'Cooldown time' + atlas.doc.add_heading("Shut Down Dose Rate", level=1) + xlabel = "Cooldown time" # Only two plots, one for each irradiation campaign - for folder, title in zip(self.names, ['1st FNG Irradiation campaign', - '2nd FNG Irradiation campaign']): + for folder, title in zip( + self.names, ["1st FNG Irradiation campaign", "2nd FNG Irradiation campaign"] + ): atlas.doc.add_heading(title, level=2) # --- SDDR PLOT --- # -- Recover data to plot -- data = [] x = self.times[folder] for lib in self.lib: - if lib == 'Exp': - df = self.exp_results[folder]['SDDR'] - y = df['Experimental SDDR [Sv/h]'].values - err = (df['Relative Error'] * y).values - ylabel = 'Experiment' + if lib == "Exp": + df = self.exp_results[folder]["SDDR"] + y = df["Experimental SDDR [Sv/h]"].values + err = (df["Relative Error"] * y).values + ylabel = "Experiment" else: - df = self.results[folder, - lib]['4'].set_index('time').sort_index() + df = self.results[folder, lib]["4"].set_index("time").sort_index() y = df.sddr.values err = df.err.values * y ylabel = self.session.conf.get_lib_name(lib) - data.append({'x': x, 'y': y, 'err': err, 'ylabel': ylabel}) + data.append({"x": x, "y": y, "err": err, "ylabel": ylabel}) # -- Plot -- - outname = 'tmp' - quantity = 'SDDR' - unit = 'Sv/h' - plot = Plotter(data, title, tmp_path, outname, quantity, unit, - xlabel, self.testname) - img_path = plot.plot('Discreet Experimental points') + outname = "tmp" + quantity = "SDDR" + unit = "Sv/h" + plot = Plotter( + data, title, tmp_path, outname, quantity, unit, xlabel, self.testname + ) + img_path = plot.plot("Discreet Experimental points") # Insert the image in the atlas atlas.insert_img(img_path) @@ -605,26 +627,27 @@ def _build_atlas(self, tmp_path, atlas): for lib in self.lib[1:]: file = os.path.join(self.test_path[lib], folder, "d1s", folder) inp = D1S_Input.from_text(file) - for tallynum in ['24', '14']: - card = inp.get_card_byID('settings', 'FU' + tallynum) + for tallynum in ["24", "14"]: + card = inp.get_card_byID("settings", "FU" + tallynum) strings = [] for line in card.lines: zaids = patzaid.findall(line) for zaid in zaids: - if zaid != '0': - _, formula = self.session.lib_manager.get_zaidname( - zaid) + if zaid != "0": + _, formula = self.session.lib_manager.get_zaidname(zaid) strings.append(formula) zaid_tracked[tallynum] = strings x = self.times[folder] - titles = {'parent': title + ', parent isotopes contribution ', - 'daughter': title + ', daughter isotopes contribution '} - tallynums = {'parent': '24', 'daughter': '14'} - - for tracked in ['parent', 'daughter']: - atlas.doc.add_heading(tracked + ' tracking', level=3) + titles = { + "parent": title + ", parent isotopes contribution ", + "daughter": title + ", daughter isotopes contribution ", + } + tallynums = {"parent": "24", "daughter": "14"} + + for tracked in ["parent", "daughter"]: + atlas.doc.add_heading(tracked + " tracking", level=3) for lib in self.lib[1:]: libname = self.session.conf.get_lib_name(lib) @@ -632,26 +655,33 @@ def _build_atlas(self, tmp_path, atlas): tallynum = tallynums[tracked] df = self.results[folder, lib][tallynum] zaidstracked = set(df.tracked.values) - tot_dose = df.groupby('time').sum().sddr.values - df.set_index('tracked', inplace=True) + tot_dose = df.groupby("time").sum().sddr.values + df.set_index("tracked", inplace=True) data = [] for i, zaid in enumerate(zaidstracked): subset = df.loc[zaid] assert len(subset.time.values) == len(x) formula = zaid_tracked[tallynum][i] y = subset.sddr.values / tot_dose * 100 - libdata = {'x': x, 'y': y, 'err': [], - 'ylabel': formula} + libdata = {"x": x, "y": y, "err": [], "ylabel": formula} data.append(libdata) - outname = 'tmp' + outname = "tmp" newtitle = titles[tracked] + libname - quantity = 'SDDR contribution' - unit = '%' - xlabel = 'Cooldown time' - - plot = Plotter(data, newtitle, tmp_path, outname, - quantity, unit, xlabel, self.testname) + quantity = "SDDR contribution" + unit = "%" + xlabel = "Cooldown time" + + plot = Plotter( + data, + newtitle, + tmp_path, + outname, + quantity, + unit, + xlabel, + self.testname, + ) img_path = plot._contribution(legend_outside=True) # Insert the image in the atlas @@ -660,11 +690,11 @@ def _build_atlas(self, tmp_path, atlas): return atlas def _read_exp_file(self, filepath): - ''' + """ Override parent method since the separator for these experimental files is ";" - ''' - return pd.read_csv(filepath, sep=';') + """ + return pd.read_csv(filepath, sep=";") class SpectrumOutput(ExperimentalOutput): @@ -676,36 +706,44 @@ def _build_atlas(self, tmp_path, atlas): """ self.tables = [] self.bench_conf = pd.read_excel(self.cnf_path) - self.bench_conf = self.bench_conf.set_index(['Tally']) + self.bench_conf = self.bench_conf.set_index(["Tally"]) # Loop over benchmark cases - for input in tqdm(self.inputs, desc=' Inputs: '): + for input in tqdm(self.inputs, desc=" Inputs: "): # Loop over tallies for tally in self.outputs[(input, self.lib[1])].mctal.tallies: # Get tally number and info tallynum, particle, xlabel = self._get_tally_info(tally) # Collect data - quantity_CE = self.bench_conf.loc[tallynum, 'Y Label'] - e_int = self.bench_conf.loc[tallynum, - 'C/E X Quantity intervals'] - e_int = e_int.split('-') + quantity_CE = self.bench_conf.loc[tallynum, "Y Label"] + e_int = self.bench_conf.loc[tallynum, "C/E X Quantity intervals"] + e_int = e_int.split("-") # Convert the list of number strings into a list of integers e_intervals = [float(num) for num in e_int] - data, xlabel = self._data_collect(input, str(tallynum), - quantity_CE, e_intervals) + data, xlabel = self._data_collect( + input, str(tallynum), quantity_CE, e_intervals + ) if not data: continue # Use re.findall to extract all substrings between '[' and ']' - unit = self.bench_conf.loc[tallynum, 'Y Unit'] - quantity = self.bench_conf.loc[tallynum, 'Quantity'] + unit = self.bench_conf.loc[tallynum, "Y Unit"] + quantity = self.bench_conf.loc[tallynum, "Quantity"] title = self._define_title(input, quantity_CE) atlas.doc.add_heading(title, level=1) # Once the data is collected it is passed to the plotter - outname = 'tmp' - plot = Plotter(data, title, tmp_path, outname, quantity, unit, - xlabel, self.testname) - img_path = plot.plot('Experimental points') + outname = "tmp" + plot = Plotter( + data, + title, + tmp_path, + outname, + quantity, + unit, + xlabel, + self.testname, + ) + img_path = plot.plot("Experimental points") # Insert the image in the atlas atlas.insert_img(img_path) @@ -716,38 +754,36 @@ def _build_atlas(self, tmp_path, atlas): def _get_tally_info(self, tally): tallynum = tally.tallyNumber - particle = tally.particleList[np.where(tally.tallyParticles == 1)[0 - ][0]] - quant = self.bench_conf.loc[tallynum, 'X Quantity'] - unit = self.bench_conf.loc[tallynum, 'X Unit'] - return tallynum, particle, quant + ' [' + unit + ']' + particle = tally.particleList[np.where(tally.tallyParticles == 1)[0][0]] + quant = self.bench_conf.loc[tallynum, "X Quantity"] + unit = self.bench_conf.loc[tallynum, "X Unit"] + return tallynum, particle, quant + " [" + unit + "]" def _define_title(self, input, quantity_CE): if not self.multiplerun: - title = self.testname + ', ' + quantity_CE + title = self.testname + ", " + quantity_CE else: - title = self.testname + ' ' + input + ', ' + quantity_CE + title = self.testname + " " + input + ", " + quantity_CE return title def _dump_ce_table(self): - print(' Dump the C/E table in Excel...') + print(" Dump the C/E table in Excel...") final_table = pd.concat(self.tables) skipcol_global = 0 - binning_list = ['Energy', 'Time'] - for x_ax in binning_list: # to update if other binning will be used + binning_list = ["Energy", "Time"] + for x_ax in binning_list: # to update if other binning will be used x_lab = x_ax[0] - col_check = 'Max ' + x_lab - ft = final_table.set_index(['Input']) + col_check = "Max " + x_lab + ft = final_table.set_index(["Input"]) if col_check not in final_table.columns.tolist(): continue else: - todump = final_table.set_index(['Input', 'Quantity', - 'Library']) + todump = final_table.set_index(["Input", "Quantity", "Library"]) for binning in binning_list: if binning == x_ax: continue @@ -755,38 +791,51 @@ def _dump_ce_table(self): # if tallies only have one type of binning KeyError could # arise try: - todump = todump.drop(columns=['Min ' + binning[0], - 'Max ' + binning[0]]) - ft = ft.drop(columns=['Min ' + binning[0], - 'Max ' + binning[0]]) + todump = todump.drop( + columns=["Min " + binning[0], "Max " + binning[0]] + ) + ft = ft.drop(columns=["Min " + binning[0], "Max " + binning[0]]) except KeyError: continue - todump = todump.dropna(subset=['Max ' + x_lab]) - ft = ft.dropna(subset=['Max ' + x_lab]) - ex_outpath = os.path.join(self.excel_path_mcnp, - self.testname + '_' + x_ax + '_CE_tables.xlsx') + todump = todump.dropna(subset=["Max " + x_lab]) + ft = ft.dropna(subset=["Max " + x_lab]) + ex_outpath = os.path.join( + self.excel_path_mcnp, self.testname + "_" + x_ax + "_CE_tables.xlsx" + ) # Create a Pandas Excel writer using XlsxWriter as the engine. - writer = pd.ExcelWriter(ex_outpath, engine='xlsxwriter') + writer = pd.ExcelWriter(ex_outpath, engine="xlsxwriter") # dump global table - todump = todump[['Min ' + x_lab, 'Max ' + x_lab, 'C/E', - 'Standard Deviation (σ)', ]] - - todump.to_excel(writer, sheet_name='Global') - col_min = x_lab + '-min ' + '[' + MCNP_UNITS[x_ax] + ']' - col_max = x_lab + '-max ' + '[' + MCNP_UNITS[x_ax] + ']' + todump = todump[ + [ + "Min " + x_lab, + "Max " + x_lab, + "C/E", + "Standard Deviation (σ)", + ] + ] + + todump.to_excel(writer, sheet_name="Global") + col_min = x_lab + "-min " + "[" + MCNP_UNITS[x_ax] + "]" + col_max = x_lab + "-max " + "[" + MCNP_UNITS[x_ax] + "]" # Elaborate table for better output format - ft[col_min] = ft['Min ' + x_lab] - ft[col_max] = ft['Max ' + x_lab] + ft[col_min] = ft["Min " + x_lab] + ft[col_max] = ft["Max " + x_lab] - ft['C/E (mean +/- σ)'] = (ft['C/E'].round(2).astype(str) + ' +/- ' + - ft['Standard Deviation (σ)' - ].round(2).astype(str)) + ft["C/E (mean +/- σ)"] = ( + ft["C/E"].round(2).astype(str) + + " +/- " + + ft["Standard Deviation (σ)"].round(2).astype(str) + ) # Delete all confusing columns - for column in ['Min ' + x_lab, 'Max ' + x_lab, 'C/E', - 'Standard Deviation (σ)', ]: + for column in [ + "Min " + x_lab, + "Max " + x_lab, + "C/E", + "Standard Deviation (σ)", + ]: del ft[column] # Dump also table material by material @@ -794,9 +843,11 @@ def _dump_ce_table(self): # dump material table todump = ft.loc[input] - todump = todump.pivot(index=['Quantity', col_min, col_max], - columns='Library', - values='C/E (mean +/- σ)') + todump = todump.pivot( + index=["Quantity", col_min, col_max], + columns="Library", + values="C/E (mean +/- σ)", + ) todump.sort_values(by=[col_min]) @@ -808,16 +859,16 @@ def _dump_ce_table(self): # adjust columns' width writer.sheets[input].set_column(0, 4, 18) - # Close the Pandas Excel writer and output the Excel file. + # Close the Pandas Excel writer and output the Excel file. writer.close() return def _data_collect(self, input, tallynum, quantity_CE, e_intervals): if self.multiplerun: - filename = self.testname + '_' + input + '_' + str(tallynum) + filename = self.testname + "_" + input + "_" + str(tallynum) else: - filename = self.testname + '_' + str(tallynum) + filename = self.testname + "_" + str(tallynum) # check if correspondent experimental data exists try: col_idx = self.exp_results[input][filename].columns.tolist() @@ -830,8 +881,7 @@ def _data_collect(self, input, tallynum, quantity_CE, e_intervals): y = self.exp_results[input][filename][col_idx[1]].values err = self.exp_results[input][filename][col_idx[2]].values # lib will be passed to the plotter - lib = {'x': x, 'y': y, 'err': err, - 'ylabel': 'Experiment'} + lib = {"x": x, "y": y, "err": err, "ylabel": "Experiment"} # Get also the interpolator interpolator = interp1d(x, y, fill_value=0, bounds_error=False) # Collect the data to be plotted @@ -841,15 +891,20 @@ def _data_collect(self, input, tallynum, quantity_CE, e_intervals): try: # The tally may not be defined # Data for the plotter values = self.results[input, lib_tag][tallynum] - lib = {'x': values[x_lab], 'y': values['C'], - 'err': values['Error'], 'ylabel': lib_name} + lib = { + "x": values[x_lab], + "y": values["C"], + "err": values["Error"], + "ylabel": lib_name, + } data.append(lib) # data for the table - table = _get_tablevalues(values, interpolator, x=x_lab, - e_intervals=e_intervals) - table['Quantity'] = quantity_CE - table['Input'] = input - table['Library'] = lib_name + table = _get_tablevalues( + values, interpolator, x=x_lab, e_intervals=e_intervals + ) + table["Quantity"] = quantity_CE + table["Input"] = input + table["Library"] = lib_name self.tables.append(table) except KeyError: # The tally is not defined @@ -884,13 +939,12 @@ def _processMCNPdata(self, output): x_axis = data.columns.tolist()[0] # Delete the total value - data = data.set_index(x_axis).drop('total').reset_index() - flux, energies, errors = self._parse_data_df(data, output, x_axis, - tallynum) + data = data.set_index(x_axis).drop("total").reset_index() + flux, energies, errors = self._parse_data_df(data, output, x_axis, tallynum) - res2[x_axis + ' [' + MCNP_UNITS[x_axis] + ']'] = energies - res2['C'] = flux - res2['Error'] = errors + res2[x_axis + " [" + MCNP_UNITS[x_axis] + "]"] = energies + res2["C"] = flux + res2["Error"] = errors res[tallynum] = res2 @@ -898,11 +952,11 @@ def _processMCNPdata(self, output): def _parse_data_df(self, data, output, x_axis, tallynum): # Generate a folder for each library - flux = data['Value'].values + flux = data["Value"].values energies = data[x_axis].values - errors = data['Error'].values + errors = data["Error"].values - if TALLY_NORMALIZATION[self.testname] == 'lethargy': + if TALLY_NORMALIZATION[self.testname] == "lethargy": # Energies for lethargy computation ergs = [1e-10] # Additional "zero" energy for lethargy computation ergs.extend(energies.tolist()) @@ -911,28 +965,30 @@ def _parse_data_df(self, data, output, x_axis, tallynum): # Different behaviour for photons and neutrons for tally in output.mctal.tallies: if tallynum == str(tally.tallyNumber): - particle = tally.particleList[np.where( - tally.tallyParticles == 1)[0][0]] - if particle == 'Neutron': + particle = tally.particleList[ + np.where(tally.tallyParticles == 1)[0][0] + ] + if particle == "Neutron": flux = flux / np.log((ergs[1:] / ergs[:-1])) - elif particle == 'Photon': + elif particle == "Photon": flux = flux / (ergs[1:] - ergs[:-1]) - elif TALLY_NORMALIZATION[self.testname] == 'energy bins': + elif TALLY_NORMALIZATION[self.testname] == "energy bins": # Energies for lethargy computation - data['bin'] = None + data["bin"] = None prev_e = 0 for e in data[x_axis].unique().tolist(): - data.loc[data[x_axis] == e, 'bin'] = e - prev_e + data.loc[data[x_axis] == e, "bin"] = e - prev_e prev_e = e - flux = flux / data['bin'].values + flux = flux / data["bin"].values return flux, energies, errors -def _get_tablevalues(df, interpolator, x='Energy [MeV]', y='C', - e_intervals=[0.1, 1, 5, 10, 20]): +def _get_tablevalues( + df, interpolator, x="Energy [MeV]", y="C", e_intervals=[0.1, 1, 5, 10, 20] +): """ Given the benchmark and experimental results returns a df to compile the C/E table for energy intervals @@ -958,21 +1014,25 @@ def _get_tablevalues(df, interpolator, x='Energy [MeV]', y='C', """ rows = [] df = pd.DataFrame(df) - df['Exp'] = interpolator(df[x]) - df['C/E'] = df[y] / df['Exp'] + df["Exp"] = interpolator(df[x]) + df["C/E"] = df[y] / df["Exp"] # it is better here to drop inf values because it means that the # interpolated experiment was zero, i.e., no value available df.replace([np.inf, -np.inf], np.nan, inplace=True) # replace inf with NaN - df.dropna(subset=['C/E'], how='all', inplace=True) # drop the inf rows + df.dropna(subset=["C/E"], how="all", inplace=True) # drop the inf rows e_min = e_intervals[0] for e_max in e_intervals[1:]: red = df[e_min < df[x]] red = red[red[x] < e_max] - mean = red['C/E'].mean() - std = red['C/E'].std() - row = {'C/E': mean, 'Standard Deviation (σ)': std, - 'Max ' + x[0]: e_max, 'Min ' + x[0]: e_min} + mean = red["C/E"].mean() + std = red["C/E"].std() + row = { + "C/E": mean, + "Standard Deviation (σ)": std, + "Max " + x[0]: e_max, + "Min " + x[0]: e_min, + } rows.append(row) # adjourn min energy e_min = e_max @@ -1005,26 +1065,23 @@ def _case_tree_df_build(self): case_tree = pd.DataFrame() for cont, case in enumerate(self.inputs): # Get data from benchmark's cases' names - mat_name_list = case.split('-') - if mat_name_list[0] == 'cc': - case_tree.loc[cont, 'Shield Material'] = 'Concrete' - elif mat_name_list[0] == 'fe': - case_tree.loc[cont, 'Shield Material'] = 'Iron' - case_tree.loc[cont, 'Energy'] = int(mat_name_list[1]) - case_tree.loc[cont, 'Shield Thickness'] = int(mat_name_list[2]) - case_tree.loc[cont, - 'Library'] = self.session.conf.get_lib_name(lib) + mat_name_list = case.split("-") + if mat_name_list[0] == "cc": + case_tree.loc[cont, "Shield Material"] = "Concrete" + elif mat_name_list[0] == "fe": + case_tree.loc[cont, "Shield Material"] = "Iron" + case_tree.loc[cont, "Energy"] = int(mat_name_list[1]) + case_tree.loc[cont, "Shield Thickness"] = int(mat_name_list[2]) + case_tree.loc[cont, "Library"] = self.session.conf.get_lib_name(lib) # Put tally values in dataframe for tally in self.outputs[(case, lib)].mctal.tallies: temp = (self.raw_data["mcnp"])[(case, lib)] - val = temp[tally.tallyNumber].iloc[-1]['Value'] - err = temp[tally.tallyNumber].iloc[-1]['Error'] + val = temp[tally.tallyNumber].iloc[-1]["Value"] + err = temp[tally.tallyNumber].iloc[-1]["Error"] case_tree.loc[cont, tally.tallyComment] = val - case_tree.loc[cont, - str(tally.tallyComment[0]) + ' Error'] = err + case_tree.loc[cont, str(tally.tallyComment[0]) + " Error"] = err # Sort data in dataframe and assign to variable - indexes = ['Library', 'Shield Material', 'Energy', - 'Shield Thickness'] + indexes = ["Library", "Shield Material", "Energy", "Shield Thickness"] case_tree.sort_values(indexes, inplace=True) case_tree = case_tree.set_index(indexes) case_tree.index.names = indexes @@ -1049,21 +1106,20 @@ def _exp_comp_case_check(self, indexes): # Delete experimental data com_index = self.case_tree_df.index.intersection(self.exp_data.index) self.exp_data = self.exp_data[self.exp_data.index.isin(com_index)] - self.case_tree_df = self.case_tree_df[self.case_tree_df.index.isin( - com_index)] + self.case_tree_df = self.case_tree_df[self.case_tree_df.index.isin(com_index)] self.case_tree_df = self.case_tree_df.reset_index() self.case_tree_df = self.case_tree_df.set_index(indexes) return def _get_conv_df(self, df): conv_df = pd.DataFrame() - for library in df.index.unique(level='Library').tolist(): + for library in df.index.unique(level="Library").tolist(): lib_df = df.loc[library] lib_err_df = lib_df.iloc[:, 1::2] max = lib_err_df.max().max() avg = lib_err_df.mean().mean() - conv_df.loc['Max Error', library] = max - conv_df.loc['Average Error', library] = avg + conv_df.loc["Max Error", library] = max + conv_df.loc["Average Error", library] = avg return conv_df @@ -1074,8 +1130,8 @@ def _pp_excel_comparison(self): # Get computational data structure for each library self.case_tree_df = self._case_tree_df_build() - off_dict = {0: 'On-axis', 20: '20 cm off-axis'} - columns = ['U238', 'U238 Error', 'Th232', 'Th232 Error'] + off_dict = {0: "On-axis", 20: "20 cm off-axis"} + columns = ["U238", "U238 Error", "Th232", "Th232 Error"] new_idx_list = [] # build computational dataframe with the same index structure as exp # dataframe @@ -1083,8 +1139,13 @@ def _pp_excel_comparison(self): for offset in [0, 20]: new_idx = idx + (offset,) new_idx_list.append(new_idx) - indexes = ['Library', 'Shield Material', 'Energy', 'Shield Thickness', - 'Axis offset'] + indexes = [ + "Library", + "Shield Material", + "Energy", + "Shield Thickness", + "Axis offset", + ] multi_index = pd.MultiIndex.from_tuples(new_idx_list, names=indexes) case_tree_df_2 = pd.DataFrame(index=multi_index, columns=columns) # Sort to avoid later warnings @@ -1093,92 +1154,88 @@ def _pp_excel_comparison(self): # Put values into new dataframe for idx in self.case_tree_df.index.values.tolist(): for offset in [0, 20]: - for err_string in ['', ' Error']: - val_str = off_dict[offset] + ' 238U FC' + err_string + for err_string in ["", " Error"]: + val_str = off_dict[offset] + " 238U FC" + err_string val = self.case_tree_df.loc[idx, val_str] - case_tree_df_2.loc[idx + (offset,), - 'U238' + err_string] = val - val_str = off_dict[offset] + ' 232Th FC' + err_string + case_tree_df_2.loc[idx + (offset,), "U238" + err_string] = val + val_str = off_dict[offset] + " 232Th FC" + err_string val = self.case_tree_df.loc[idx, val_str] - case_tree_df_2.loc[idx + (offset,), - 'Th232' + err_string] = val + case_tree_df_2.loc[idx + (offset,), "Th232" + err_string] = val self.case_tree_df = case_tree_df_2.copy() # Discard experimental data without a correspondent computational data self._exp_comp_case_check(indexes=indexes) self.case_tree_df.sort_values(indexes, axis=0, inplace=True) # Build ExcelWriter object - filepath = os.path.join(self.excel_path_mcnp, 'Tiara_Fission_Cells_CE_tables.xlsx') - writer = pd.ExcelWriter(filepath, engine='xlsxwriter') + filepath = os.path.join( + self.excel_path_mcnp, "Tiara_Fission_Cells_CE_tables.xlsx" + ) + writer = pd.ExcelWriter(filepath, engine="xlsxwriter") # Create 1 worksheet for each energy/material combination - mats = self.case_tree_df.index.unique(level='Shield Material').tolist() - ens = self.case_tree_df.index.unique(level='Energy').tolist() + mats = self.case_tree_df.index.unique(level="Shield Material").tolist() + ens = self.case_tree_df.index.unique(level="Energy").tolist() for shield_material in mats: for energy in ens: # Set MultiIndex structure of the table # Set column names column_names = [] - temp_df = self.case_tree_df.loc(axis=0)[:, shield_material, - energy].copy() - for fission_cell in ['U238', 'Th232']: - column_names.append(('Exp', fission_cell, 'Value')) - column_names.append(('Exp', fission_cell, 'Error')) - libs = self.case_tree_df.index.unique(level='Library').tolist() + temp_df = self.case_tree_df.loc(axis=0)[ + :, shield_material, energy + ].copy() + for fission_cell in ["U238", "Th232"]: + column_names.append(("Exp", fission_cell, "Value")) + column_names.append(("Exp", fission_cell, "Error")) + libs = self.case_tree_df.index.unique(level="Library").tolist() for lib in libs: - for fission_cell in ['U238', 'Th232']: - column_names.append((lib, fission_cell, 'Value')) - column_names.append((lib, fission_cell, 'C/E')) - column_names.append((lib, fission_cell, 'C/E Error')) - names = ['Library', 'Fission Cell', ''] - column_index = pd.MultiIndex.from_tuples(column_names, - names=names) + for fission_cell in ["U238", "Th232"]: + column_names.append((lib, fission_cell, "Value")) + column_names.append((lib, fission_cell, "C/E")) + column_names.append((lib, fission_cell, "C/E Error")) + names = ["Library", "Fission Cell", ""] + column_index = pd.MultiIndex.from_tuples(column_names, names=names) # Set row indexes row_idx_list = [] for idx in temp_df.index.values.tolist(): row_idx_list.append((idx[-2], idx[-1])) - names = ['Shield Thickness', 'Axis offset'] + names = ["Shield Thickness", "Axis offset"] row_idx = pd.MultiIndex.from_tuples(row_idx_list, names=names) # Build new dataframe with desired multindex structure - new_dataframe = pd.DataFrame(columns=column_index, - index=row_idx) + new_dataframe = pd.DataFrame(columns=column_index, index=row_idx) # Fill the new dataframe with proper values for idx_row in new_dataframe.index.values.tolist(): for idx_col in new_dataframe.columns.values.tolist(): - row_tuple = (shield_material, energy, idx_row[0], - idx_row[1]) - if idx_col[0] == 'Exp': - if idx_col[2] == 'Value': + row_tuple = (shield_material, energy, idx_row[0], idx_row[1]) + if idx_col[0] == "Exp": + if idx_col[2] == "Value": val = self.exp_data.loc[row_tuple, idx_col[1]] new_dataframe.loc[idx_row, idx_col] = val else: - val = self.exp_data.loc[row_tuple, - idx_col[1] + ' Error'] + val = self.exp_data.loc[ + row_tuple, idx_col[1] + " Error" + ] new_dataframe.loc[idx_row, idx_col] = val else: row_tuple = (idx_col[0],) + row_tuple - if idx_col[2] == 'Value': + if idx_col[2] == "Value": val = temp_df.loc[row_tuple, idx_col[1]] new_dataframe.loc[idx_row, idx_col] = val - elif idx_col[2] == 'C/E Error': - val1 = temp_df.loc[row_tuple, - idx_col[1] + ' Error'] - val2 = self.exp_data.loc[row_tuple[1:], - idx_col[1] + ' Error'] - ce_err = math.sqrt(val1 ** 2 + val2 ** 2) + elif idx_col[2] == "C/E Error": + val1 = temp_df.loc[row_tuple, idx_col[1] + " Error"] + val2 = self.exp_data.loc[ + row_tuple[1:], idx_col[1] + " Error" + ] + ce_err = math.sqrt(val1**2 + val2**2) new_dataframe.loc[idx_row, idx_col] = ce_err else: val = temp_df.loc[row_tuple, idx_col[1]] - val2 = self.exp_data.loc[row_tuple[1:], - idx_col[1]] - new_dataframe.loc[idx_row, - idx_col] = val / val2 + val2 = self.exp_data.loc[row_tuple[1:], idx_col[1]] + new_dataframe.loc[idx_row, idx_col] = val / val2 # Assign worksheet title and put into Excel conv_df = self._get_conv_df(temp_df) - sheet_name = 'Tiara FC {}, {} MeV'.format(shield_material, - str(energy)) - sort = ['Axis offset', 'Shield Thickness'] + sheet_name = "Tiara FC {}, {} MeV".format(shield_material, str(energy)) + sort = ["Axis offset", "Shield Thickness"] new_dataframe.sort_values(sort, axis=0, inplace=True) new_dataframe = new_dataframe.drop_duplicates() new_dataframe.to_excel(writer, sheet_name=sheet_name) @@ -1192,55 +1249,54 @@ def _read_exp_results(self): """ # Read experimental data from CONDERC Excel file - filepath = os.path.join(self.path_exp_res, 'FC_BS_Experimental-results-CONDERC.xlsx') - FC_data = {('Iron', '43'): pd.read_excel(filepath, - sheet_name='Fission cell', - usecols="A:E", - skiprows=2, - nrows=10), - ('Iron', '68'): pd.read_excel(filepath, - sheet_name='Fission cell', - usecols="A:E", - skiprows=16, - nrows=10), - ('Concrete', '43'): pd.read_excel(filepath, - sheet_name='Fission cell', - usecols="A:E", - skiprows=30, - nrows=8), - ('Concrete', '68'): pd.read_excel(filepath, - sheet_name='Fission cell', - usecols="A:E", - skiprows=42, - nrows=8)} + filepath = os.path.join( + self.path_exp_res, "FC_BS_Experimental-results-CONDERC.xlsx" + ) + FC_data = { + ("Iron", "43"): pd.read_excel( + filepath, sheet_name="Fission cell", usecols="A:E", skiprows=2, nrows=10 + ), + ("Iron", "68"): pd.read_excel( + filepath, + sheet_name="Fission cell", + usecols="A:E", + skiprows=16, + nrows=10, + ), + ("Concrete", "43"): pd.read_excel( + filepath, sheet_name="Fission cell", usecols="A:E", skiprows=30, nrows=8 + ), + ("Concrete", "68"): pd.read_excel( + filepath, sheet_name="Fission cell", usecols="A:E", skiprows=42, nrows=8 + ), + } # Build experimental dataframe exp_data = pd.DataFrame() - index = ['Shield Material', 'Energy', 'Shield Thickness', - 'Axis offset'] + index = ["Shield Material", "Energy", "Shield Thickness", "Axis offset"] for idx, element in FC_data.items(): # Build a first useful structure from CONDERC data - element['Shield Material'] = idx[0] - element['Energy'] = int(idx[1]) - element[["Shield Thickness", "Axis offset"] - ] = element['Fission c./Position (shield t., axis offset)' - ].str.split(",", expand=True) - element['Shield Thickness'] = element['Shield Thickness'].astype( - 'int') - element['Axis offset'] = element['Axis offset'].astype('int') - element.drop('Fission c./Position (shield t., axis offset)', - axis=1, inplace=True) + element["Shield Material"] = idx[0] + element["Energy"] = int(idx[1]) + element[["Shield Thickness", "Axis offset"]] = element[ + "Fission c./Position (shield t., axis offset)" + ].str.split(",", expand=True) + element["Shield Thickness"] = element["Shield Thickness"].astype("int") + element["Axis offset"] = element["Axis offset"].astype("int") + element.drop( + "Fission c./Position (shield t., axis offset)", axis=1, inplace=True + ) element = element.set_index(index) element.index.names = index exp_data = exp_data.append(element) # Make exp data normalization compatible with tally outputs - exp_data['238 U [/1e24]'] *= 1e24 - exp_data['232 Th [/1e24]'] *= 1e24 - exp_data['err [%]'] /= 100 - exp_data['err [%].1'] /= 100 + exp_data["238 U [/1e24]"] *= 1e24 + exp_data["232 Th [/1e24]"] *= 1e24 + exp_data["err [%]"] /= 100 + exp_data["err [%].1"] /= 100 # Rename columns and sort values - exp_data.columns = ['U238', 'U238 Error', 'Th232', 'Th232 Error'] - inde = ['Shield Material', 'Energy', 'Axis offset', 'Shield Thickness'] + exp_data.columns = ["U238", "U238 Error", "Th232", "Th232 Error"] + inde = ["Shield Material", "Energy", "Axis offset", "Shield Thickness"] exp_data.sort_values(inde, axis=0, inplace=True) # Assign exp data variable self.exp_data = exp_data @@ -1250,14 +1306,13 @@ def _build_atlas(self, tmp_path, atlas): See ExperimentalOutput documentation """ # Set plot and axes details - unit = '-' - quantity = ['On-axis C/E', 'Off-axis 20 cm C/E'] - xlabel = 'Shield thickness [cm]' - f_cell_list = ['U238', 'Th232'] + unit = "-" + quantity = ["On-axis C/E", "Off-axis 20 cm C/E"] + xlabel = "Shield thickness [cm]" + f_cell_list = ["U238", "Th232"] # Loop over shield material/energy combinations - mat_list = self.case_tree_df.index.unique(level='Shield Material' - ).tolist() - e_list = self.case_tree_df.index.unique(level='Energy').tolist() + mat_list = self.case_tree_df.index.unique(level="Shield Material").tolist() + e_list = self.case_tree_df.index.unique(level="Energy").tolist() for shield_material in mat_list: for energy in e_list: @@ -1265,16 +1320,15 @@ def _build_atlas(self, tmp_path, atlas): data_U_p = [] data_Th_p = [] exp_dat = self.exp_data.loc(axis=0)[shield_material, energy] - thick_list = exp_dat.index.unique(level='Shield Thickness' - ).tolist() - off_list = exp_dat.index.unique(level='Axis offset').tolist() + thick_list = exp_dat.index.unique(level="Shield Thickness").tolist() + off_list = exp_dat.index.unique(level="Axis offset").tolist() for thick in thick_list: for offset in off_list: idx = (thick, offset) if idx not in exp_dat.index.values.tolist(): exp_dat.loc[idx, :] = [None] * len(exp_dat.columns) exp_dat.replace(to_replace=[None], value=np.nan, inplace=True) - sort_idx = ['Axis offset', 'Shield Thickness'] + sort_idx = ["Axis offset", "Shield Thickness"] exp_dat.sort_values(sort_idx, axis=0, inplace=True) x = np.array(thick_list) @@ -1289,13 +1343,16 @@ def _build_atlas(self, tmp_path, atlas): for offset in off_list: y_dat = exp_dat.loc(axis=0)[:, offset] y[f_cell].append(y_dat[f_cell].to_numpy()) - err[f_cell].append(y_dat[f_cell + ' Error'].to_numpy()) + err[f_cell].append(y_dat[f_cell + " Error"].to_numpy()) # Append experimental data - ylabel = 'Experiment' - data_U = {'x': x, 'y': y['U238'], 'err': err['U238'], - 'ylabel': ylabel} - data_Th = {'x': x, 'y': y['Th232'], 'err': err['Th232'], - 'ylabel': ylabel} + ylabel = "Experiment" + data_U = {"x": x, "y": y["U238"], "err": err["U238"], "ylabel": ylabel} + data_Th = { + "x": x, + "y": y["Th232"], + "err": err["Th232"], + "ylabel": ylabel, + } data_U_p.append(data_U) data_Th_p.append(data_Th) @@ -1303,23 +1360,23 @@ def _build_atlas(self, tmp_path, atlas): for lib in self.lib[1:]: # Get proper computational data ylabel = self.session.conf.get_lib_name(lib) - mcnp_data = self.case_tree_df.loc(axis=0)[ylabel, - shield_material, - energy] + mcnp_data = self.case_tree_df.loc(axis=0)[ + ylabel, shield_material, energy + ] thick_list = mcnp_data.index.unique( - level='Shield Thickness').tolist() - off_list = mcnp_data.index.unique(level='Axis offset' - ).tolist() + level="Shield Thickness" + ).tolist() + off_list = mcnp_data.index.unique(level="Axis offset").tolist() for thick in thick_list: for offset in off_list: idx = (thick, offset) if idx not in mcnp_data.index.values.tolist(): col = mcnp_data.columns mcnp_data.loc[idx, :] = [None] * len(col) - mcnp_data.replace(to_replace=[None], value=np.nan, - inplace=True) - mcnp_data.sort_values(['Axis offset', 'Shield Thickness'], - axis=0, inplace=True) + mcnp_data.replace(to_replace=[None], value=np.nan, inplace=True) + mcnp_data.sort_values( + ["Axis offset", "Shield Thickness"], axis=0, inplace=True + ) # Save proper computational data in variables x = np.array(thick_list) @@ -1333,26 +1390,42 @@ def _build_atlas(self, tmp_path, atlas): for offset in off_list: y_dat = mcnp_data.loc(axis=0)[:, offset] y[f_cell].append(y_dat[f_cell].to_numpy()) - err[f_cell].append(y_dat[f_cell + ' Error' - ].to_numpy()) + err[f_cell].append(y_dat[f_cell + " Error"].to_numpy()) # Append computational data to data dict - data_U = {'x': x, 'y': y['U238'], 'err': err['U238'], - 'ylabel': ylabel} - data_Th = {'x': x, 'y': y['Th232'], - 'err': err['Th232'], 'ylabel': ylabel} + data_U = { + "x": x, + "y": y["U238"], + "err": err["U238"], + "ylabel": ylabel, + } + data_Th = { + "x": x, + "y": y["Th232"], + "err": err["Th232"], + "ylabel": ylabel, + } data_U_p.append(data_U) data_Th_p.append(data_Th) - fission_cell = ['Uranium-238', 'Thorium-232'] + fission_cell = ["Uranium-238", "Thorium-232"] for cont, data in enumerate([data_U_p, data_Th_p]): # Set title and send to plotter - title = 'Tiara Experiment: {} Fission Cell detector,\nEnergy: {} MeV, Shield material: {}'.format( - fission_cell[cont], str(energy), shield_material) - outname = 'tmp' - plot = Plotter(data, title, tmp_path, outname, quantity, - unit, xlabel, self.testname) - img_path = plot.plot('Waves') + title = "Tiara Experiment: {} Fission Cell detector,\nEnergy: {} MeV, Shield material: {}".format( + fission_cell[cont], str(energy), shield_material + ) + outname = "tmp" + plot = Plotter( + data, + title, + tmp_path, + outname, + quantity, + unit, + xlabel, + self.testname, + ) + img_path = plot.plot("Waves") atlas.insert_img(img_path) return atlas @@ -1367,47 +1440,47 @@ def _pp_excel_comparison(self): # Get main dataframe with computational data of all cases self.case_tree_df = self._case_tree_df_build() # Rename columns of mcnp dataframe properly - columns = ['Bare', '15 mm', '30 mm', '50 mm', '90 mm'] + columns = ["Bare", "15 mm", "30 mm", "50 mm", "90 mm"] err_columns = [] for strings in columns: - err_columns.append(strings + ' Error') + err_columns.append(strings + " Error") columns_mcnp = [] for i, col in enumerate(columns): columns_mcnp.append(columns[i]) columns_mcnp.append(err_columns[i]) - self.case_tree_df.rename(columns=dict(zip(self.case_tree_df.columns, - columns_mcnp)), inplace=True) - indexes = ['Library', 'Shield Material', 'Energy', 'Shield Thickness'] + self.case_tree_df.rename( + columns=dict(zip(self.case_tree_df.columns, columns_mcnp)), inplace=True + ) + indexes = ["Library", "Shield Material", "Energy", "Shield Thickness"] self._exp_comp_case_check(indexes=indexes) # Create ExcelWriter object - filepath = os.path.join(self.excel_path_mcnp ,\ - 'Tiara_Bonner_Spheres_CE_tables.xlsx') - writer = pd.ExcelWriter(filepath, engine='xlsxwriter') + filepath = os.path.join( + self.excel_path_mcnp, "Tiara_Bonner_Spheres_CE_tables.xlsx" + ) + writer = pd.ExcelWriter(filepath, engine="xlsxwriter") # Loop over shield material/energy combinations - mat_list = self.case_tree_df.index.unique(level='Shield Material' - ).tolist() - e_list = self.case_tree_df.index.unique(level='Energy').tolist() + mat_list = self.case_tree_df.index.unique(level="Shield Material").tolist() + e_list = self.case_tree_df.index.unique(level="Energy").tolist() for shield_material in mat_list: for energy in e_list: # Select the cases with the energy/material combination column_names = [] - comp_data = self.case_tree_df.loc(axis=0)[:, - shield_material, - energy] + comp_data = self.case_tree_df.loc(axis=0)[:, shield_material, energy] exp_data = self.exp_data.loc(axis=0)[shield_material, energy] thick_list = exp_data.index.unique().tolist() for shield_thickness in thick_list: - column_names.append(('Exp', shield_thickness, 'Value')) - lib_list = comp_data.index.unique(level='Library').tolist() + column_names.append(("Exp", shield_thickness, "Value")) + lib_list = comp_data.index.unique(level="Library").tolist() for lib in lib_list: thick_list = comp_data.index.unique( - level='Shield Thickness').tolist() + level="Shield Thickness" + ).tolist() for shield_thickness in thick_list: - column_names.append((lib, shield_thickness, 'Value')) - column_names.append((lib, shield_thickness, 'Error')) - column_names.append((lib, shield_thickness, 'C/E')) - names = ['Library', 'Shield Thickness', ''] + column_names.append((lib, shield_thickness, "Value")) + column_names.append((lib, shield_thickness, "Error")) + column_names.append((lib, shield_thickness, "C/E")) + names = ["Library", "Shield Thickness", ""] index = pd.MultiIndex.from_tuples(column_names, names=names) # Create new dataframe with the MultiIndex structure @@ -1416,29 +1489,30 @@ def _pp_excel_comparison(self): # Add the proper values in the new dataframe for idx_row in new_dataframe.index.values.tolist(): for idx_col in new_dataframe.columns.values.tolist(): - if idx_col[0] == 'Exp': + if idx_col[0] == "Exp": val = exp_data.loc[idx_col[1], idx_row] new_dataframe.loc[idx_row, idx_col] = val else: - row_tuple = (idx_col[0], shield_material, energy, - idx_col[1]) - if idx_col[2] == 'Value': + row_tuple = ( + idx_col[0], + shield_material, + energy, + idx_col[1], + ) + if idx_col[2] == "Value": val = comp_data.loc[row_tuple, idx_row] new_dataframe.loc[idx_row, idx_col] = val - elif idx_col[2] == 'Error': - val = comp_data.loc[row_tuple, - idx_row + ' Error'] + elif idx_col[2] == "Error": + val = comp_data.loc[row_tuple, idx_row + " Error"] new_dataframe.loc[idx_row, idx_col] = val else: val = comp_data.loc[row_tuple, idx_row] val2 = exp_data.loc[idx_col[1], idx_row] - new_dataframe.loc[idx_row, - idx_col] = val / val2 + new_dataframe.loc[idx_row, idx_col] = val / val2 # Print the dataframe in a worksheet in Excel file conv_df = self._get_conv_df(comp_data) - sheet_name = 'Tiara {}, {} MeV' .format(shield_material, - str(energy)) + sheet_name = "Tiara {}, {} MeV".format(shield_material, str(energy)) new_dataframe.to_excel(writer, sheet_name=sheet_name) conv_df.to_excel(writer, sheet_name=sheet_name, startrow=12) # Close the Pandas Excel writer object and output the Excel file @@ -1451,41 +1525,39 @@ def _read_exp_results(self): """ # Get experimental data filepath - filepath = os.path.join(self.path_exp_res ,\ - 'FC_BS_Experimental-results-CONDERC.xlsx') + filepath = os.path.join( + self.path_exp_res, "FC_BS_Experimental-results-CONDERC.xlsx" + ) # Read exp data from CONDERC excel file - s_name = 'Bonner sphere' - BS_data = {('Iron', '43'): pd.read_excel(filepath, - sheet_name=s_name, - usecols="A:F", skiprows=2, - nrows=3), - ('Iron', '68'): pd.read_excel(filepath, - sheet_name=s_name, - usecols="A:F", skiprows=9, - nrows=3), - ('Concrete', '43'): pd.read_excel(filepath, - sheet_name=s_name, - usecols="A:F", - skiprows=16, - nrows=4), - ('Concrete', '68'): pd.read_excel(filepath, - sheet_name=s_name, - usecols="A:F", - skiprows=24, - nrows=3)} + s_name = "Bonner sphere" + BS_data = { + ("Iron", "43"): pd.read_excel( + filepath, sheet_name=s_name, usecols="A:F", skiprows=2, nrows=3 + ), + ("Iron", "68"): pd.read_excel( + filepath, sheet_name=s_name, usecols="A:F", skiprows=9, nrows=3 + ), + ("Concrete", "43"): pd.read_excel( + filepath, sheet_name=s_name, usecols="A:F", skiprows=16, nrows=4 + ), + ("Concrete", "68"): pd.read_excel( + filepath, sheet_name=s_name, usecols="A:F", skiprows=24, nrows=3 + ), + } for key, value in BS_data.items(): value["Shield Material"] = key[0] - value['Energy'] = int(key[1]) + value["Energy"] = int(key[1]) exp_data = pd.DataFrame() for value in BS_data.values(): exp_data = exp_data.append(value, ignore_index=True) # Adjust experimental data dataframe's structure - exp_data.rename(columns={'Polyethylene t./Shield t.': - 'Shield Thickness'}, inplace=True) - indexes = ['Shield Material', 'Energy', 'Shield Thickness'] + exp_data.rename( + columns={"Polyethylene t./Shield t.": "Shield Thickness"}, inplace=True + ) + indexes = ["Shield Material", "Energy", "Shield Thickness"] exp_data = exp_data.set_index(indexes) exp_data.sort_values(indexes, axis=0, inplace=True) @@ -1497,10 +1569,10 @@ def _build_atlas(self, tmp_path, atlas): See ExperimentalOutput documentation """ # Set plot axes - unit = '-' - quantity = ['C/E'] - xlabel = 'Bonner Sphere Radius [mm]' - x = ['Bare', '15', '30', '50', '90'] + unit = "-" + quantity = ["C/E"] + xlabel = "Bonner Sphere Radius [mm]" + x = ["Bare", "15", "30", "50", "90"] # Loop over all benchmark cases (materials) for idx, values in self.exp_data.iterrows(): @@ -1510,17 +1582,23 @@ def _build_atlas(self, tmp_path, atlas): err = [np.zeros(len(y))] # Append experimental data to data list (sent to plotter) - ylabel = 'Experiment' - data_p = {'x': x, 'y': y, 'err': err, 'ylabel': ylabel} + ylabel = "Experiment" + data_p = {"x": x, "y": y, "err": err, "ylabel": ylabel} data.append(data_p) # Loop over selected libraries for lib in self.lib[1:]: # Get library name, assign title to the plot ylabel = self.session.conf.get_lib_name(lib) - title = 'Tiara Experiment: Bonner Spheres detector,\nEnergy: ' + \ - str(idx[1]) + ' MeV, Shield material: ' + idx[0] + \ - ', Shield thickness: ' + str(idx[2]) + ' cm' + title = ( + "Tiara Experiment: Bonner Spheres detector,\nEnergy: " + + str(idx[1]) + + " MeV, Shield material: " + + idx[0] + + ", Shield thickness: " + + str(idx[2]) + + " cm" + ) # Get computational data and errors for the selected case comp_idx = (ylabel,) + idx @@ -1529,14 +1607,15 @@ def _build_atlas(self, tmp_path, atlas): err = [err.iloc[1::2]] # Append computational data to data list(to be sent to plotter) - data_p = {'x': x, 'y': y, 'err': err, 'ylabel': ylabel} + data_p = {"x": x, "y": y, "err": err, "ylabel": ylabel} data.append(data_p) # Send data to plotter - outname = 'tmp' - plot = Plotter(data, title, tmp_path, outname, quantity, unit, - xlabel, self.testname) - img_path = plot.plot('Waves') + outname = "tmp" + plot = Plotter( + data, title, tmp_path, outname, quantity, unit, xlabel, self.testname + ) + img_path = plot.plot("Waves") atlas.insert_img(img_path) return atlas @@ -1552,75 +1631,72 @@ def _pp_excel_comparison(self): lib_names_dict = {} column_names = [] - column_names.append(('Exp', 'Value')) - column_names.append(('Exp', 'Error')) + column_names.append(("Exp", "Value")) + column_names.append(("Exp", "Error")) for lib in self.lib[1:]: namelib = self.session.conf.get_lib_name(lib) lib_names_dict[namelib] = lib - column_names.append((namelib, 'Value')) - column_names.append((namelib, 'C/E')) - column_names.append((namelib, 'C/E Error')) + column_names.append((namelib, "Value")) + column_names.append((namelib, "C/E")) + column_names.append((namelib, "C/E Error")) - names = ['Library', ''] + names = ["Library", ""] column_index = pd.MultiIndex.from_tuples(column_names, names=names) - #filepath = self.excel_path_mcnp + '\\' + self.testname + '_CE_tables.xlsx' + # filepath = self.excel_path_mcnp + '\\' + self.testname + '_CE_tables.xlsx' filepath = os.path.join(self.excel_path_mcnp, f"{self.testname}_CE_tables.xlsx") - writer = pd.ExcelWriter(filepath, engine='xlsxwriter') - #TODO Replace when other transport codes implemented. - code = 'mcnp' + writer = pd.ExcelWriter(filepath, engine="xlsxwriter") + # TODO Replace when other transport codes implemented. + code = "mcnp" for mat in self.inputs: exp_folder = os.path.join(self.path_exp_res, mat) - exp_filename = self.testname + '_' + mat + '.csv' + exp_filename = self.testname + "_" + mat + ".csv" exp_filepath = os.path.join(exp_folder, exp_filename) exp_data_df = pd.read_csv(exp_filepath) # Get experimental data and errors for the selected benchmark case - x = exp_data_df['Depth'].values.tolist() - indexes = pd.Index(data=x, name='Depth [cm]') + x = exp_data_df["Depth"].values.tolist() + indexes = pd.Index(data=x, name="Depth [cm]") df_tab = pd.DataFrame(index=indexes, columns=column_index) for idx_col in df_tab.columns.values.tolist(): - if idx_col[0] == 'Exp': - if idx_col[1] == 'Value': - vals = exp_data_df.loc[:, 'Reaction Rate'].tolist() + if idx_col[0] == "Exp": + if idx_col[1] == "Value": + vals = exp_data_df.loc[:, "Reaction Rate"].tolist() df_tab[idx_col] = vals else: - vals = exp_data_df.loc[:, 'Error'].to_numpy() / 100 + vals = exp_data_df.loc[:, "Error"].to_numpy() / 100 vals = vals.tolist() df_tab[idx_col] = vals else: t = (mat, lib_names_dict[idx_col[0]]) - if idx_col[1] == 'Value': - if mat != 'TLD': - vals = self.raw_data[code][t][4]['Value'].values[:len(x)] + if idx_col[1] == "Value": + if mat != "TLD": + vals = self.raw_data[code][t][4]["Value"].values[: len(x)] else: - vals = self.raw_data[code][t][6]['Value'].values[:len(x)] + vals = self.raw_data[code][t][6]["Value"].values[: len(x)] df_tab[idx_col] = vals - elif idx_col[1] == 'C/E Error': - if mat != 'TLD': - errs = self.raw_data[code][t][4]['Error'].values[:len(x)] + elif idx_col[1] == "C/E Error": + if mat != "TLD": + errs = self.raw_data[code][t][4]["Error"].values[: len(x)] else: - errs = self.raw_data[code][t][6]['Error'].values[:len(x)] + errs = self.raw_data[code][t][6]["Error"].values[: len(x)] vals1 = np.square(errs) - vals2 = np.square(exp_data_df.loc[:, 'Error' - ].to_numpy() / 100) + vals2 = np.square(exp_data_df.loc[:, "Error"].to_numpy() / 100) ce_err = np.sqrt(vals1 + vals2) ce_err = ce_err.tolist() df_tab[idx_col] = ce_err else: - if mat != 'TLD': - vals1 = self.raw_data[code][t][4]['Value' - ].values[:len(x)] + if mat != "TLD": + vals1 = self.raw_data[code][t][4]["Value"].values[: len(x)] else: - vals1 = self.raw_data[code][t][6]['Value' - ].values[:len(x)] - vals2 = exp_data_df.loc[:, 'Reaction Rate'].to_numpy() + vals1 = self.raw_data[code][t][6]["Value"].values[: len(x)] + vals2 = exp_data_df.loc[:, "Reaction Rate"].to_numpy() ratio = vals1 / vals2 ratio = ratio.tolist() df_tab[idx_col] = vals1 / vals2 # Assign worksheet title and put into Excel conv_df = self._get_conv_df(mat, len(x)) - sheet = self.testname.replace('-', ' ') - sheet_name = sheet + ', Foil {}'.format(mat) + sheet = self.testname.replace("-", " ") + sheet_name = sheet + ", Foil {}".format(mat) df_tab.to_excel(writer, sheet_name=sheet_name) conv_df.to_excel(writer, sheet_name=sheet_name, startrow=18) # Close the Pandas Excel writer object and output the Excel file @@ -1631,83 +1707,88 @@ def _build_atlas(self, tmp_path, atlas): See ExperimentalOutput documentation """ # Set plot and axes details - unit = '-' - quantity = ['C/E'] - xlabel = 'Shielding thickness [cm]' + unit = "-" + quantity = ["C/E"] + xlabel = "Shielding thickness [cm]" data = [] - #TODO Replace when other transport codes implemented. - code = 'mcnp' - for material in tqdm(self.inputs, desc='Foil: '): + # TODO Replace when other transport codes implemented. + code = "mcnp" + for material in tqdm(self.inputs, desc="Foil: "): data = [] exp_folder = os.path.join(self.path_exp_res, material) - exp_filename = self.testname + '_' + material + '.csv' + exp_filename = self.testname + "_" + material + ".csv" exp_filepath = os.path.join(exp_folder, exp_filename) exp_data_df = pd.read_csv(exp_filepath) # Get experimental data and errors for the selected benchmark case - x = exp_data_df['Depth'].values + x = exp_data_df["Depth"].values y = [] err = [] - y.append(exp_data_df['Reaction Rate'].values) - err.append(exp_data_df['Error'].values / 100) + y.append(exp_data_df["Reaction Rate"].values) + err.append(exp_data_df["Error"].values / 100) # Append experimental data to data list (sent to plotter) - ylabel = 'Experiment' - data_exp = {'x': x, 'y': y, 'err': err, 'ylabel': ylabel} + ylabel = "Experiment" + data_exp = {"x": x, "y": y, "err": err, "ylabel": ylabel} data.append(data_exp) - if material != 'TLD': - title = self.testname + ' experiment, Foil: ' + material + if material != "TLD": + title = self.testname + " experiment, Foil: " + material else: - title = self.testname + \ - ' experiment, Gamma absorbed dose in TLD-300 detectors' + title = ( + self.testname + + " experiment, Gamma absorbed dose in TLD-300 detectors" + ) # Loop over selected libraries for lib in self.lib[1:]: # Get library name, assign title to the plot ylabel = self.session.conf.get_lib_name(lib) y = [] err = [] - if material != 'TLD': - v = self.raw_data[code][(material, lib) - ][4]['Value'].values[:len(x)] + if material != "TLD": + v = self.raw_data[code][(material, lib)][4]["Value"].values[ + : len(x) + ] else: - v = self.raw_data[code][(material, lib) - ][6]['Value'].values[:len(x)] + v = self.raw_data[code][(material, lib)][6]["Value"].values[ + : len(x) + ] y.append(v) - if material != 'TLD': - v = self.raw_data[code][(material, lib) - ][4]['Error'].values[:len(x)] + if material != "TLD": + v = self.raw_data[code][(material, lib)][4]["Error"].values[ + : len(x) + ] else: - v = self.raw_data[code][(material, lib) - ][6]['Error'].values[:len(x)] + v = self.raw_data[code][(material, lib)][6]["Error"].values[ + : len(x) + ] err.append(v) # Append computational data to data list(to be sent to plotter) - data_comp = {'x': x, 'y': y, 'err': err, 'ylabel': ylabel} + data_comp = {"x": x, "y": y, "err": err, "ylabel": ylabel} data.append(data_comp) # Send data to plotter - outname = 'tmp' - plot = Plotter(data, title, tmp_path, outname, quantity, unit, - xlabel, self.testname) - img_path = plot.plot('Waves') + outname = "tmp" + plot = Plotter( + data, title, tmp_path, outname, quantity, unit, xlabel, self.testname + ) + img_path = plot.plot("Waves") atlas.insert_img(img_path) return atlas def _get_conv_df(self, mat, size): - #TODO Replace when other transport codes implemented. - code = 'mcnp' + # TODO Replace when other transport codes implemented. + code = "mcnp" conv_df = pd.DataFrame() for lib in self.lib[1:]: - if mat != 'TLD': - max = self.raw_data[code][(mat, lib)][4]['Error'].values[:size].max() - avg = self.raw_data[code][(mat, lib)][4]['Error' - ].values[:size].mean() + if mat != "TLD": + max = self.raw_data[code][(mat, lib)][4]["Error"].values[:size].max() + avg = self.raw_data[code][(mat, lib)][4]["Error"].values[:size].mean() else: - max = self.raw_data[code][(mat, lib)][6]['Error'].values[:size].max() - avg = self.raw_data[code][(mat, lib)][6]['Error' - ].values[:size].mean() + max = self.raw_data[code][(mat, lib)][6]["Error"].values[:size].max() + avg = self.raw_data[code][(mat, lib)][6]["Error"].values[:size].mean() library = self.session.conf.get_lib_name(lib) - conv_df.loc['Max Error', library] = max - conv_df.loc['Average Error', library] = avg + conv_df.loc["Max Error", library] = max + conv_df.loc["Average Error", library] = avg return conv_df @@ -1720,9 +1801,8 @@ def _build_atlas(self, tmp_path, atlas): """ self.tables = [] self.groups = pd.read_excel(self.cnf_path) - self.groups = self.groups.set_index(['Group', 'Tally', 'Input']) - self.group_list = self.groups.index.get_level_values( - 'Group').unique().tolist() + self.groups = self.groups.set_index(["Group", "Tally", "Input"]) + self.group_list = self.groups.index.get_level_values("Group").unique().tolist() for group in self.group_list: self._plot_tally_group(group, tmp_path, atlas) @@ -1734,72 +1814,87 @@ def _build_atlas(self, tmp_path, atlas): def _plot_tally_group(self, group, tmp_path, atlas): # Extract 'Tally' and 'Input' values for the current 'Group' - group_data = self.groups.xs(group, level='Group', - drop_level=False) + group_data = self.groups.xs(group, level="Group", drop_level=False) data_group = {} group_lab = [] - mult_factors = group_data['Multiplying factor'].values.tolist() + mult_factors = group_data["Multiplying factor"].values.tolist() for m, idx in enumerate(group_data.index.tolist()): tallynum = idx[1] input = idx[2] if str(tallynum) not in self.results[input, self.lib[1]].keys(): continue - quantity = group_data.loc[(group, tallynum, input), 'Quantity'] - particle = group_data.loc[(group, tallynum, input), - 'Particle'] - add_info = group_data.loc[(group, tallynum, input), 'Y Label'] - quant_string = particle + ' ' + quantity + ' ' + add_info - e_int = group_data.loc[(group, tallynum, input), - 'C/E X Quantity intervals'] - e_int = e_int.split('-') + quantity = group_data.loc[(group, tallynum, input), "Quantity"] + particle = group_data.loc[(group, tallynum, input), "Particle"] + add_info = group_data.loc[(group, tallynum, input), "Y Label"] + quant_string = particle + " " + quantity + " " + add_info + e_int = group_data.loc[(group, tallynum, input), "C/E X Quantity intervals"] + e_int = e_int.split("-") # Convert the list of number strings into a list of integers e_intervals = [float(num) for num in e_int] - data_temp, xlabel = self._data_collect(input, str(tallynum), - quant_string, e_intervals) + data_temp, xlabel = self._data_collect( + input, str(tallynum), quant_string, e_intervals + ) if data_temp is None: continue data_group[m] = data_temp - unit = group_data.loc[(group, tallynum, input), 'Y Unit'] + unit = group_data.loc[(group, tallynum, input), "Y Unit"] group_lab.append(add_info) # Once the data is collected it is passed to the plotter title = self._define_title(input, particle, quantity) - outname = 'tmp' - plot = Plotter(data_group, title, tmp_path, outname, quantity, - unit, xlabel, self.testname, group_num=group, - add_labels=group_lab, mult_factors=mult_factors) - img_path = plot.plot('Experimental points group') + outname = "tmp" + plot = Plotter( + data_group, + title, + tmp_path, + outname, + quantity, + unit, + xlabel, + self.testname, + group_num=group, + add_labels=group_lab, + mult_factors=mult_factors, + ) + img_path = plot.plot("Experimental points group") atlas.doc.add_heading(title, level=1) atlas.insert_img(img_path) - img_path = plot.plot('Experimental points group CE') - atlas.doc.add_heading(title + ' C/E', level=1) + img_path = plot.plot("Experimental points group CE") + atlas.doc.add_heading(title + " C/E", level=1) atlas.insert_img(img_path) return atlas def _define_title(self, input, particle, quantity): if not self.multiplerun: - title = self.testname + ', ' + particle + ' ' + quantity - elif self.testname == 'Tiara-BC': - mat = input.split('-')[0] - if mat == 'cc': - material = 'Concrete' + title = self.testname + ", " + particle + " " + quantity + elif self.testname == "Tiara-BC": + mat = input.split("-")[0] + if mat == "cc": + material = "Concrete" else: - material = 'Iron' - energy = input.split('-')[1] - sh_th = input.split('-')[2] - add_coll = input.split('-')[3] - title = self.testname + ', Shielding: ' + material + \ - ', ' + sh_th + 'cm; Source energy: ' + energy + \ - ' MeV; Additional collimator: ' + add_coll + \ - ' cm' - elif self.testname == 'FNS-TOF': - mat = input.split('-')[0] - sl_th = input.split('-')[1] - title = self.testname + ', ' + sl_th + 'cm ' + mat + ' slab' + material = "Iron" + energy = input.split("-")[1] + sh_th = input.split("-")[2] + add_coll = input.split("-")[3] + title = ( + self.testname + + ", Shielding: " + + material + + ", " + + sh_th + + "cm; Source energy: " + + energy + + " MeV; Additional collimator: " + + add_coll + + " cm" + ) + elif self.testname == "FNS-TOF": + mat = input.split("-")[0] + sl_th = input.split("-")[1] + title = self.testname + ", " + sl_th + "cm " + mat + " slab" else: - title = self.testname + ', ' + particle + ' ' + \ - quantity + title = self.testname + ", " + particle + " " + quantity return title diff --git a/jade/gui.py b/jade/gui.py index f5838f6e..1cab0c5d 100644 --- a/jade/gui.py +++ b/jade/gui.py @@ -22,16 +22,18 @@ along with JADE. If not, see . """ from __future__ import annotations -from typing import TYPE_CHECKING + import os import sys +from typing import TYPE_CHECKING + +from tqdm import tqdm import jade.computational as cmp import jade.postprocess as pp import jade.testrun as testrun import jade.utilitiesgui as uty from jade.__version__ import __version__ -from tqdm import tqdm from jade.status import EXP_TAG if TYPE_CHECKING: @@ -42,6 +44,7 @@ version = __version__ POWERED_BY = "NIER, UNIBO, F4E, UKAEA" + def clear_screen(): if os.name == "nt": os.system("cls") diff --git a/jade/inputfile.py b/jade/inputfile.py index 2271e811..e15988c4 100644 --- a/jade/inputfile.py +++ b/jade/inputfile.py @@ -29,11 +29,11 @@ import warnings from contextlib import contextmanager +from numjuggler import parser as par + import jade.matreader as mat from jade.parsersD1S import Reaction, ReactionFile -from numjuggler import parser as par - class InputFile: @@ -84,9 +84,9 @@ def from_text(cls, inputfile): None. """ - matPat = re.compile(r'[mM]\d+') - mxPat = re.compile(r'mx\d+', re.IGNORECASE) - commentPat = re.compile('[cC]') + matPat = re.compile(r"[mM]\d+") + mxPat = re.compile(r"mx\d+", re.IGNORECASE) + commentPat = re.compile("[cC]") # Using parser the data cards are extracted from the input. # Comment sections are interpreted as cards by the parser with suppress_stdout(): @@ -95,40 +95,40 @@ def from_text(cls, inputfile): cardsDic = par.get_blocks(cards) datacards = cardsDic[5] - cards = {'cells': cardsDic[3], # Parser cards - 'surf': cardsDic[4], # Parser cards - 'settings': []} # Parser cards + cards = { + "cells": cardsDic[3], # Parser cards + "surf": cardsDic[4], # Parser cards + "settings": [], + } # Parser cards # Check for a title try: - cards['title'] = cardsDic[2][0] + cards["title"] = cardsDic[2][0] except KeyError: - cards['title'] = None + cards["title"] = None -# materials = [] # Custom material objects! + # materials = [] # Custom material objects! - previous_lines = [''] + previous_lines = [""] for datacard in datacards: lines = datacard.lines # Check if it is a material card or mx card to ignore - if matPat.match(lines[0]) is not None \ - or mxPat.match(lines[0]) is not None: + if matPat.match(lines[0]) is not None or mxPat.match(lines[0]) is not None: # Ignore # Check if previous card is the header if commentPat.match(previous_lines[0]): # cancel the comment from settings - del cards['settings'][-1] + del cards["settings"][-1] # Not a material else: - cards['settings'].append(datacard) + cards["settings"].append(datacard) previous_lines = lines matlist = mat.MatCardsList.from_input(inputfile) - return cls(cards, matlist, - name=os.path.basename(inputfile).split('.')[0]) + return cls(cards, matlist, name=os.path.basename(inputfile).split(".")[0]) def write(self, out): """ @@ -146,7 +146,7 @@ def write(self, out): """ to_print = self._to_text() - with open(out, 'w') as outfile: + with open(out, "w") as outfile: outfile.write(to_print) def _to_text(self): @@ -160,36 +160,36 @@ def _to_text(self): """ lines = [] - if self.cards['title'] is not None: - lines.extend(self.cards['title'].lines) + if self.cards["title"] is not None: + lines.extend(self.cards["title"].lines) # Add cells - for card in self.cards['cells']: + for card in self.cards["cells"]: lines.extend(card.lines) - lines.append('\n') # Section breaker + lines.append("\n") # Section breaker # Add surfaces - for card in self.cards['surf']: + for card in self.cards["surf"]: lines.extend(card.lines) - lines.append('\n') # Section breaker + lines.append("\n") # Section breaker # Add materials lines.append(self.matlist.to_text()) - lines.append('\n') # Missing + lines.append("\n") # Missing # Add remaining data cards - for card in self.cards['settings']: + for card in self.cards["settings"]: lines.extend(card.lines) - toprint = '' + toprint = "" for line in lines: - toprint = toprint+line + toprint = toprint + line return toprint - def translate(self, newlib, libmanager, code='mcnp'): + def translate(self, newlib, libmanager, code="mcnp"): """ Translate the input to another library @@ -206,7 +206,7 @@ def translate(self, newlib, libmanager, code='mcnp'): """ try: - if newlib[0] == '{': + if newlib[0] == "{": # covert the dic newlib = json.loads(newlib) except KeyError: @@ -248,20 +248,22 @@ def add_stopCard(self, nps): """ - line = 'STOP ' + line = "STOP " if nps is not None: try: - line = line+'NPS '+str(int(nps))+' ' + line = line + "NPS " + str(int(nps)) + " " except ValueError: pass # an escaped NaN - if line == 'STOP ': - raise ValueError(""" -Specify an nps for the simulation""") + if line == "STOP ": + raise ValueError( + """ +Specify an nps for the simulation""" + ) - line = line+'\n' + line = line + "\n" card = par.Card([line], 5, -1) - self.cards['settings'].append(card) + self.cards["settings"].append(card) def change_density(self, density, cellidx=1): """ @@ -282,9 +284,9 @@ def change_density(self, density, cellidx=1): # Change density in sphere cell try: - card = self.cards['cells'][cellidx] + card = self.cards["cells"][cellidx] except IndexError: - raise ValueError('cell n. {} is not available') + raise ValueError("cell n. {} is not available") card.get_values() card.set_d(str(density)) card.lines = card.card() @@ -353,12 +355,12 @@ def get_card_byID(self, blockID, cardID): """ # pattern of card IDs - patCardID = re.compile(r'{}\s+'.format(str(cardID)), re.IGNORECASE) + patCardID = re.compile(r"{}\s+".format(str(cardID)), re.IGNORECASE) # Try to get the correct block of cards try: block = self.cards[blockID] except KeyError: - raise ValueError(blockID+' is not a valid block') + raise ValueError(blockID + " is not a valid block") # Try to find the card for card in block: @@ -404,7 +406,7 @@ def addlines2card(self, lines, blockID, cardID, offset_all=True): return False @staticmethod - def mcnp_wrap(text, maxchars=80, whitespace=' ', offset_all=True): + def mcnp_wrap(text, maxchars=80, whitespace=" ", offset_all=True): """ Wrap the text of a card in MCNP style @@ -427,33 +429,34 @@ def mcnp_wrap(text, maxchars=80, whitespace=' ', offset_all=True): text. """ - text = text.strip('\n') + text = text.strip("\n") if len(text) <= maxchars: if offset_all: - text = whitespace+text+'\n' + text = whitespace + text + "\n" else: - text = text+'\n' + text = text + "\n" return [text] else: # init the list with the first line - wrapped = textwrap.wrap(text, maxchars-len(whitespace)) + wrapped = textwrap.wrap(text, maxchars - len(whitespace)) # first line does not need whitespace if offset_all: - fl = whitespace+wrapped[0]+'\n' + fl = whitespace + wrapped[0] + "\n" else: - fl = wrapped[0]+'\n' + fl = wrapped[0] + "\n" lines = [fl] # add the white space for each line and a newline char for line in wrapped[1:]: - lines.append(whitespace+line+'\n') + lines.append(whitespace + line + "\n") return lines class D1S_Input(InputFile): - def translate(self, newlib, libmanager, original_irradfile=None, - original_reacfile=None): + def translate( + self, newlib, libmanager, original_irradfile=None, original_reacfile=None + ): """ Translate the input to another library. This methods ovverride the parent one since often two different libraries must be considered in @@ -505,7 +508,7 @@ def translate(self, newlib, libmanager, original_irradfile=None, available_daughters = original_irradfile.get_daughters() for reaction in reacfile.reactions: # strip the lib from the parent - parent = reaction.parent.split('.')[0] + parent = reaction.parent.split(".")[0] if reaction.daughter in available_daughters: # add the parent to the activation lib active_zaids.append(parent) @@ -525,9 +528,8 @@ def translate(self, newlib, libmanager, original_irradfile=None, for material in self.matlist: for submaterial in material.submaterials: for zaid in submaterial.zaidList: - zaidnum = zaid.element+zaid.isotope - if (zaidnum not in active_zaids and - zaidnum not in transp_zaids): + zaidnum = zaid.element + zaid.isotope + if zaidnum not in active_zaids and zaidnum not in transp_zaids: transp_zaids.append(zaidnum) newlib = {activationlib: active_zaids, transportlib: transp_zaids} @@ -553,12 +555,12 @@ def add_PIKMT_card(self, parent_list): None. """ - lines = ['PIKMT\n'] + lines = ["PIKMT\n"] for parent in parent_list: - lines.append(' {} {}\n'.format(parent, 0)) + lines.append(" {} {}\n".format(parent, 0)) card = par.Card(lines, 5, -1) - self.cards['settings'].append(card) + self.cards["settings"].append(card) def get_reaction_file(self, libmanager, lib): """ @@ -585,7 +587,7 @@ def get_reaction_file(self, libmanager, lib): for material in self.matlist: for submat in material.submaterials: for zaid in submat.zaidList: - parent = zaid.element+zaid.isotope + parent = zaid.element + zaid.isotope zaidreactions = libmanager.get_reactions(lib, parent) # if len(zaidreactions) > 0: # # it is a parent only if reactions are available @@ -599,18 +601,18 @@ def get_reaction_file(self, libmanager, lib): # --- Build the reactions and reaction file --- reaction_list = [] for parent, MT, daughter in reactions: - parent = parent+'.'+lib + parent = parent + "." + lib # Build a comment _, parent_formula = libmanager.get_zaidname(parent) _, daughter_formula = libmanager.get_zaidname(daughter) - comment = '{} -> {}'.format(parent_formula, daughter_formula) + comment = "{} -> {}".format(parent_formula, daughter_formula) rx = Reaction(parent, MT, daughter, comment=comment) reaction_list.append(rx) return ReactionFile(reaction_list) - def add_track_contribution(self, tallyID, zaids, who='parent'): + def add_track_contribution(self, tallyID, zaids, who="parent"): """ Given a list of zaid add the FU bin in the requested tallies in order to collect the contribution of them to the tally. @@ -636,51 +638,52 @@ def add_track_contribution(self, tallyID, zaids, who='parent'): return True if lines were added correctly """ - patnum = re.compile(r'\d+') + patnum = re.compile(r"\d+") try: num = patnum.search(tallyID).group() except AttributeError: # The pattern was not found - raise ValueError(tallyID+' is not a valid tally ID') + raise ValueError(tallyID + " is not a valid tally ID") - text = 'FU'+num+' 0' - if who == 'parent': + text = "FU" + num + " 0" + if who == "parent": for zaid in zaids: - text = text+' -'+zaid - elif who == 'daughter': + text = text + " -" + zaid + elif who == "daughter": for zaid in zaids: - text = text+' '+zaid + text = text + " " + zaid else: - raise ValueError(who+' is not an admissible "who" parameters') + raise ValueError(who + ' is not an admissible "who" parameters') - res = self.addlines2card(text, 'settings', tallyID, offset_all=False) + res = self.addlines2card(text, "settings", tallyID, offset_all=False) return res # class D1S5_InputFile(D1S_Input): - # Not different from the parent class anymore - # def add_stopCard(self, nps): - # """ - # STOP card is not supported in MCNP 5. This simply is translated to a - # nps card. +# Not different from the parent class anymore +# def add_stopCard(self, nps): +# """ +# STOP card is not supported in MCNP 5. This simply is translated to a +# nps card. - # Parameters - # ---------- - # nps : int - # number of particles to simulate +# Parameters +# ---------- +# nps : int +# number of particles to simulate - # Returns - # ------- - # None. +# Returns +# ------- +# None. - # """ - # if nps is None: - # raise ValueError(' NPS value is mandatory for MCNP 5 inputs') +# """ +# if nps is None: +# raise ValueError(' NPS value is mandatory for MCNP 5 inputs') + +# line = 'NPS '+str(int(nps))+'\n' +# card = par.Card([line], 5, -1) +# self.cards['settings'].append(card) - # line = 'NPS '+str(int(nps))+'\n' - # card = par.Card([line], 5, -1) - # self.cards['settings'].append(card) @contextmanager def suppress_stdout(): @@ -700,16 +703,17 @@ def check_transport_activation(lib): (e.g. 99c-31c). See additional details on the documentation. """ try: - activationlib = lib.split('-')[0] - transportlib = lib.split('-')[1] + activationlib = lib.split("-")[0] + transportlib = lib.split("-")[1] except IndexError: raise ValueError(errmsg) # Check that libraries have been correctly defined - if activationlib+'-'+transportlib != lib: + if activationlib + "-" + transportlib != lib: raise ValueError(errmsg) return activationlib, transportlib + class SerpentInputFile: def __init__(self, lines, matlist, name=None): """ @@ -732,7 +736,7 @@ def __init__(self, lines, matlist, name=None): # All cards from parser separated by the materials self.lines = lines - + # Materials list (see matreader.py) self.matlist = matlist @@ -742,27 +746,27 @@ def __init__(self, lines, matlist, name=None): @classmethod def from_text(cls, inputfile): """ - Reads input file into list. Removes trailing empty lines. + Reads input file into list. Removes trailing empty lines. Parameters ---------- cls : 'SerpentInputFile' - The class itself. + The class itself. inputfile : path like object path to the Serpent input file. Returns ------- - SerpentInputFile instance with data from the input file. + SerpentInputFile instance with data from the input file. """ - with open(inputfile, 'r') as f: + with open(inputfile, "r") as f: lines = f.readlines() # Remove trailing empty lines idx = len(lines) - 1 while True: - if lines[idx].strip() == '': + if lines[idx].strip() == "": del lines[idx] idx -= 1 else: @@ -770,8 +774,7 @@ def from_text(cls, inputfile): matlist = None - return cls(lines, matlist, - name=os.path.basename(inputfile).split('.')[0]) + return cls(lines, matlist, name=os.path.basename(inputfile).split(".")[0]) def add_stopCard(self, nps: int) -> None: """Add number of particles card @@ -781,7 +784,7 @@ def add_stopCard(self, nps: int) -> None: nps : int number of particles to simulate """ - self.lines.append('\nset nps '+str(int(nps))+'\n') + self.lines.append("\nset nps " + str(int(nps)) + "\n") def _to_text(self) -> str: """ @@ -795,15 +798,14 @@ def _to_text(self) -> str: # Add materials self.lines.append(self.matlist.to_text()) - self.lines.append('\n') # Missing + self.lines.append("\n") # Missing - toprint = '' + toprint = "" for line in self.lines: - toprint = toprint+line + toprint = toprint + line return toprint - def write(self, out) -> None: """ Write the input to a file @@ -820,36 +822,37 @@ def write(self, out) -> None: """ to_print = self._to_text() - with open(out, 'w') as outfile: + with open(out, "w") as outfile: outfile.write(to_print) + class OpenMCInputFiles: def __init__(self, geometry, settings, tallies, materials, matlist, name=None): """Object representing an OpenMC input file. Parameters ---------- - geometry : List[str], optional + geometry : List[str], optional OpenMC geometry - settings : List[str], optional + settings : List[str], optional OpenMC settings - tallies : List[str], optional + tallies : List[str], optional OpenMC tallies - materials : List[str], optional + materials : List[str], optional OpenMC materials - matlist : List[str], optional + matlist : List[str], optional material list in the input name : str, optional name associated with the file, by default None """ - + # Geometry, settings and tallies for OpenMC self.geometry = geometry self.settings = settings self.tallies = tallies # Temporary material holder until matlist supports openmc mats self.materials = materials - + # Materials list (see matreader.py) self.matlist = matlist @@ -868,17 +871,17 @@ def _get_lines(self, path: str): Returns ------- Optional[List[str]] - List of lines from the file or none if file not found. + List of lines from the file or none if file not found. """ if os.path.exists(path): - with open(path, 'r') as f: + with open(path, "r") as f: lines = f.readlines() else: lines = None - return lines - + return lines + @classmethod - def from_path(cls, path: str) -> 'OpenMCInputFiles': + def from_path(cls, path: str) -> "OpenMCInputFiles": """Reads contents of geometry, settings, tallies, materials from XML files. Parameters @@ -892,16 +895,16 @@ def from_path(cls, path: str) -> 'OpenMCInputFiles': Intance of class initialised with data from XML files. """ - geometry_file = os.path.join(path, 'geometry.xml') + geometry_file = os.path.join(path, "geometry.xml") geometry = cls._get_lines(cls, geometry_file) - settings_file = os.path.join(path, 'settings.xml') + settings_file = os.path.join(path, "settings.xml") settings = cls._get_lines(cls, settings_file) - tallies_file = os.path.join(path, 'tallies.xml') + tallies_file = os.path.join(path, "tallies.xml") tallies = cls._get_lines(cls, tallies_file) - materials_file = os.path.join(path, 'materials.xml') + materials_file = os.path.join(path, "materials.xml") materials = cls._get_lines(cls, materials_file) matlist = None @@ -911,7 +914,7 @@ def from_path(cls, path: str) -> 'OpenMCInputFiles': return cls(geometry, settings, tallies, materials, matlist, name=name) def add_stopCard(self, nps: int) -> None: - """Add number of particles to simulate + """Add number of particles to simulate Parameters ---------- @@ -919,12 +922,12 @@ def add_stopCard(self, nps: int) -> None: number of particles to simulate """ for i, line in enumerate(self.settings): - if '' in line: - batches_line = ' 100\n' - self.settings.insert(i+1, batches_line) - particles = int(nps/100) - particles_line = ' '+str(particles)+'\n' - self.settings.insert(i+1, particles_line) + if "" in line: + batches_line = " 100\n" + self.settings.insert(i + 1, batches_line) + particles = int(nps / 100) + particles_line = " " + str(particles) + "\n" + self.settings.insert(i + 1, particles_line) break def _to_xml(self, libmanager) -> tuple: @@ -944,17 +947,17 @@ def _to_xml(self, libmanager) -> tuple: # Add materials self.materials = self.matlist.to_xml(libmanager) - geometry = '' + geometry = "" for line in self.geometry: - geometry = geometry+line - - settings = '' + geometry = geometry + line + + settings = "" for line in self.settings: - settings = settings+line + settings = settings + line - tallies = '' + tallies = "" for line in self.tallies: - tallies = tallies+line + tallies = tallies + line materials = self.materials @@ -976,18 +979,18 @@ def write(self, path, libmanager) -> None: """ geometry, settings, tallies, materials = self._to_xml(libmanager) - geometry_file = os.path.join(path, 'geometry.xml') - with open(geometry_file, 'w') as outfile: + geometry_file = os.path.join(path, "geometry.xml") + with open(geometry_file, "w") as outfile: outfile.write(geometry) - settings_file = os.path.join(path, 'settings.xml') - with open(settings_file, 'w') as outfile: + settings_file = os.path.join(path, "settings.xml") + with open(settings_file, "w") as outfile: outfile.write(settings) - tallies_file = os.path.join(path, 'tallies.xml') - with open(tallies_file, 'w') as outfile: + tallies_file = os.path.join(path, "tallies.xml") + with open(tallies_file, "w") as outfile: outfile.write(tallies) - materials_file = os.path.join(path, 'materials.xml') - with open(materials_file, 'w') as outfile: + materials_file = os.path.join(path, "materials.xml") + with open(materials_file, "w") as outfile: outfile.write(materials) diff --git a/jade/libmanager.py b/jade/libmanager.py index f7d01e53..cd758aab 100644 --- a/jade/libmanager.py +++ b/jade/libmanager.py @@ -24,18 +24,19 @@ from __future__ import annotations import json +import logging import os import re import sys -import logging import warnings + import numpy as np +import pandas as pd import jade.acepyne as ace import jade.xsdirpyne as xs -import pandas as pd -from jade.xsdirpyne import OpenMCXsdir, SerpentXsdir, Xsdir from jade.exceptions import fatal_exception +from jade.xsdirpyne import OpenMCXsdir, SerpentXsdir, Xsdir # colors CRED = "\033[91m" diff --git a/jade/main.py b/jade/main.py index 07c8b1aa..0d97e463 100644 --- a/jade/main.py +++ b/jade/main.py @@ -22,16 +22,18 @@ along with JADE. If not, see . """ from __future__ import annotations -import jade.gui as gui -import jade.configuration as cnf -import jade.libmanager as libmanager -from jade.exceptions import fatal_exception + import os -import jade.status as status -import warnings -import time import shutil import sys +import time +import warnings + +import jade.configuration as cnf +import jade.gui as gui +import jade.libmanager as libmanager +import jade.status as status +from jade.exceptions import fatal_exception # Long messages FIRST_INITIALIZATION = """ diff --git a/jade/matreader.py b/jade/matreader.py index 7da3529f..38cb3862 100644 --- a/jade/matreader.py +++ b/jade/matreader.py @@ -34,7 +34,6 @@ from decimal import Decimal import pandas as pd - from numjuggler import parser as par # ------------------------------------- @@ -490,15 +489,15 @@ def to_xml(self, libmanager, material) -> None: The XML tree where the material content will be added. """ - #matid = id - #matname = str(self.name) - #matdensity = str(abs(density)) - #if density < 0: + # matid = id + # matname = str(self.name) + # matdensity = str(abs(density)) + # if density < 0: # density_units = "g/cc" - #else: + # else: # density_units = "atom/b-cm" - #submaterial = ET.SubElement(material_tree, "material", id=matid, name=matname) - #ET.SubElement(submaterial, "density", value=matdensity, units=density_units) + # submaterial = ET.SubElement(material_tree, "material", id=matid, name=matname) + # ET.SubElement(submaterial, "density", value=matdensity, units=density_units) if self.elements is not None: for elem in self.elements: for zaid in elem.zaids: diff --git a/jade/meshtal.py b/jade/meshtal.py index af9e00a6..d256e2ae 100644 --- a/jade/meshtal.py +++ b/jade/meshtal.py @@ -23,19 +23,19 @@ """ import os import re + import pandas as pd # PATTERNS -PAT_NUM = re.compile(r'(?<=Mesh Tally Number)\s+\d+') # blank spaces to be elim -PAT_DESC = re.compile(r'(?<=FMESH\s).+') # get the tally name -PAT_CYLYNDER = re.compile(r'\sR\s+Z\s') # Start of a cylyndrical tally -PAT_PARTICLE = re.compile(r'(?=. -import jade.MCTAL_READER2 as mtal +import abc +import os +import pickle +import shutil +import string +import sys +import numpy as np # import xlwings as xw import pandas as pd -import os -import shutil -import jade.plotter as plotter -import jade.excelsupport as exsupp from tqdm import tqdm + import jade.atlas as at -import numpy as np -import string -from jade.outputFile import OutputFile +import jade.excelsupport as exsupp +import jade.MCTAL_READER2 as mtal +import jade.plotter as plotter from jade.meshtal import Meshtal -import pickle -import sys -import abc +from jade.outputFile import OutputFile # RED color CRED = "\033[91m" @@ -201,9 +202,9 @@ def __init__(self, lib, config, session): shutil.rmtree(out) os.mkdir(out) if self.mcnp: - excel_path_mcnp = os.path.join(out, "mcnp" ,"Excel") - atlas_path_mcnp = os.path.join(out, "mcnp" ,"Atlas") - raw_path_mcnp = os.path.join(out, "mcnp" ,"Raw_Data") + excel_path_mcnp = os.path.join(out, "mcnp", "Excel") + atlas_path_mcnp = os.path.join(out, "mcnp", "Atlas") + raw_path_mcnp = os.path.join(out, "mcnp", "Raw_Data") os.makedirs(excel_path_mcnp) os.makedirs(atlas_path_mcnp) os.makedirs(raw_path_mcnp) @@ -211,9 +212,9 @@ def __init__(self, lib, config, session): self.raw_path_mcnp = raw_path_mcnp self.atlas_path_mcnp = atlas_path_mcnp if self.openmc: - excel_path_openmc = os.path.join(out, "openmc" ,"Excel") - atlas_path_openmc = os.path.join(out, "openmc" ,"Atlas") - raw_path_openmc = os.path.join(out, "openmc" ,"Raw_Data") + excel_path_openmc = os.path.join(out, "openmc", "Excel") + atlas_path_openmc = os.path.join(out, "openmc", "Atlas") + raw_path_openmc = os.path.join(out, "openmc", "Raw_Data") os.makedirs(excel_path_openmc) os.makedirs(atlas_path_openmc) os.makedirs(raw_path_openmc) @@ -221,9 +222,9 @@ def __init__(self, lib, config, session): self.raw_path_openmc = raw_path_openmc self.atlas_path_openmc = atlas_path_openmc if self.serpent: - excel_path_serpent = os.path.join(out, "serpent" ,"Excel") - atlas_path_serpent = os.path.join(out, "serpent" ,"Atlas") - raw_path_serpent = os.path.join(out, "serpent" ,"Raw_Data") + excel_path_serpent = os.path.join(out, "serpent", "Excel") + atlas_path_serpent = os.path.join(out, "serpent", "Atlas") + raw_path_serpent = os.path.join(out, "serpent", "Raw_Data") os.makedirs(excel_path_serpent) os.makedirs(atlas_path_serpent) os.makedirs(raw_path_serpent) @@ -231,9 +232,9 @@ def __init__(self, lib, config, session): self.raw_path_serpent = raw_path_serpent self.atlas_path_serpent = atlas_path_serpent if self.d1s: - excel_path_d1s = os.path.join(out, "d1s" ,"Excel") - atlas_path_d1s = os.path.join(out, "d1s" ,"Atlas") - raw_path_d1s = os.path.join(out, "d1s" ,"Raw_Data") + excel_path_d1s = os.path.join(out, "d1s", "Excel") + atlas_path_d1s = os.path.join(out, "d1s", "Atlas") + raw_path_d1s = os.path.join(out, "d1s", "Raw_Data") os.makedirs(excel_path_d1s) os.makedirs(atlas_path_d1s) os.makedirs(raw_path_d1s) @@ -261,9 +262,9 @@ def __init__(self, lib, config, session): shutil.rmtree(out) os.mkdir(out) if self.mcnp: - excel_path_mcnp = os.path.join(out, "mcnp" ,"Excel") - atlas_path_mcnp = os.path.join(out, "mcnp" ,"Atlas") - raw_path_mcnp = os.path.join(out, "mcnp" ,"Raw_Data") + excel_path_mcnp = os.path.join(out, "mcnp", "Excel") + atlas_path_mcnp = os.path.join(out, "mcnp", "Atlas") + raw_path_mcnp = os.path.join(out, "mcnp", "Raw_Data") os.makedirs(excel_path_mcnp) os.makedirs(atlas_path_mcnp) os.makedirs(raw_path_mcnp) @@ -271,9 +272,9 @@ def __init__(self, lib, config, session): self.raw_path_mcnp = raw_path_mcnp self.atlas_path_mcnp = atlas_path_mcnp if self.openmc: - excel_path_openmc = os.path.join(out, "openmc" ,"Excel") - atlas_path_openmc = os.path.join(out, "openmc" ,"Atlas") - raw_path_openmc = os.path.join(out, "openmc" ,"Raw_Data") + excel_path_openmc = os.path.join(out, "openmc", "Excel") + atlas_path_openmc = os.path.join(out, "openmc", "Atlas") + raw_path_openmc = os.path.join(out, "openmc", "Raw_Data") os.makedirs(excel_path_openmc) os.makedirs(atlas_path_openmc) os.makedirs(raw_path_openmc) @@ -281,9 +282,9 @@ def __init__(self, lib, config, session): self.raw_path_openmc = raw_path_openmc self.atlas_path_openmc = atlas_path_openmc if self.serpent: - excel_path_serpent = os.path.join(out, "serpent" ,"Excel") - atlas_path_serpent = os.path.join(out, "serpent" ,"Atlas") - raw_path_serpent = os.path.join(out, "serpent" ,"Raw_Data") + excel_path_serpent = os.path.join(out, "serpent", "Excel") + atlas_path_serpent = os.path.join(out, "serpent", "Atlas") + raw_path_serpent = os.path.join(out, "serpent", "Raw_Data") os.makedirs(excel_path_serpent) os.makedirs(atlas_path_serpent) os.makedirs(raw_path_serpent) @@ -291,9 +292,9 @@ def __init__(self, lib, config, session): self.raw_path_serpent = raw_path_serpent self.atlas_path_serpent = atlas_path_serpent if self.d1s: - excel_path_d1s = os.path.join(out, "d1s" ,"Excel") - atlas_path_d1s = os.path.join(out, "d1s" ,"Atlas") - raw_path_d1s = os.path.join(out, "d1s" ,"Raw_Data") + excel_path_d1s = os.path.join(out, "d1s", "Excel") + atlas_path_d1s = os.path.join(out, "d1s", "Atlas") + raw_path_d1s = os.path.join(out, "d1s", "Raw_Data") os.makedirs(excel_path_d1s) os.makedirs(atlas_path_d1s) os.makedirs(raw_path_d1s) @@ -390,11 +391,7 @@ def single_postprocess(self): error = err_df["Error"] lib_name = self.session.conf.get_lib_name(self.lib) - lib = { - "x": x, - "y": values, - "err": error, - "ylabel": lib_name} + lib = {"x": x, "y": values, "err": error, "ylabel": lib_name} data = [lib] outname = "tmp" @@ -449,9 +446,11 @@ def compare(self): if self.mcnp: out_path = os.path.join( self.session.path_single, - lib, self.testname, - "mcnp", "Raw_Data", - lib + ".pickle" + lib, + self.testname, + "mcnp", + "Raw_Data", + lib + ".pickle", ) with open(out_path, "rb") as handle: outputs = pickle.load(handle) @@ -588,14 +587,14 @@ def _generate_single_excel_output(self): ex_cnf.set_index("Tally", inplace=True) # Open the excel file - #name = "Generic_single.xlsx" - #template = os.path.join(os.getcwd(), "templates", name) + # name = "Generic_single.xlsx" + # template = os.path.join(os.getcwd(), "templates", name) if self.mcnp: outpath = os.path.join( self.excel_path_mcnp, self.testname + "_" + self.lib + ".xlsx" ) outputs = {} - #ex = ExcelOutputSheet(template, outpath) + # ex = ExcelOutputSheet(template, outpath) # Get results # results = [] # errors = [] @@ -617,7 +616,6 @@ def _generate_single_excel_output(self): self.raw_data = mcnp_output.tallydata # res, err = output.get_single_excel_data() - for label in ["Value", "Error"]: # keys = {} @@ -630,9 +628,10 @@ def _generate_single_excel_output(self): tally_settings = ex_cnf.loc[num] except KeyError: print( - " Warning!: tally n." + - str(num) + - " is not in configuration") + " Warning!: tally n." + + str(num) + + " is not in configuration" + ) continue # Re-Elaborate tdata Dataframe @@ -673,7 +672,8 @@ def _generate_single_excel_output(self): try: main_value_df = pd.DataFrame( - rows, columns=y_set, index=x_set) + rows, columns=y_set, index=x_set + ) main_value_df.index.name = x_name except ValueError: print( @@ -687,7 +687,7 @@ def _generate_single_excel_output(self): + CEND ) # Safely exit from excel and from application - #ex.save() + # ex.save() sys.exit() # reorder index (quick reset of the index) @@ -697,7 +697,7 @@ def _generate_single_excel_output(self): # memorize for atlas outputs[num][label] = main_value_df # insert the df in pieces - #ex.insert_cutted_df( + # ex.insert_cutted_df( # "B", # main_value_df, # label + "s", @@ -706,7 +706,7 @@ def _generate_single_excel_output(self): # index_name=x_tag, # cols_name=y_tag, # index_num_format=idx_format, - #) + # ) else: # reorder df try: @@ -722,7 +722,7 @@ def _generate_single_excel_output(self): + CEND ) # Safely exit from excel and from application - #ex.save() + # ex.save() sys.exit() if label == "Value": @@ -734,13 +734,13 @@ def _generate_single_excel_output(self): outputs[num][label] = tdata # Insert DF - #ex.insert_df( + # ex.insert_df( # "B", # tdata, # label + "s", # print_index=True, # header=(key, "Tally n." + str(num)), - #) + # ) # memorize data for atlas self.outputs["mcnp"] = outputs # print(outputs) @@ -750,13 +750,13 @@ def _generate_single_excel_output(self): pickle.dump(outputs, outfile) # Compile general infos in the sheet - #ws = ex.current_ws - #title = self.testname + " RESULTS RECAP: " + label + "s" - #ws.range("A3").value = title - #ws.range("C1").value = self.lib + # ws = ex.current_ws + # title = self.testname + " RESULTS RECAP: " + label + "s" + # ws.range("A3").value = title + # ws.range("C1").value = self.lib # --- Compile statistical checks sheet --- - #ws = ex.wb.sheets["Statistical Checks"] + # ws = ex.wb.sheets["Statistical Checks"] dic_checks = mcnp_output.out.stat_checks rows = [] @@ -772,13 +772,15 @@ def _generate_single_excel_output(self): stats = pd.DataFrame(rows) stats.columns = ["Tally Number", "Tally Description", "Result"] - #ws.range("A9").options(index=False, header=False).value = df + # ws.range("A9").options(index=False, header=False).value = df - #ex.save() - exsupp.single_excel_writer(self, outpath, self.lib, self.testname, outputs, stats) + # ex.save() + exsupp.single_excel_writer( + self, outpath, self.lib, self.testname, outputs, stats + ) def _print_raw(self): - if self.mcnp: + if self.mcnp: for key, data in self.raw_data.items(): file = os.path.join(self.raw_path_mcnp, str(key) + ".csv") data.to_csv(file, header=True, index=False) @@ -793,14 +795,13 @@ def _generate_comparison_excel_output(self): ex_cnf.set_index("Tally", inplace=True) # Open the excel file - #name_tag = "Generic_comparison.xlsx" - #template = os.path.join(os.getcwd(), "templates", name_tag) + # name_tag = "Generic_comparison.xlsx" + # template = os.path.join(os.getcwd(), "templates", name_tag) - if self.mcnp: mcnp_outputs = {} comps = {} - abs_diffs = {} + abs_diffs = {} std_devs = {} for reflib, tarlib, name in self.couples: lib_to_comp = name @@ -809,10 +810,10 @@ def _generate_comparison_excel_output(self): outfolder_path, "Comparison_" + name + "_mcnp.xlsx" ) - #ex = ExcelOutputSheet(template, outpath) + # ex = ExcelOutputSheet(template, outpath) # Get results - #for lib in to_read: + # for lib in to_read: # results_path = self.test_path[lib] for lib, results_path in { reflib: os.path.join(self.test_path[reflib], "mcnp"), @@ -826,12 +827,11 @@ def _generate_comparison_excel_output(self): if file[-1] == "m": mfile = os.path.join(results_path, file) elif file[-1] == "o": - ofile = os.path.join(results_path, file) + ofile = os.path.join(results_path, file) elif file[-4:] == "msht": meshtalfile = os.path.join(results_path, file) # Parse output - mcnp_output = MCNPoutput( - mfile, ofile, meshtal_file=meshtalfile) + mcnp_output = MCNPoutput(mfile, ofile, meshtal_file=meshtalfile) mcnp_outputs[lib] = mcnp_output # Build the comparison for label in ["Value", "Error"]: @@ -846,9 +846,10 @@ def _generate_comparison_excel_output(self): tally_settings = ex_cnf.loc[num] except KeyError: print( - " Warning!: tally n." + - str(num) + - " is not in configuration") + " Warning!: tally n." + + str(num) + + " is not in configuration" + ) continue # Re-Elaborate tdata Dataframe @@ -862,7 +863,6 @@ def _generate_comparison_excel_output(self): for dic in [comps, abs_diffs, std_devs]: dic[num] = {"title": key, "x_label": x_tag} - if x_name == "Energy": idx_format = "0.00E+00" # TODO all possible cases should be addressed @@ -885,8 +885,8 @@ def _generate_comparison_excel_output(self): # !!! True divide warnings are suppressed !!! with np.errstate(divide="ignore", invalid="ignore"): row_fin = (ref - tar) / ref - row_abs_diff = (ref - tar) - row_std_dev = row_abs_diff / (ref_err*ref) + row_abs_diff = ref - tar + row_std_dev = row_abs_diff / (ref_err * ref) prev_len = len(ref) except AttributeError: # This is raised when total values are @@ -901,18 +901,21 @@ def _generate_comparison_excel_output(self): row_std_dev.append(np.nan) row_fin.append((ref - tar) / ref) row_abs_diff.append(ref - tar) - row_std_dev.append((ref - tar)/(ref_err*ref)) + row_std_dev.append((ref - tar) / (ref_err * ref)) rows_fin.append(row_fin) rows_abs_diff.append(row_abs_diff) rows_std_dev.append(row_std_dev) try: final = pd.DataFrame( - rows_fin, columns=y_set, index=x_set) + rows_fin, columns=y_set, index=x_set + ) abs_diff = pd.DataFrame( - rows_abs_diff, columns=y_set, index=x_set) + rows_abs_diff, columns=y_set, index=x_set + ) std_dev = pd.DataFrame( - rows_std_dev, columns=y_set, index=x_set) + rows_std_dev, columns=y_set, index=x_set + ) for df in [final, abs_diff, std_dev]: df.index.name = x_name df.replace(np.nan, "Not Available", inplace=True) @@ -942,7 +945,7 @@ def _generate_comparison_excel_output(self): abs_diffs[num][label] = abs_diff std_devs[num][label] = std_dev # insert the df in pieces - #ex.insert_cutted_df( + # ex.insert_cutted_df( # "B", # main_value_df, # "Comparison", @@ -952,7 +955,7 @@ def _generate_comparison_excel_output(self): # cols_name=y_tag, # index_num_format=idx_format, # values_format="0.00%", - #) + # ) else: # reorder dfs try: @@ -980,38 +983,46 @@ def _generate_comparison_excel_output(self): # !!! True divide warnings are suppressed !!! with np.errstate(divide="ignore", invalid="ignore"): comp_df = (tdata_ref - tdata_tar) / tdata_ref - abs_diff_df = (tdata_ref - tdata_tar) + abs_diff_df = tdata_ref - tdata_tar std_dev_df = abs_diff_df comps[num][label] = comp_df abs_diffs[num][label] = abs_diff_df std_devs[num][label] = abs_diff_df # Insert DF - #ex.insert_df( + # ex.insert_df( # "B", # df, # "Comparison", # print_index=True, # header=(key, "Tally n." + str(num)), # values_format="0.00%", - #) + # ) # Compile general infos in the sheet - #ws = ex.current_ws - #title = self.testname + " RESULTS RECAP: Comparison" - #ws.range("A3").value = title - #ws.range("C1").value = tarlib + " Vs " + reflib + # ws = ex.current_ws + # title = self.testname + " RESULTS RECAP: Comparison" + # ws.range("A3").value = title + # ws.range("C1").value = tarlib + " Vs " + reflib # Add single pp sheets - #for lib in [reflib, tarlib]: + # for lib in [reflib, tarlib]: # cp = self.state.get_path( # "single", [lib, self.testname, "Excel"]) # file = os.listdir(cp)[0] # cp = os.path.join(cp, file) # ex.copy_sheets(cp) - #ex.save() + # ex.save() self.outputs["mcnp"] = comps - exsupp.comp_excel_writer(self, outpath, lib_to_comp, self.testname, comps, abs_diffs, std_devs) + exsupp.comp_excel_writer( + self, + outpath, + lib_to_comp, + self.testname, + comps, + abs_diffs, + std_devs, + ) class MCNPoutput: @@ -1125,10 +1136,8 @@ def organize_mctal(self): for m in range(nMul): # (unused) for c, cn in enumerate(binnings["cosine"]): for e, en in enumerate(binnings["energy"]): - for nt, ntn in enumerate( - binnings["time"]): - for k, kn in enumerate( - binnings["cor C"]): + for nt, ntn in enumerate(binnings["time"]): + for k, kn in enumerate(binnings["cor C"]): for j, jn in enumerate( binnings["cor B"] ): @@ -1185,28 +1194,33 @@ def organize_mctal(self): val = t.getValue(f, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, 0) err = t.getValue(f, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, 1) if t.timTC is not None: - rows.append([fn, d, un, sn, m, cn, en, - "total", ina, jn, kn, val, err]) + rows.append( + [fn, d, un, sn, m, cn, en, "total", ina, jn, kn, val, err] + ) total = "Time" elif t.ergTC is not None: - rows.append([fn, d, un, sn, m, cn, "total", - ntn, ina, jn, kn, val, err]) + rows.append( + [fn, d, un, sn, m, cn, "total", ntn, ina, jn, kn, val, err] + ) total = "Energy" elif t.segTC is not None: - rows.append([fn, d, un, "total", m, cn, en, - ntn, ina, jn, kn, val, err]) + rows.append( + [fn, d, un, "total", m, cn, en, ntn, ina, jn, kn, val, err] + ) total = "Segments" elif t.cosTC is not None: - rows.append([fn, d, un, sn, m, "total", en, - ntn, ina, jn, kn, val, err]) + rows.append( + [fn, d, un, sn, m, "total", en, ntn, ina, jn, kn, val, err] + ) total = "Cosine" elif t.usrTC is not None: - rows.append([fn, d, "total", sn, m, cn, en, - ntn, ina, jn, kn, val, err]) + rows.append( + [fn, d, "total", sn, m, cn, en, ntn, ina, jn, kn, val, err] + ) total = "User" # --- Build the tally DataFrame --- @@ -1253,8 +1267,7 @@ def organize_mctal(self): # the additional segmentation can be quite useful and this can be # collapsed de facto in a single geometrical binning - if "Cells" in df.columns and "Segments" in df.columns and len( - df) > 1: + if "Cells" in df.columns and "Segments" in df.columns and len(df) > 1: # Then we can collapse this in a single geometrical binning values = [] for cell, segment in zip(df.Cells, df.Segments): @@ -1336,7 +1349,8 @@ def process_tally(self): if "tally" in line.lower(): if len(rows) > 0: tallydata[tallynum], totalbin[tallynum] = self._create_dataframe( - rows) + rows + ) rows = [] parts = line.split() tallynum = int(parts[2].replace(":", "")) @@ -1372,8 +1386,7 @@ def process_tally(self): error, ] ) - tallydata[tallynum], totalbin[tallynum] = self._create_dataframe( - rows) + tallydata[tallynum], totalbin[tallynum] = self._create_dataframe(rows) return tallydata, totalbin @@ -1500,8 +1513,7 @@ def insert_df( try: ws.range(anchor).options(index=print_index, header=True).value = df - rng = ((startrow + 1, startcolumn), - (startrow + 1 + len(df), startcolumn)) + rng = ((startrow + 1, startcolumn), (startrow + 1 + len(df), startcolumn)) # Format values if requested if values_format is not None: rng_values = ( @@ -1513,8 +1525,7 @@ def insert_df( # Formatting ws.range(*rng).number_format = idx_format # idx formatting # Columns headers - anchor_columns = ( - anchor, (startrow, startcolumn + len(df.columns))) + anchor_columns = (anchor, (startrow, startcolumn + len(df.columns))) ws.range(*anchor_columns).api.Font.Size = cols_head_size ws.range(*anchor_columns).api.Font.Bold = True ws.range(*anchor_columns).color = (236, 236, 236) diff --git a/jade/outputFile.py b/jade/outputFile.py index ce97a90a..6b67e2a3 100644 --- a/jade/outputFile.py +++ b/jade/outputFile.py @@ -60,17 +60,17 @@ def _get_statistical_checks(self): """ # Some global key words and patterns - start_stat_check = 'result of statistical checks' - miss = 'missed' - passed = 'passed' - allzero = 'no nonzero' - pat_tnumber = re.compile('\s*\t*\s*\d+') - end = 'the 10 statistical checks are only' + start_stat_check = "result of statistical checks" + miss = "missed" + passed = "passed" + allzero = "no nonzero" + pat_tnumber = re.compile("\s*\t*\s*\d+") + end = "the 10 statistical checks are only" # Recover statistical checks statcheck_flag = False stat_checks = {} - with open(self.path, 'r') as infile: + with open(self.path, "r") as infile: for line in infile: if line.find(start_stat_check) != -1: statcheck_flag = True @@ -81,14 +81,13 @@ def _get_statistical_checks(self): if tallycheck is not None: tnumber = int(tallycheck.group()) if line.find(miss) != -1: - result = 'Missed' + result = "Missed" elif line.find(passed) != -1: - result = 'Passed' + result = "Passed" elif line.find(allzero) != -1: - result = 'All zeros' + result = "All zeros" else: - print('Warning: tally n.'+str(tnumber) + - ' not retrieved') + print("Warning: tally n." + str(tnumber) + " not retrieved") stat_checks[tnumber] = result @@ -124,9 +123,9 @@ def assign_tally_description(self, tallylist, warning=False): tdescr = tally.tallyComment[0] except IndexError: if warning: - print(' WARNING: No description t. '+str(tnumber)) - tdescr = '' - newkey = tdescr+' ['+str(tnumber)+']' + print(" WARNING: No description t. " + str(tnumber)) + tdescr = "" + newkey = tdescr + " [" + str(tnumber) + "]" new_stat_check[newkey] = result self.stat_checks = new_stat_check diff --git a/jade/parsersD1S.py b/jade/parsersD1S.py index c2addfd0..eb8df6c7 100644 --- a/jade/parsersD1S.py +++ b/jade/parsersD1S.py @@ -20,24 +20,25 @@ # You should have received a copy of the GNU General Public License # along with JADE. If not, see . -import re import os +import re -PAT_BLANK = re.compile(r'[\s\tCc]*\n') -PAT_COMMENT = re.compile('[Cc]+') -PAT_SPACE = re.compile(r'[\s\t]+') -REACFORMAT = '{:>13s}{:>7s}{:>9s}{:>40s}' +PAT_BLANK = re.compile(r"[\s\tCc]*\n") +PAT_COMMENT = re.compile("[Cc]+") +PAT_SPACE = re.compile(r"[\s\t]+") +REACFORMAT = "{:>13s}{:>7s}{:>9s}{:>40s}" # colors -CRED = '\033[91m' -CORANGE = '\033[93m' -CEND = '\033[0m' +CRED = "\033[91m" +CORANGE = "\033[93m" +CEND = "\033[0m" class IrradiationFile: - def __init__(self, nsc, irr_schedules, header=None, - formatting=[8, 14, 13, 9], name='irrad'): + def __init__( + self, nsc, irr_schedules, header=None, formatting=[8, 14, 13, 9], name="irrad" + ): """ Object representing an irradiation D1S file @@ -70,11 +71,11 @@ def __init__(self, nsc, irr_schedules, header=None, w3 = str(formatting[2]) w4 = str(formatting[3]) - head = '{:>'+w1+'s}{:>'+w2+'s}{:>' + head = "{:>" + w1 + "s}{:>" + w2 + "s}{:>" for i in range(nsc): - head += w3+'s}{:>' + head += w3 + "s}{:>" - head += w4+'s}' + head += w4 + "s}" self.irrformat = head self.name = name @@ -135,12 +136,12 @@ def from_text(cls, filepath): None. """ - pat_nsc = re.compile('(?i)(nsc)') - pat_num = re.compile(r'\d+') + pat_nsc = re.compile("(?i)(nsc)") + pat_num = re.compile(r"\d+") # name = os.path.basename(filepath) - with open(filepath, 'r') as infile: + with open(filepath, "r") as infile: inheader = True - header = '' + header = "" irr_schedules = [] for line in infile: # check if we need to exit header mode @@ -154,8 +155,10 @@ def from_text(cls, filepath): # data else: # Avoid comments and blank lines - if (PAT_BLANK.match(line) is None and - PAT_COMMENT.match(line) is None): + if ( + PAT_BLANK.match(line) is None + and PAT_COMMENT.match(line) is None + ): irr_schedules.append(Irradiation.from_text(line, nsc)) @@ -176,24 +179,24 @@ def write(self, path): """ filepath = os.path.join(path, self.name) - with open(filepath, 'w') as outfile: + with open(filepath, "w") as outfile: if self.header is not None: outfile.write(self.header) # write nsc - outfile.write('nsc '+str(self.nsc)+'\n') + outfile.write("nsc " + str(self.nsc) + "\n") # --- Write irradiation schedules --- # write header - args = ['Daught.', 'lambda(1/s)'] + args = ["Daught.", "lambda(1/s)"] for i in range(self.nsc): - args.append('time_fact_'+str(i+1)) - args.append('comments') - outfile.write('C '+self.irrformat.format(*args)+'\n') + args.append("time_fact_" + str(i + 1)) + args.append("comments") + outfile.write("C " + self.irrformat.format(*args) + "\n") # write schedules for schedule in self.irr_schedules: args = schedule._get_format_args() - outfile.write(self.irrformat.format(*args)+'\n') + outfile.write(self.irrformat.format(*args) + "\n") class Irradiation: @@ -239,7 +242,7 @@ def __eq__(self, other): else: times_eq = False - condition = (daugther_eq and lamb_eq and times_eq) + condition = daugther_eq and lamb_eq and times_eq return condition else: @@ -267,7 +270,7 @@ def from_text(cls, text, nsc): """ pieces = PAT_SPACE.split(text) # Check for empty start - if pieces[0] == '': + if pieces[0] == "": pieces.pop(0) daughter = pieces[0] @@ -279,14 +282,14 @@ def from_text(cls, text, nsc): times.append(pieces[j]) j += 1 # Get comment - comment = '' + comment = "" try: for piece in pieces[j:]: - comment += ' '+piece + comment += " " + piece except IndexError: comment = None - if comment == '': + if comment == "": comment = None else: comment = comment.strip() @@ -302,7 +305,7 @@ def _get_format_args(self): class ReactionFile: - def __init__(self, reactions, name='react'): + def __init__(self, reactions, name="react"): """ Reaction file object @@ -341,11 +344,10 @@ def from_text(cls, filepath): """ # read all reactions reactions = [] - with open(filepath, 'r') as infile: + with open(filepath, "r") as infile: for line in infile: # Ignore if it is a blank line or a full line comment - if (PAT_BLANK.match(line) is None and - PAT_COMMENT.match(line) is None): + if PAT_BLANK.match(line) is None and PAT_COMMENT.match(line) is None: # parse reactions reaction = Reaction.from_text(line) reactions.append(reaction) @@ -363,7 +365,7 @@ def get_parents(self): """ parents = [] for reaction in self.reactions: - parent = reaction.parent.split('.')[0] + parent = reaction.parent.split(".")[0] if parent not in parents: parents.append(parent) return parents @@ -389,7 +391,7 @@ def change_lib(self, newlib, libmanager=None): # Correctly parse the lib input. It may be a dic than only the # first dic value needs to be cosidered pat_libs = re.compile(r'"\d\d[a-zA-Z]"') - if newlib[0] == '{': + if newlib[0] == "{": libs = pat_libs.findall(newlib) lib = libs[1][1:-1] else: @@ -402,14 +404,20 @@ def change_lib(self, newlib, libmanager=None): reaction.change_lib(lib) else: # get the available libraries for the parent - zaid = reaction.parent.split('.')[0] + zaid = reaction.parent.split(".")[0] libs = libmanager.check4zaid(zaid) if newlib in libs: reaction.change_lib(lib) else: - print(CORANGE+""" + print( + CORANGE + + """ Warning: {} is not available in xsdir, it will be not translated - """.format(zaid)+CEND) + """.format( + zaid + ) + + CEND + ) def write(self, path): """ @@ -426,9 +434,9 @@ def write(self, path): """ filepath = os.path.join(path, self.name) - with open(filepath, 'w') as outfile: + with open(filepath, "w") as outfile: for reaction in self.reactions: - outfile.write(REACFORMAT.format(*reaction.write())+'\n') + outfile.write(REACFORMAT.format(*reaction.write()) + "\n") class Reaction: @@ -475,9 +483,9 @@ def change_lib(self, newlib): None. """ - pieces = self.parent.split('.') + pieces = self.parent.split(".") # Override lib - self.parent = pieces[0]+'.'+newlib + self.parent = pieces[0] + "." + newlib def write(self): """ @@ -492,7 +500,7 @@ def write(self): # compute text textpieces = [self.parent, self.MT, self.daughter] if self.comment is None: - comment = '' + comment = "" else: comment = self.comment textpieces.append(comment) @@ -523,10 +531,10 @@ def from_text(cls, text): MT = pieces[1] daughter = pieces[2] # the rest is comments - comment = '' + comment = "" if len(pieces) > 3: for piece in pieces[3:]: - comment = comment+' '+piece + comment = comment + " " + piece comment = comment.strip() diff --git a/jade/plotter.py b/jade/plotter.py index ef6a7e06..12eb7526 100644 --- a/jade/plotter.py +++ b/jade/plotter.py @@ -21,24 +21,25 @@ # You should have received a copy of the GNU General Public License # along with JADE. If not, see . -import os import math +import os + import matplotlib.pyplot as plt import numpy as np import pandas as pd -from matplotlib.ticker import LogLocator, AutoMinorLocator, MultipleLocator, AutoLocator -from matplotlib.markers import CARETUPBASE -from matplotlib.markers import CARETDOWNBASE -from matplotlib.patches import Patch from matplotlib.lines import Line2D +from matplotlib.markers import CARETDOWNBASE, CARETUPBASE +from matplotlib.patches import Patch, Rectangle +from matplotlib.ticker import (AutoLocator, AutoMinorLocator, LogLocator, + MultipleLocator) from scipy.interpolate import interp1d -from matplotlib.patches import Rectangle - # ============================================================================ # Specify parameters for plots # ============================================================================ -np.seterr(divide="ignore", invalid="ignore") # Suppressing divide by zero error in plots +np.seterr( + divide="ignore", invalid="ignore" +) # Suppressing divide by zero error in plots DEFAULT_EXTENSION = ".png" SMALL_SIZE = 22 @@ -128,7 +129,7 @@ # --- exp data plot --- -EXP_DATA_LINESTYLES = ['--', '-.', ':']*50 +EXP_DATA_LINESTYLES = ["--", "-.", ":"] * 50 # ============================================================================ # Plotter Class @@ -136,9 +137,21 @@ class Plotter: - def __init__(self, data, title, outpath, outname, quantity, unit, xlabel, - testname, ext=DEFAULT_EXTENSION, group_num=None, - add_labels=None, mult_factors=None): + def __init__( + self, + data, + title, + outpath, + outname, + quantity, + unit, + xlabel, + testname, + ext=DEFAULT_EXTENSION, + group_num=None, + add_labels=None, + mult_factors=None, + ): """ Object Handling plots @@ -247,20 +260,22 @@ def plot(self, plot_type): outp = self._ratio_plot() # --- Experimental Points Plot --- - elif plot_type == 'Experimental points': + elif plot_type == "Experimental points": outp = self._exp_points_plot(test_name=self.testname) - elif plot_type == 'Experimental points group': - if self.testname == 'Tiara-BC': # Special actions for Tiara-BC - outp = self._exp_points_group_plot(test_name=self.testname, - x_scale='linear') + elif plot_type == "Experimental points group": + if self.testname == "Tiara-BC": # Special actions for Tiara-BC + outp = self._exp_points_group_plot( + test_name=self.testname, x_scale="linear" + ) else: outp = self._exp_points_group_plot(test_name=self.testname) - elif plot_type == 'Experimental points group CE': - if self.testname == 'Tiara-BC': # Special actions for Tiara-BC - outp = self._exp_points_group_plot_CE(test_name=self.testname, - x_scale='linear') + elif plot_type == "Experimental points group CE": + if self.testname == "Tiara-BC": # Special actions for Tiara-BC + outp = self._exp_points_group_plot_CE( + test_name=self.testname, x_scale="linear" + ) else: outp = self._exp_points_group_plot_CE(test_name=self.testname) @@ -311,9 +326,10 @@ def _waves(self, upperlimit=1.5, lowerlimit=0.5): """ nrows = len(self.quantity) - fig, axes = plt.subplots(figsize=(18, 7.5 + 2 * nrows), nrows=nrows, - sharex=True) - fig.suptitle(self.title, weight='bold') + fig, axes = plt.subplots( + figsize=(18, 7.5 + 2 * nrows), nrows=nrows, sharex=True + ) + fig.suptitle(self.title, weight="bold") if isinstance(axes, np.ndarray) is False: axes = np.array([axes]) @@ -521,8 +537,7 @@ def _grouped_bar(self, log=False, maxgroups=35, xlegend=None, minspread=2): return self._save() - def _exp_points_plot(self, test_name, y_scale='log', markersize=10, - x_scale='log'): + def _exp_points_plot(self, test_name, y_scale="log", markersize=10, x_scale="log"): """ Plot a simple plot that compares experimental data points with computational calculation. @@ -567,12 +582,23 @@ def _exp_points_plot(self, test_name, y_scale='log', markersize=10, # fillstyle='none', zorder=3, label=ref['ylabel'], # markersize=markersize, markeredgewidth=2) # elif EXP_PLOT_TYPE[test_name] == 'bins': - ax1.plot(ref['x'], ref['y'], color=self.colors[0], - drawstyle='steps-pre', label=ref['ylabel'], - linestyle='-', linewidth=2) - ax1.fill_between(ref['x'], ref['y'] - (ref['err']*ref['y']), - ref['y'] + (ref['err']*ref['y']), step='pre', - color=self.colors[0], alpha=0.15) + ax1.plot( + ref["x"], + ref["y"], + color=self.colors[0], + drawstyle="steps-pre", + label=ref["ylabel"], + linestyle="-", + linewidth=2, + ) + ax1.fill_between( + ref["x"], + ref["y"] - (ref["err"] * ref["y"]), + ref["y"] + (ref["err"] * ref["y"]), + step="pre", + color=self.colors[0], + alpha=0.15, + ) # Get the linear interpolation for C/E interpolate = interp1d(ref["x"], ref["y"], fill_value=0, bounds_error=False) @@ -580,16 +606,28 @@ def _exp_points_plot(self, test_name, y_scale='log', markersize=10, try: for i, dic in enumerate(data[1:]): # Plot the flux - ax1.plot(dic['x'], dic['y'], color=self.colors[i+1], - drawstyle='steps-pre', label=dic['ylabel'], - linestyle=EXP_DATA_LINESTYLES[i], linewidth=2, - zorder=2) + ax1.plot( + dic["x"], + dic["y"], + color=self.colors[i + 1], + drawstyle="steps-pre", + label=dic["ylabel"], + linestyle=EXP_DATA_LINESTYLES[i], + linewidth=2, + zorder=2, + ) # plot the C/E - interp_ref = interpolate(dic['x']) - ax2.plot(dic['x'], dic['y']/interp_ref, color=self.colors[i+1], - drawstyle='steps-pre', label=dic['ylabel'], - linestyle=EXP_DATA_LINESTYLES[i], linewidth=2, - zorder=2) + interp_ref = interpolate(dic["x"]) + ax2.plot( + dic["x"], + dic["y"] / interp_ref, + color=self.colors[i + 1], + drawstyle="steps-pre", + label=dic["ylabel"], + linestyle=EXP_DATA_LINESTYLES[i], + linewidth=2, + zorder=2, + ) except KeyError: # it is a single pp return self._save() @@ -630,8 +668,9 @@ def _exp_points_plot(self, test_name, y_scale='log', markersize=10, return self._save() - def _exp_points_group_plot(self, test_name, y_scale='log', markersize=10, - x_scale='log'): + def _exp_points_group_plot( + self, test_name, y_scale="log", markersize=10, x_scale="log" + ): """ Plot a simple plot that compares experimental data points with computational calculation, grouping more tallies together. @@ -658,67 +697,108 @@ def _exp_points_group_plot(self, test_name, y_scale='log', markersize=10, fig, ax1 = plt.subplots(figsize=figsize) for k, data_dic in enumerate(list(data.values())): - ylabel = self.quantity+' ['+self.unit+']' + ylabel = self.quantity + " [" + self.unit + "]" ref = data_dic[0] fact = self.mult_factors[k] - y = ref['y']*fact + y = ref["y"] * fact if fact == 1: lab = self.add_labels[k] else: - lab = self.add_labels[k] + ' x' + str(fact) + lab = self.add_labels[k] + " x" + str(fact) if k == 0: - ax1.plot(ref['x'], y, color=self.colors[0], - drawstyle='steps-pre', label=ref['ylabel'], - linestyle='-', linewidth=2) - ax1.fill_between(ref['x'], y - (ref['err']*y), - y + (ref['err']*y), step='pre', - color=self.colors[0], alpha=0.15) - plt.text(ref['x'][int(len(y)/2)], y[int(len(y)/2)], lab, - backgroundcolor='w') + ax1.plot( + ref["x"], + y, + color=self.colors[0], + drawstyle="steps-pre", + label=ref["ylabel"], + linestyle="-", + linewidth=2, + ) + ax1.fill_between( + ref["x"], + y - (ref["err"] * y), + y + (ref["err"] * y), + step="pre", + color=self.colors[0], + alpha=0.15, + ) + plt.text( + ref["x"][int(len(y) / 2)], + y[int(len(y) / 2)], + lab, + backgroundcolor="w", + ) else: - ax1.plot(ref['x'], y, color=self.colors[0], - drawstyle='steps-pre', - linestyle='-', linewidth=2) - ax1.fill_between(ref['x'], y - (ref['err']*y), - y + (ref['err']*y), step='pre', - color=self.colors[0], alpha=0.15) - plt.text(ref['x'][int(len(y)/2)], y[int(len(y)/2)], lab, - backgroundcolor='w') + ax1.plot( + ref["x"], + y, + color=self.colors[0], + drawstyle="steps-pre", + linestyle="-", + linewidth=2, + ) + ax1.fill_between( + ref["x"], + y - (ref["err"] * y), + y + (ref["err"] * y), + step="pre", + color=self.colors[0], + alpha=0.15, + ) + plt.text( + ref["x"][int(len(y) / 2)], + y[int(len(y) / 2)], + lab, + backgroundcolor="w", + ) for i, dic in enumerate(data_dic[1:]): # Plot the flux fact = self.mult_factors[k] - y = dic['y']*self.mult_factors[k] + y = dic["y"] * self.mult_factors[k] if k == 0: - ax1.plot(dic['x'], y, color=self.colors[i+1], - drawstyle='steps-pre', label=dic['ylabel'], - linestyle=EXP_DATA_LINESTYLES[i], linewidth=2, - zorder=2) + ax1.plot( + dic["x"], + y, + color=self.colors[i + 1], + drawstyle="steps-pre", + label=dic["ylabel"], + linestyle=EXP_DATA_LINESTYLES[i], + linewidth=2, + zorder=2, + ) else: - ax1.plot(dic['x'], y, color=self.colors[i+1], - drawstyle='steps-pre', - linestyle=EXP_DATA_LINESTYLES[i], linewidth=2, - zorder=2) + ax1.plot( + dic["x"], + y, + color=self.colors[i + 1], + drawstyle="steps-pre", + linestyle=EXP_DATA_LINESTYLES[i], + linewidth=2, + zorder=2, + ) # --- Plot details --- # ax 1 details ax1.set_yscale(y_scale) ax1.set_title(self.title) ax1.set_ylabel(ylabel) - ax1.legend(loc='best') + ax1.legend(loc="best") ax1.set_xlabel(self.xlabel) # # Draw the exp error ax1.set_xscale(x_scale) - ax1.tick_params(which='major', width=1.00, length=5) - ax1.tick_params(which='minor', width=0.75, length=2.50) + ax1.tick_params(which="major", width=1.00, length=5) + ax1.tick_params(which="minor", width=0.75, length=2.50) # Grid - ax1.grid('True', which='major', linewidth=0.50) - ax1.grid('True', which='minor', linewidth=0.20) + ax1.grid("True", which="major", linewidth=0.50) + ax1.grid("True", which="minor", linewidth=0.20) return self._save() - def _exp_points_group_plot_CE(self, test_name, y_scale='log', - markersize=10, x_scale='log'): + def _exp_points_group_plot_CE( + self, test_name, y_scale="log", markersize=10, x_scale="log" + ): """ Plot a simple plot that compares experimental data points with computational calculation. @@ -740,8 +820,9 @@ def _exp_points_group_plot_CE(self, test_name, y_scale='log', """ nrows = len(self.data) - fig, axes = plt.subplots(figsize=(21, 6.5 + 2 * nrows), nrows=nrows, - sharex=True) + fig, axes = plt.subplots( + figsize=(21, 6.5 + 2 * nrows), nrows=nrows, sharex=True + ) if isinstance(axes, np.ndarray) is False: axes = np.array([axes]) @@ -749,21 +830,26 @@ def _exp_points_group_plot_CE(self, test_name, y_scale='log', ref = val[0] # Adjounrn ylabel - ylabel = 'C/E' + ylabel = "C/E" # Get the linear interpolation for C/E - interpolate = interp1d(ref['x'], ref['y'], fill_value=0, - bounds_error=False) + interpolate = interp1d(ref["x"], ref["y"], fill_value=0, bounds_error=False) # Plot all data try: for i, dic in enumerate(val[1:]): # plot the C/E - interp_ref = interpolate(dic['x']) - axes[key].plot(dic['x'], dic['y']/interp_ref, color=self.colors[i+1], - drawstyle='steps-pre', label=dic['ylabel'], - linestyle=EXP_DATA_LINESTYLES[i], linewidth=2, - zorder=2) + interp_ref = interpolate(dic["x"]) + axes[key].plot( + dic["x"], + dic["y"] / interp_ref, + color=self.colors[i + 1], + drawstyle="steps-pre", + label=dic["ylabel"], + linestyle=EXP_DATA_LINESTYLES[i], + linewidth=2, + zorder=2, + ) except KeyError: # it is a single pp return self._save() @@ -777,25 +863,25 @@ def _exp_points_group_plot_CE(self, test_name, y_scale='log', axes[key].set_ylim(bottom=0, top=2) yticks = np.arange(0, 2.5, 0.5) axes[key].set_yticks(yticks) - axes[key].axhline(y=1, linestyle='--', color='black') + axes[key].axhline(y=1, linestyle="--", color="black") # # Draw the exp error # Common for all axes axes[key].set_xscale(x_scale) - axes[key].tick_params(which='major', width=1.00, length=5) - axes[key].tick_params(which='minor', width=0.75, length=2.50) + axes[key].tick_params(which="major", width=1.00, length=5) + axes[key].tick_params(which="minor", width=0.75, length=2.50) # Grid - axes[key].grid('True', which='major', linewidth=0.50) - axes[key].grid('True', which='minor', linewidth=0.20) + axes[key].grid("True", which="major", linewidth=0.50) + axes[key].grid("True", which="minor", linewidth=0.20) - axes[0].legend(loc='upper center', bbox_to_anchor=(0.88, 1.5), - fancybox=True, shadow=True) + axes[0].legend( + loc="upper center", bbox_to_anchor=(0.88, 1.5), fancybox=True, shadow=True + ) axes[key].set_xlabel(self.xlabel) return self._save() - def _exp_points_discreet_plot(self, y_scale='log', lowerlimit=0.5, - upperlimit=1.5): + def _exp_points_discreet_plot(self, y_scale="log", lowerlimit=0.5, upperlimit=1.5): """ Plot a simple plot that compares experimental data points with computational calculation. Differently from _exp_points_plot here @@ -1191,8 +1277,7 @@ def _binned_plot(self, normalize=False): tag = "T" + str(idx) + ": " else: tag = "R: " - ax1.step(x, y, label=tag+dic_data['ylabel'], - color=colors[idx]) + ax1.step(x, y, label=tag + dic_data["ylabel"], color=colors[idx]) ax1.errorbar( newX, y[1:], diff --git a/jade/postprocess.py b/jade/postprocess.py index 8314fdbc..77462426 100644 --- a/jade/postprocess.py +++ b/jade/postprocess.py @@ -28,7 +28,7 @@ import jade.sphereoutput as spho -def compareBenchmark(session, lib_input: str, testname: str, exp = False) -> None: +def compareBenchmark(session, lib_input: str, testname: str, exp=False) -> None: """Compare benchmark results and perform post-processing. Parameters @@ -54,7 +54,7 @@ def compareBenchmark(session, lib_input: str, testname: str, exp = False) -> Non # Get the settings for the tests if exp == True: config = session.conf.exp_default.set_index("Description") - else: + else: config = session.conf.comp_default.set_index("Description") # Get the log log = session.log @@ -139,48 +139,46 @@ def _get_output(action, config, lib, session): elif testname == "SphereSDDR": out = spho.SphereSDDRoutput(lib, config, session) - #TODO change testname to config - elif testname in ['Oktavian']: - if action == 'compare': + # TODO change testname to config + elif testname in ["Oktavian"]: + if action == "compare": out = expo.SpectrumOutput(lib, config, session, multiplerun=True) - elif action == 'pp': + elif action == "pp": print(exp_pp_message) return False - elif testname in ['Tiara-BC', 'FNS-TOF', 'TUD-Fe', 'TUD-W']: - if action == 'compare': - out = expo.MultipleSpectrumOutput(lib, config, - session, multiplerun=True) - elif action == 'pp': + elif testname in ["Tiara-BC", "FNS-TOF", "TUD-Fe", "TUD-W"]: + if action == "compare": + out = expo.MultipleSpectrumOutput(lib, config, session, multiplerun=True) + elif action == "pp": print(exp_pp_message) return False - elif testname in ['TUD-FNG']: - if action == 'compare': + elif testname in ["TUD-FNG"]: + if action == "compare": out = expo.MultipleSpectrumOutput(lib, config, session) - elif action == 'pp': + elif action == "pp": print(exp_pp_message) return False - elif testname == 'Tiara-FC': - if action == 'compare': + elif testname == "Tiara-FC": + if action == "compare": out = expo.TiaraFCOutput(lib, config, session, multiplerun=True) - elif action == 'pp': + elif action == "pp": print(exp_pp_message) return False - elif testname == 'Tiara-BS': - if action == 'compare': + elif testname == "Tiara-BS": + if action == "compare": out = expo.TiaraBSOutput(lib, config, session, multiplerun=True) - elif action == 'pp': + elif action == "pp": print(exp_pp_message) return False - elif testname in ['FNG-BKT', 'FNG-W', 'ASPIS-Fe88']: - if action == 'compare': - out = expo.ShieldingOutput(lib, config, session, - multiplerun=True) - elif action == 'pp': + elif testname in ["FNG-BKT", "FNG-W", "ASPIS-Fe88"]: + if action == "compare": + out = expo.ShieldingOutput(lib, config, session, multiplerun=True) + elif action == "pp": print(exp_pp_message) return False diff --git a/jade/sphereoutput.py b/jade/sphereoutput.py index a2f1260e..3680ee99 100644 --- a/jade/sphereoutput.py +++ b/jade/sphereoutput.py @@ -22,26 +22,24 @@ along with JADE. If not, see . """ -import sys -import xlsxwriter -from xlsxwriter.utility import xl_rowcol_to_cell -import jade.excelsupport as exsupp -import pandas as pd -import os -import shutil -import jade.plotter as plotter - # import pythoncom import math +import os +import shutil +import sys +import numpy as np +import pandas as pd +import xlsxwriter # import openpyxl # from openpyxl.utils.dataframe import dataframe_to_rows from tqdm import tqdm +from xlsxwriter.utility import xl_rowcol_to_cell + import jade.atlas as at -import numpy as np -from jade.output import BenchmarkOutput -from jade.output import MCNPoutput -from jade.output import OpenMCOutput +import jade.excelsupport as exsupp +import jade.plotter as plotter +from jade.output import BenchmarkOutput, MCNPoutput, OpenMCOutput class SphereOutput(BenchmarkOutput): @@ -91,9 +89,9 @@ def _generate_single_plots(self): """ for code, outputs in self.outputs.items(): - #outpath = os.path.join(self.atlas_path, "tmp") - #if not os.path.exists(outpath): - #os.mkdir(outpath) + # outpath = os.path.join(self.atlas_path, "tmp") + # if not os.path.exists(outpath): + # os.mkdir(outpath) """ if self.mcnp: outpath = os.path.join(self.atlas_path_mcnp, 'tmp') @@ -115,16 +113,16 @@ def _generate_single_plots(self): for tally, title, quantity, unit in [ (4, "Averaged Neutron Flux (175 groups)", "Neutron Flux", r"$\#/cm^2$"), (14, "Averaged Gamma Flux (24 groups)", "Gamma Flux", r"$\#/cm^2$"), - ]: + ]: out_type = str(type(list(outputs.values())[0]).__name__) if out_type == "SphereMCNPoutput": - outpath = os.path.join(self.atlas_path_mcnp, 'tmp') + outpath = os.path.join(self.atlas_path_mcnp, "tmp") if out_type == "SphereSerpentOutput": - outpath = os.path.join(self.atlas_path_serpent, 'tmp') + outpath = os.path.join(self.atlas_path_serpent, "tmp") if out_type == "SphereOpenMCOutput": - outpath = os.path.join(self.atlas_path_openmc, 'tmp') + outpath = os.path.join(self.atlas_path_openmc, "tmp") if out_type == "SphereD1Soutput": - outpath = os.path.join(self.atlas_path_d1s, 'tmp') + outpath = os.path.join(self.atlas_path_d1s, "tmp") if not os.path.exists(outpath): os.mkdir(outpath) print(" Plotting tally n." + str(tally)) @@ -215,22 +213,24 @@ def compare(self): print(" Comparison post-processing completed") def _generate_plots(self, libraries, allzaids, outputs, globalname): - #for lib, outputs in self.outputs.items(): + # for lib, outputs in self.outputs.items(): # print(lib, outputs) for code, code_outputs in self.outputs.items(): for tally, title, quantity, unit in [ (4, "Leakage Neutron Flux (175 groups)", "Neutron Flux", r"$\#/cm^2$"), (14, "Leakage Gamma Flux (24 groups)", "Gamma Flux", r"$\#/cm^2$"), ]: - out_type = str(type(list(list(code_outputs.values())[0].values())[0]).__name__) + out_type = str( + type(list(list(code_outputs.values())[0].values())[0]).__name__ + ) if out_type == "SphereMCNPoutput": - outpath = os.path.join(self.atlas_path_mcnp, 'tmp') + outpath = os.path.join(self.atlas_path_mcnp, "tmp") if out_type == "SphereSerpentOutput": - outpath = os.path.join(self.atlas_path_serpent, 'tmp') + outpath = os.path.join(self.atlas_path_serpent, "tmp") if out_type == "SphereOpenMCOutput": - outpath = os.path.join(self.atlas_path_openmc, 'tmp') + outpath = os.path.join(self.atlas_path_openmc, "tmp") if out_type == "SphereD1Soutput": - outpath = os.path.join(self.atlas_path_d1s, 'tmp') + outpath = os.path.join(self.atlas_path_d1s, "tmp") if not os.path.exists(outpath): os.mkdir(outpath) print(" Plotting tally n." + str(tally)) @@ -239,8 +239,12 @@ def _generate_plots(self, libraries, allzaids, outputs, globalname): data = [] for library, lib_outputs in code_outputs.items(): try: # Zaid could not be common to the libraries - tally_data = lib_outputs[zaidnum].tallydata.set_index('Tally N.').loc[tally] - #print(lib_outputs[zaidnum]) + tally_data = ( + lib_outputs[zaidnum] + .tallydata.set_index("Tally N.") + .loc[tally] + ) + # print(lib_outputs[zaidnum]) energy = tally_data["Energy"].values values = tally_data["Value"].values error = tally_data["Error"].values @@ -269,7 +273,6 @@ def _generate_plots(self, libraries, allzaids, outputs, globalname): ) plot.plot("Binned graph") - self._build_atlas(outpath) def _get_organized_output(self): @@ -428,7 +431,7 @@ def pp_excel_single(self): if self.mcnp: outfolder_path = self.excel_path_mcnp - #os.makedirs(outfolder_path, exist_ok=True) + # os.makedirs(outfolder_path, exist_ok=True) # outpath = os.path.join(self.excel_path_mcnp,'Sphere_single_' + 'MCNP_' + self.lib+'.xlsx') outpath = os.path.join( outfolder_path, "Sphere_single_" + "MCNP_" + self.lib + ".xlsx" @@ -464,7 +467,7 @@ def pp_excel_single(self): if self.openmc: outfolder_path = self.excel_path_openmc - #os.mkdir(outfolder_path) + # os.mkdir(outfolder_path) # outpath = os.path.join(self.excel_path_openmc,'Sphere_single_' + 'OpenMC_' + self.lib+'.xlsx') outpath = os.path.join( outfolder_path, "Sphere_single_" + "OpenMC_" + self.lib + ".xlsx" @@ -1027,18 +1030,18 @@ def sphere_single_excel_writer(self, outpath, lib, values, errors, stats=None): def pp_excel_comparison(self): """ - Compute the data and create the excel for all libraries comparisons. - In the meantime, additional data is stored for future plots. + Compute the data and create the excel for all libraries comparisons. + In the meantime, additional data is stored for future plots. - Returns - ------- - 6b None. + Returns + ------- + 6b None. """ # template = os.path.join(os.getcwd(), 'templates', # 'Sphere_comparison.xlsx') - + code_outputs = {} if self.mcnp: @@ -1046,7 +1049,7 @@ def pp_excel_comparison(self): outputs = {} for reflib, tarlib, name in self.couples: outfolder_path = self.excel_path_mcnp - #os.mkdir(outfolder_path) + # os.mkdir(outfolder_path) outpath = os.path.join( outfolder_path, "Sphere_comparison_" + name + "_mcnp.xlsx" ) @@ -1055,7 +1058,7 @@ def pp_excel_comparison(self): # Get results comp_dfs = [] error_dfs = [] - + for test_path in [ os.path.join(self.test_path[reflib], "mcnp"), os.path.join(self.test_path[tarlib], "mcnp"), @@ -1103,7 +1106,7 @@ def pp_excel_comparison(self): results.append(res) errors.append(err) - + # Add reference library outputs if iteration == 1: outputs[reflib] = outputs_lib @@ -1119,12 +1122,12 @@ def pp_excel_comparison(self): error_df.set_index(["Zaid", "Zaid Name"], inplace=True) comp_dfs.append(comp_df) error_dfs.append(error_df) - + # outputs_couple = outputs code_outputs["mcnp"] = outputs self.outputs = code_outputs - #self.results["mcnp"] = results - #self.errors["mcnp"] = errors + # self.results["mcnp"] = results + # self.errors["mcnp"] = errors # Consider only common zaids idx1 = comp_dfs[0].index @@ -1137,8 +1140,8 @@ def pp_excel_comparison(self): ].loc[newidx] absdiff = comp_dfs[0].loc[newidx] - comp_dfs[1].loc[newidx] - #self.diff_data["mcnp"] = final - #self.absdiff["mcnp"] = absdiff + # self.diff_data["mcnp"] = final + # self.absdiff["mcnp"] = absdiff # Standard deviation idx1 = absdiff.index @@ -1147,7 +1150,7 @@ def pp_excel_comparison(self): std_dev = absdiff.loc[newidx] / error_dfs[0].loc[newidx] - #self.std_dev["mcnp"] = std_dev + # self.std_dev["mcnp"] = std_dev # Correct sorting for df in [final, absdiff, std_dev]: df.reset_index(inplace=True) @@ -1242,7 +1245,7 @@ def pp_excel_comparison(self): outputs = {} for reflib, tarlib, name in self.couples: outfolder_path = self.excel_path_openmc - #os.mkdir(outfolder_path) + # os.mkdir(outfolder_path) outpath = os.path.join( outfolder_path, "Sphere_comparison_" + name + "_openmc.xlsx" ) @@ -1316,8 +1319,8 @@ def pp_excel_comparison(self): # self.results = results code_outputs["openmc"] = outputs self.outputs = code_outputs - #self.results["openmc"] = results - #self.errors["openmc"] = errors + # self.results["openmc"] = results + # self.errors["openmc"] = errors # Consider only common zaids idx1 = comp_dfs[0].index idx2 = comp_dfs[1].index @@ -1325,11 +1328,12 @@ def pp_excel_comparison(self): # Build the final excel data final = (comp_dfs[0].loc[newidx] - comp_dfs[1].loc[newidx]) / comp_dfs[ - 0].loc[newidx] + 0 + ].loc[newidx] absdiff = comp_dfs[0].loc[newidx] - comp_dfs[1].loc[newidx] - #self.diff_data["openmc"] = final - #self.absdiff["openmc"] = absdiff + # self.diff_data["openmc"] = final + # self.absdiff["openmc"] = absdiff # Standard deviation idx1 = absdiff.index @@ -1338,7 +1342,7 @@ def pp_excel_comparison(self): std_dev = absdiff.loc[newidx] / error_dfs[0].loc[newidx] - #self.std_dev["openmc"] = std_dev + # self.std_dev["openmc"] = std_dev # Correct sorting for df in [final, absdiff, std_dev]: @@ -1997,7 +2001,6 @@ def print_raw(self): class SphereTallyOutput: - """SB to replace this next!""" def get_single_excel_data(self, tallies2pp): diff --git a/jade/status.py b/jade/status.py index 1bc51e4e..58f23461 100644 --- a/jade/status.py +++ b/jade/status.py @@ -22,9 +22,10 @@ along with JADE. If not, see . """ from __future__ import annotations -from typing import TYPE_CHECKING + import os import re +from typing import TYPE_CHECKING if TYPE_CHECKING: from jade.main import Session diff --git a/jade/testrun.py b/jade/testrun.py index c75e094d..be4455cb 100644 --- a/jade/testrun.py +++ b/jade/testrun.py @@ -28,13 +28,14 @@ from copy import deepcopy from pathlib import Path +import numpy as np +import pandas as pd +from tqdm import tqdm + import jade.inputfile as ipt import jade.matreader as mat import jade.unix as unix -import numpy as np -import pandas as pd from jade.parsersD1S import IrradiationFile, Reaction, ReactionFile -from tqdm import tqdm # colors CRED = "\033[91m" @@ -453,7 +454,7 @@ def run_d1s( lib = list(self.lib.values())[0] elif isinstance(self.lib, str): if "-" in self.lib: - lib = self.lib.split("-")[0] + lib = self.lib.split("-")[0] else: lib = self.lib diff --git a/jade/unix.py b/jade/unix.py index c7ff4eb1..e57adbd0 100644 --- a/jade/unix.py +++ b/jade/unix.py @@ -26,7 +26,6 @@ import subprocess import sys - if "MODULEPATH" not in os.environ and "win" not in sys.platform: f = open(os.environ["MODULESHOME"] + "/init/.modulespath", "r") path = [] diff --git a/jade/utilitiesgui.py b/jade/utilitiesgui.py index f699ffa7..905822c1 100644 --- a/jade/utilitiesgui.py +++ b/jade/utilitiesgui.py @@ -22,21 +22,20 @@ along with JADE. If not, see . """ import os -from jade.matreader import SubMaterial -import jade.inputfile as ipt -import pandas as pd -import xlsxwriter -import jade.matreader as mat - -from tqdm import tqdm -from jade.inputfile import D1S_Input - +from functools import reduce import matplotlib.pyplot as plt import numpy as np +import pandas as pd +import xlsxwriter +from tqdm import tqdm -from functools import reduce +import jade.inputfile as ipt +import jade.matreader as mat from jade.acepyne import * +from jade.inputfile import D1S_Input +from jade.matreader import SubMaterial + ############################################################################### # ------------------------ UTILITIES ------------------------------------------ @@ -68,26 +67,26 @@ def translate_input(session, lib, inputfile, outpath=None): inp.update_zaidinfo(libmanager) info2, _ = inp.matlist.get_info(libmanager) - newdir = os.path.join(outpath, 'Translation') + newdir = os.path.join(outpath, "Translation") if not os.path.exists(newdir): os.mkdir(newdir) - outfile = os.path.join(newdir, filename+'_translated_'+lib) + outfile = os.path.join(newdir, filename + "_translated_" + lib) inp.write(outfile) # Log production try: - info1['Fraction old'] = info1['Fraction'] - info1['Fraction new'] = info2['Fraction'] - perc = (info1['Fraction']-info2['Fraction'])/info1['Fraction'] - info1['Fraction difference [%]'] = perc - del info1['Fraction'] + info1["Fraction old"] = info1["Fraction"] + info1["Fraction new"] = info2["Fraction"] + perc = (info1["Fraction"] - info2["Fraction"]) / info1["Fraction"] + info1["Fraction difference [%]"] = perc + del info1["Fraction"] - outlog = os.path.join(newdir, filename+'_translated_'+lib+'_LOG.xlsx') + outlog = os.path.join(newdir, filename + "_translated_" + lib + "_LOG.xlsx") info1.to_excel(outlog) # In case at leat one entire element was not translated except ValueError: - text = ' Warning: it was impossible to produce the translation Log' + text = " Warning: it was impossible to produce the translation Log" print(text) session.log.adjourn(text) @@ -128,29 +127,37 @@ def print_material_info(session, filepath, outpath=None): except PermissionError: return False - inforaw, info_elem = inputfile.matlist.get_info(lib_manager, zaids=True, - complete=True) + inforaw, info_elem = inputfile.matlist.get_info( + lib_manager, zaids=True, complete=True + ) if outpath is None: - outpath = os.path.join(session.path_uti, 'Materials Infos') + outpath = os.path.join(session.path_uti, "Materials Infos") if not os.path.exists(outpath): os.mkdir(outpath) - outname = os.path.basename(filepath)+'_materialinfo.xlsx' + outname = os.path.basename(filepath) + "_materialinfo.xlsx" outfile = os.path.join(outpath, outname) try: - with pd.ExcelWriter(outfile, engine='xlsxwriter') as writer: - inforaw.to_excel(writer, sheet_name='Sheet1') - info_elem.to_excel(writer, sheet_name='Sheet2') + with pd.ExcelWriter(outfile, engine="xlsxwriter") as writer: + inforaw.to_excel(writer, sheet_name="Sheet1") + info_elem.to_excel(writer, sheet_name="Sheet2") except xlsxwriter.exceptions.FileCreateError: return False return True -def generate_material(session, sourcefile, materials, percentages, newlib, - fractiontype='atom', outpath=None): +def generate_material( + session, + sourcefile, + materials, + percentages, + newlib, + fractiontype="atom", + outpath=None, +): """ Starting from an MCNP input, materials contained in its material list can be used to generate a new material combining them. @@ -193,13 +200,18 @@ def generate_material(session, sourcefile, materials, percentages, newlib, # Collect all submaterials submaterials = [] - main_header = "C Material Obtained from "+os.path.basename(sourcefile) + main_header = "C Material Obtained from " + os.path.basename(sourcefile) for materialname, percentage in zip(materials, percentages): materialname = materialname.upper() - percentage_str = str(round(float(percentage)*100, 2))+'%' - main_header = (main_header+'\nC Material: '+materialname + - ' Percentage: '+percentage_str) + percentage_str = str(round(float(percentage) * 100, 2)) + "%" + main_header = ( + main_header + + "\nC Material: " + + materialname + + " Percentage: " + + percentage_str + ) material = inputfile.matlist[materialname] # Ensure materials have the requested fraction type material.switch_fraction(fractiontype, session.lib_manager) @@ -208,41 +220,46 @@ def generate_material(session, sourcefile, materials, percentages, newlib, totfraction = material.get_tot_fraction() current_submaterials = [] for j, submat in enumerate(material.submaterials): - norm_factor = float(percentage)/totfraction # normalized & scaled - if fractiontype == 'mass': + norm_factor = float(percentage) / totfraction # normalized & scaled + if fractiontype == "mass": norm_factor = -norm_factor submat.scale_fractions(norm_factor) submat.update_info(session.lib_manager) # Add info to the header in order to back-trace the generation - submat.header = ('C '+materialname+', submaterial '+str(j+1)+'\n' + - submat.header) + submat.header = ( + "C " + + materialname + + ", submaterial " + + str(j + 1) + + "\n" + + submat.header + ) # Drop additional keys if present submat.additional_keys = [] current_submaterials.append(submat) # Change the header of the first submaterial to include the mat. one - new_sub_header = (material.header + - current_submaterials[0].header).strip('\n') + new_sub_header = (material.header + current_submaterials[0].header).strip("\n") current_submaterials[0].header = new_sub_header submaterials.extend(current_submaterials) # Generate new material and matlist - newmat = mat.Material(None, None, 'M1', submaterials=submaterials, - header=main_header) + newmat = mat.Material( + None, None, "M1", submaterials=submaterials, header=main_header + ) matcard = mat.MatCardsList([newmat]) # matcard.update_info(session.lib_manager) # Dump it if outpath is None: - outfile = os.path.join(session.path_uti, 'Generated Materials') + outfile = os.path.join(session.path_uti, "Generated Materials") else: outfile = outpath if not os.path.exists(outfile): os.mkdir(outfile) - outfile = os.path.join(outfile, - os.path.basename(sourcefile)+'_new Material') + outfile = os.path.join(outfile, os.path.basename(sourcefile) + "_new Material") try: - with open(outfile, 'w') as writer: + with open(outfile, "w") as writer: writer.write(matcard.to_text()) except PermissionError: return False @@ -282,13 +299,12 @@ def switch_fractions(session, sourcefile, fraction_type, outpath=None): # Dump it if outpath is None: - outfile = os.path.join(session.path_uti, 'Fraction switch') + outfile = os.path.join(session.path_uti, "Fraction switch") else: outfile = outpath if not os.path.exists(outfile): os.mkdir(outfile) - outfile = os.path.join(outfile, - os.path.basename(sourcefile)+'_'+fraction_type) + outfile = os.path.join(outfile, os.path.basename(sourcefile) + "_" + fraction_type) inputfile.write(outfile) @@ -312,12 +328,12 @@ def restore_default_config(session): msg = """ Are you sure you want to restore the default configuration? All user modification will be lost [y/n] -> """ - ans = input_with_options(msg, ['y', 'n']) + ans = input_with_options(msg, ["y", "n"]) - if ans == 'y': + if ans == "y": session.restore_default_settings() else: - print('\n The operation was canceled.\n') + print("\n The operation was canceled.\n") def change_ACElib_suffix(): @@ -334,15 +350,14 @@ def change_ACElib_suffix(): """ # Ask for the directory where files are contained - message = ' Select directory containing ACE files: ' + message = " Select directory containing ACE files: " folder = select_inputfile(message) # Ask for the suffix - old = input(' Suffix to be changed (e.g. 99c): ') - new = input(' New suffix to be applied (e.g. 98c): ') + old = input(" Suffix to be changed (e.g. 99c): ") + new = input(" New suffix to be applied (e.g. 98c): ") - newfolder = os.path.join(os.path.dirname(folder), - os.path.basename(folder)+'new') + newfolder = os.path.join(os.path.dirname(folder), os.path.basename(folder) + "new") # Create new folder if not os.path.exists(newfolder): os.mkdir(newfolder) @@ -350,7 +365,7 @@ def change_ACElib_suffix(): for file in tqdm(os.listdir(folder)): oldfile = os.path.join(folder, file) newfile = os.path.join(newfolder, file) - with open(oldfile, 'r') as infile, open(newfile, 'w') as outfile: + with open(oldfile, "r") as infile, open(newfile, "w") as outfile: counter = 0 try: for line in infile: @@ -361,7 +376,7 @@ def change_ACElib_suffix(): else: outfile.write(line) except UnicodeDecodeError: - print('Decode error in '+file) + print("Decode error in " + file) def get_reaction_file(session, outpath=None): @@ -384,7 +399,7 @@ def get_reaction_file(session, outpath=None): """ # Select the input file - message = ' Please select a D1S input file: ' + message = " Please select a D1S input file: " filepath = select_inputfile(message) # Select the library lib = session.lib_manager.select_lib() @@ -392,9 +407,9 @@ def get_reaction_file(session, outpath=None): # Generate a D1S input inputfile = D1S_Input.from_text(filepath) reactionfile = inputfile.get_reaction_file(session.lib_manager, lib) - reactionfile.name = inputfile.name+'_react'+lib + reactionfile.name = inputfile.name + "_react" + lib if outpath is None: - outpath = os.path.join(session.path_uti, 'Reactions') + outpath = os.path.join(session.path_uti, "Reactions") # Dump it if not os.path.exists(outpath): # first time the utilities is used os.mkdir(outpath) @@ -423,15 +438,17 @@ def select_inputfile(message, max_n_tentatives=10): while True: i += 1 if i > 10: - raise ValueError('Too many wrong entries.') + raise ValueError("Too many wrong entries.") inputfile = input(message) if os.path.exists(inputfile): return inputfile else: - print(""" + print( + """ The file does not exist, please select a new one - """) + """ + ) def input_with_options(message, options): @@ -456,9 +473,11 @@ def input_with_options(message, options): if valid_input in options: return valid_input else: - print(""" + print( + """ Please chose a valid option - """) + """ + ) def clean_runtpe(root): @@ -509,7 +528,7 @@ def _rmv_runtpe_file(folder): if selected is None or len(file) < len(selected): selected = file # get the runtpe name - runtpe = selected+'r' + runtpe = selected + "r" filepath = os.path.join(folder, runtpe) # If found remove the file @@ -524,91 +543,93 @@ def _rmv_runtpe_file(folder): def print_XS_EXFOR(session): # dict of ENDF reactions MT number - ENDF_X4_dict = {1: "N,TOT", - 2: "N,EL", - 3: "N,NON", - 4: "N,INL", - 5: "N,X", - 10: "N,TOT", - 11: "N,2N+D", - 16: "N,2N", - 17: "N,3N", - 18: "N,F", - 19: "N,F'", - 20: "N,N+F", - 21: "N,2N+F", - 22: "N,N+A", - 23: "N,N+3A", - 24: "N,2N+A", - 25: "N,3N+A", - 27: "N,ABS", - 28: "N,N+P", - 29: "N,N+2A", - 32: "N,N+D", - 33: "N,N+T", - 34: "N,N+HE3", - 37: "N,4N", - 38: "N,3N+F", - 41: "N,2N+P", - 42: "N,3N+P", - 44: "N,N+2P", - 45: "N,N+P+A", - 51: "N,N'", - 89: "N,N'", - 90: "N,N'", - 91: "N,N'", - 101: "N,DIS", - 102: "N,G", - 103: "N,P", - 104: "N,D", - 105: "N,T", - 106: "N,HE3", - 107: "N,A", - 108: "N,2A", - 111: "N,2P", - 112: "N,P+A", - 113: "N,T+2A", - 115: "N,P+D", - 116: "N,P+T", - 117: "N,D+A", - 151: "N,RES", - 201: "N,XN", - 202: "N,XG", - 203: "N,XP", - 204: "N,XD", - 205: "N,XT", - 206: "N,XHE3", - 207: "N,XA", - 208: "N,XPi_pos", - 209: "N,XPi_0", - 210: "N,XPi_neg", - 444: "damage-energy production", - 452: "N,nu_tot", - 454: "N,ind_FY", - 455: "N,nu_d", - 456: "N,nu_p", - 458: "N,rel_fis", - 459: "FY_cum", - 460: "N,g_bdf", - 600: "N,P", - 601: "N,P'", - 649: "N,P'", - 650: "N,D", - 651: "N,D'", - 699: "N,D'", - 700: "N,T", - 701: "N,T'", - 749: "N,T'", - 750: "N,HE3'", - 751: "N,HE3'", - 799: "N,HE3'", - 800: "N,A", - 801: "N,A'", - 849: "N,A'", - 875: "N,2N", - 876: "N,2N", - 889: "N,2N", - 890: "N,2N"} + ENDF_X4_dict = { + 1: "N,TOT", + 2: "N,EL", + 3: "N,NON", + 4: "N,INL", + 5: "N,X", + 10: "N,TOT", + 11: "N,2N+D", + 16: "N,2N", + 17: "N,3N", + 18: "N,F", + 19: "N,F'", + 20: "N,N+F", + 21: "N,2N+F", + 22: "N,N+A", + 23: "N,N+3A", + 24: "N,2N+A", + 25: "N,3N+A", + 27: "N,ABS", + 28: "N,N+P", + 29: "N,N+2A", + 32: "N,N+D", + 33: "N,N+T", + 34: "N,N+HE3", + 37: "N,4N", + 38: "N,3N+F", + 41: "N,2N+P", + 42: "N,3N+P", + 44: "N,N+2P", + 45: "N,N+P+A", + 51: "N,N'", + 89: "N,N'", + 90: "N,N'", + 91: "N,N'", + 101: "N,DIS", + 102: "N,G", + 103: "N,P", + 104: "N,D", + 105: "N,T", + 106: "N,HE3", + 107: "N,A", + 108: "N,2A", + 111: "N,2P", + 112: "N,P+A", + 113: "N,T+2A", + 115: "N,P+D", + 116: "N,P+T", + 117: "N,D+A", + 151: "N,RES", + 201: "N,XN", + 202: "N,XG", + 203: "N,XP", + 204: "N,XD", + 205: "N,XT", + 206: "N,XHE3", + 207: "N,XA", + 208: "N,XPi_pos", + 209: "N,XPi_0", + 210: "N,XPi_neg", + 444: "damage-energy production", + 452: "N,nu_tot", + 454: "N,ind_FY", + 455: "N,nu_d", + 456: "N,nu_p", + 458: "N,rel_fis", + 459: "FY_cum", + 460: "N,g_bdf", + 600: "N,P", + 601: "N,P'", + 649: "N,P'", + 650: "N,D", + 651: "N,D'", + 699: "N,D'", + 700: "N,T", + 701: "N,T'", + 749: "N,T'", + 750: "N,HE3'", + 751: "N,HE3'", + 799: "N,HE3'", + 800: "N,A", + 801: "N,A'", + 849: "N,A'", + 875: "N,2N", + 876: "N,2N", + 889: "N,2N", + 890: "N,2N", + } MT_to_print = [] libs_to_print = [] @@ -617,34 +638,39 @@ def print_XS_EXFOR(session): # choose ZAI to print while flag is True: - isotope_zai = input(' Enter nuclide ZAID (e.g. 6012): ') - awr_key = list(session.lib_manager.data['mcnp'].values())[0].awr.keys() + isotope_zai = input(" Enter nuclide ZAID (e.g. 6012): ") + awr_key = list(session.lib_manager.data["mcnp"].values())[0].awr.keys() isot_list = list(awr_key) if type(isotope_zai) is not str or isotope_zai not in isot_list: - print(' Enter a valid ZAID') + print(" Enter a valid ZAID") continue if int(isotope_zai[-3:]) > 260: - print(' Cannot print metastable nuclides') + print(" Cannot print metastable nuclides") continue else: break # choose reactions MT to print while flag is True: - mt_num = input(' Enter reaction MT(s) (Enter "continue" once finished, \ - "print" to list reactions MT): ') + mt_num = input( + ' Enter reaction MT(s) (Enter "continue" once finished, \ + "print" to list reactions MT): ' + ) if mt_num == "continue": break if mt_num == "print": - print("{" + "\n".join("{!r}: {!r},".format(k, v) - for k, v in ENDF_X4_dict.items()) + "}") + print( + "{" + + "\n".join("{!r}: {!r},".format(k, v) for k, v in ENDF_X4_dict.items()) + + "}" + ) continue try: mt_num = int(mt_num) except ValueError: - print(' Enter a number!') + print(" Enter a number!") if mt_num not in list(ENDF_X4_dict.keys()): - print(' Enter a valid MT ID') + print(" Enter a valid MT ID") continue else: MT_to_print.append(mt_num) @@ -654,70 +680,84 @@ def print_XS_EXFOR(session): print(session.conf.lib.index.tolist()) msg = ' Enter library/libraries suffix to compare (Enter "continue" once finished): ' lib_compare = input(msg) - if lib_compare == 'continue': + if lib_compare == "continue": break if lib_compare not in session.conf.lib.index.tolist(): - print(' Enter a library present in CONFIG') + print(" Enter a library present in CONFIG") continue - elif lib_compare != 'continue': + elif lib_compare != "continue": libs_to_print.append(lib_compare) # Check for experimental data package while flag is True: - exp_data_flag = input(' Do you want to plot experimental data?(y/n) ') - if exp_data_flag == 'y': + exp_data_flag = input(" Do you want to plot experimental data?(y/n) ") + if exp_data_flag == "y": try: from x4i3 import exfor_manager except ModuleNotFoundError: - print('Experimental data package not installed') + print("Experimental data package not installed") exp_flag = False break exp_flag = True break - elif exp_data_flag == 'n': + elif exp_data_flag == "n": exp_flag = False break else: print(' please select one between "y" or "n"') # some variables for plotting - markers = ['s', "8", "1", "o", "v", "^", "<", ">", 'x', '2', '*', 'd', 'h', - '4'] - fill_markers = ['s', '8', ".", "o", "v", "^", "<", ">", '*', 'd', 'h'] - colors = ['m', 'r', 'c', 'b', 'k', '#BBF90F', '#FFFF00', 'm', 'r', 'c', - 'b', 'k', '#BBF90F', '#FFFF00'] + markers = ["s", "8", "1", "o", "v", "^", "<", ">", "x", "2", "*", "d", "h", "4"] + fill_markers = ["s", "8", ".", "o", "v", "^", "<", ">", "*", "d", "h"] + colors = [ + "m", + "r", + "c", + "b", + "k", + "#BBF90F", + "#FFFF00", + "m", + "r", + "c", + "b", + "k", + "#BBF90F", + "#FFFF00", + ] marker_styles = {} - linestyles = ['-', '--', '-.', ':', (0, (3, 5, 1, 5, 1, 5))] + linestyles = ["-", "--", "-.", ":", (0, (3, 5, 1, 5, 1, 5))] for i in range(len(markers)): if markers[i] in fill_markers: - marker_styles[i] = dict(marker=markers[i], facecolors='none', - edgecolors=colors[i], zorder=3) + marker_styles[i] = dict( + marker=markers[i], facecolors="none", edgecolors=colors[i], zorder=3 + ) else: - marker_styles[i] = dict(marker=markers[i], color=colors[i], - zorder=3) + marker_styles[i] = dict(marker=markers[i], color=colors[i], zorder=3) elem_dict = {} # Build elements dict for visualization purposes for index, row in session.lib_manager.isotopes.iterrows(): - elem = row['E'] - z = row['Z'] + elem = row["E"] + z = row["Z"] if z not in elem_dict.keys(): elem_dict[z] = elem - isotope_name = elem_dict[int(int(isotope_zai) / 1000) - ] + '-' + str(int(isotope_zai) % 1000) - + isotope_name = ( + elem_dict[int(int(isotope_zai) / 1000)] + "-" + str(int(isotope_zai) % 1000) + ) + # Build dict of nuclear data libraries XS_dict = {} for index, row in session.conf.lib.iterrows(): suffix = index - name = row['name'] - XS_dict[suffix] = {'suffix': suffix, 'name': name} + name = row["name"] + XS_dict[suffix] = {"suffix": suffix, "name": name} # Get xsdir object and libraries folderpath - datapath = list(session.lib_manager.data['mcnp'].values())[0].directory - XSDIR = list(session.lib_manager.data['mcnp'].values())[0] + datapath = list(session.lib_manager.data["mcnp"].values())[0].directory + XSDIR = list(session.lib_manager.data["mcnp"].values())[0] err_flag = 0 bookXS = {} @@ -730,39 +770,44 @@ def print_XS_EXFOR(session): bookXS[key] = {"suffix": suffix, "name": name} for i in bookXS.keys(): - bookXS[i]['ZAID'] = isotope_zai + '.' + bookXS[i]['suffix'] - + bookXS[i]["ZAID"] = isotope_zai + "." + bookXS[i]["suffix"] + for j in bookXS.keys(): for i in XSDIR.tables: - if bookXS[j]['ZAID'] == i.name: - bookXS[j]['datapath'] = i.filename.replace("/", "\\") + if bookXS[j]["ZAID"] == i.name: + bookXS[j]["datapath"] = i.filename.replace("/", "\\") for j in bookXS.keys(): - if 'datapath' in bookXS[j]: + if "datapath" in bookXS[j]: # Check for missing acefiles in JEFF4.0T1 try: - lib_path = datapath + "\\" + bookXS[j]['datapath'] - bookXS[j]['dataXS'] = Library(lib_path) + lib_path = datapath + "\\" + bookXS[j]["datapath"] + bookXS[j]["dataXS"] = Library(lib_path) except FileNotFoundError: - print('File not Found Error: ACEfile of nuclide \ - ' + isotope_name + ' not found in library ' + j + '\n') + print( + "File not Found Error: ACEfile of nuclide \ + " + + isotope_name + + " not found in library " + + j + + "\n" + ) err_flag = 1 break # Check for some bad ENDF-VIII not working acefiles try: - bookXS[j]['dataXS'].read() + bookXS[j]["dataXS"].read() except ValueError: - s = 'Error in reading ACEfile of nuclide ' + isotope_zai + '\n' + s = "Error in reading ACEfile of nuclide " + isotope_zai + "\n" print(s) err_flag = 1 break # Check for ENDF-VIII acefiles - if j != '00c': - bookXS[j]['dataT'] = bookXS[j]['dataXS' - ].tables[bookXS[j]['ZAID']] + if j != "00c": + bookXS[j]["dataT"] = bookXS[j]["dataXS"].tables[bookXS[j]["ZAID"]] else: - ace_zaid = bookXS[j]['ZAID'].split('.')[0] + '.800nc' - bookXS[j]['dataT'] = bookXS[j]['dataXS'].tables[ace_zaid] + ace_zaid = bookXS[j]["ZAID"].split(".")[0] + ".800nc" + bookXS[j]["dataT"] = bookXS[j]["dataXS"].tables[ace_zaid] if err_flag == 1: return @@ -770,45 +815,61 @@ def print_XS_EXFOR(session): for i in MT_to_print: if i != 1: for k, j in enumerate(bookXS.keys()): - if 'datapath' in bookXS[j]: + if "datapath" in bookXS[j]: try: - MT = 'MT'+str(i) - bookXS[j][MT] = bookXS[j]['dataT'].reactions[i] + MT = "MT" + str(i) + bookXS[j][MT] = bookXS[j]["dataT"].reactions[i] # Don't print if MT is not present in library except KeyError: - s = "Channel MT" + str(i) + ' ' + \ - 'not present in ' + bookXS[j]['name'] + s = ( + "Channel MT" + + str(i) + + " " + + "not present in " + + bookXS[j]["name"] + ) print(s) continue # Get experimental data for i in MT_to_print: - MT = 'MT' + str(i) + MT = "MT" + str(i) legend_plot = [] data_list = [] plt.figure(figsize=(18, 11)) if i != 444 and exp_flag is True: db = exfor_manager.X4DBManagerDefault() - iso_reac_exfor_data = db.retrieve(target=isotope_name, - reaction=ENDF_X4_dict[i], - quantity='SIG') + iso_reac_exfor_data = db.retrieve( + target=isotope_name, reaction=ENDF_X4_dict[i], quantity="SIG" + ) for entry_key, entry in iso_reac_exfor_data.items(): datasets = entry.getSimplifiedDataSets() for subentry_key, subentry in datasets.items(): - if subentry.simplified is True and isinstance(subentry.reaction[0].quantity, list) and len(subentry.reaction[0].quantity) == 1 and subentry.reaction[0].quantity[0] == 'SIG': # and len(subentry.reaction[0]) == 2 and subentry.reaction[0] == 'SIG': + if ( + subentry.simplified is True + and isinstance(subentry.reaction[0].quantity, list) + and len(subentry.reaction[0].quantity) == 1 + and subentry.reaction[0].quantity[0] == "SIG" + ): # and len(subentry.reaction[0]) == 2 and subentry.reaction[0] == 'SIG': x_subentry = [] y_subentry = [] - en_idx = datasets[subentry_key].labels.index('Energy') - data_idx = datasets[subentry_key].labels.index('Data') + en_idx = datasets[subentry_key].labels.index("Energy") + data_idx = datasets[subentry_key].labels.index("Data") for rows in subentry.data: x_subentry.append(rows[en_idx]) y_subentry.append(rows[data_idx]) - data_list.append((x_subentry, y_subentry, - len(x_subentry), - subentry.author[0] + ', \ - ' + subentry.year)) - sorted_data_list = sorted(data_list, key=lambda x: x[2], - reverse=True) + data_list.append( + ( + x_subentry, + y_subentry, + len(x_subentry), + subentry.author[0] + + ", \ + " + + subentry.year, + ) + ) + sorted_data_list = sorted(data_list, key=lambda x: x[2], reverse=True) # plot acefiles reactions for k, j in enumerate(bookXS.keys()): @@ -816,28 +877,34 @@ def print_XS_EXFOR(session): # should not occur # by default more than 4 libraries cannot be required break - if MT == 'MT1' and bookXS[j]['suffix'] in libs_to_print and 'datapath' in bookXS[j]: - X = bookXS[j]['dataT'].energy - y_set = bookXS[j]['dataT'].sigma_t + if ( + MT == "MT1" + and bookXS[j]["suffix"] in libs_to_print + and "datapath" in bookXS[j] + ): + X = bookXS[j]["dataT"].energy + y_set = bookXS[j]["dataT"].sigma_t if len(X) == len(y_set): - legend_plot.append(bookXS[j]['name']) - plt.plot(X, y_set, linestyle=linestyles[k], - linewidth=4, zorder=2) + legend_plot.append(bookXS[j]["name"]) + plt.plot(X, y_set, linestyle=linestyles[k], linewidth=4, zorder=2) else: # x and y axis nor od same length - print(isotope_zai + ': x and y axis nor od same length\n') + print(isotope_zai + ": x and y axis nor od same length\n") continue - elif MT in bookXS[j] and bookXS[j]['suffix'] in libs_to_print and 'datapath' in bookXS[j]: - r = bookXS[j]['dataT'].reactions[i] - X = bookXS[j]['dataT'].energy[r.IE:] + elif ( + MT in bookXS[j] + and bookXS[j]["suffix"] in libs_to_print + and "datapath" in bookXS[j] + ): + r = bookXS[j]["dataT"].reactions[i] + X = bookXS[j]["dataT"].energy[r.IE :] y_set = r.sigma if len(X) == len(y_set): - legend_plot.append(bookXS[j]['name']) - plt.plot(X, y_set, linestyle=linestyles[k], linewidth=4, - zorder=2) + legend_plot.append(bookXS[j]["name"]) + plt.plot(X, y_set, linestyle=linestyles[k], linewidth=4, zorder=2) else: - print(isotope_zai + ': x and y axis are not of the same length\n') + print(isotope_zai + ": x and y axis are not of the same length\n") continue # plot exfor data @@ -847,28 +914,32 @@ def print_XS_EXFOR(session): break else: legend_plot.append(elem[3]) - plt.scatter(sorted_data_list[idx][0], - sorted_data_list[idx][1], - s=135, **marker_styles[idx], linewidth=2) + plt.scatter( + sorted_data_list[idx][0], + sorted_data_list[idx][1], + s=135, + **marker_styles[idx], + linewidth=2 + ) # Skip if no data found for the reaction if not legend_plot: plt.close() - print('No data to print for ' + MT + '\n') + print("No data to print for " + MT + "\n") continue # Plot visualization else: plt.grid(visible=True) - plt.xscale('log') - plt.yscale('log') - plt.legend(legend_plot, loc="lower left", fontsize=10, - markerscale=0.5) + plt.xscale("log") + plt.yscale("log") + plt.legend(legend_plot, loc="lower left", fontsize=10, markerscale=0.5) plt.xlabel("Energy (MeV)", fontsize=12) plt.ylabel("$\sigma$ (barn)", fontsize=12) plt.xticks(fontsize=12) plt.yticks(fontsize=12) - plt.title(isotope_name + ' ' + MT + ' (' + ENDF_X4_dict[i] + ')', - fontsize=12) + plt.title( + isotope_name + " " + MT + " (" + ENDF_X4_dict[i] + ")", fontsize=12 + ) plt.show(block=False) - print(' Cross Section printed') + print(" Cross Section printed") diff --git a/jade/xsdirpyne.py b/jade/xsdirpyne.py index f9cc7bea..e20d3b58 100644 --- a/jade/xsdirpyne.py +++ b/jade/xsdirpyne.py @@ -30,10 +30,10 @@ authors and should not be interpreted as representing official policies, either expressed or implied, of the stakeholders of the PyNE project or the employers of PyNE developers. """ -import os import math -from typing import List, Tuple +import os import sys +from typing import List, Tuple class Xsdir(object): @@ -67,7 +67,7 @@ def __init__(self, filename): filename : str Path to xsdir file. """ - self.f = open(filename, 'r') + self.f = open(filename, "r") self.filename = os.path.abspath(filename) self.directory = os.path.dirname(filename) self.awr = {} @@ -85,8 +85,7 @@ def __init__(self, filename): self.tablenames = tablenames def read(self): - """Populate the Xsdir object by reading the file. - """ + """Populate the Xsdir object by reading the file.""" # Go to beginning of file self.f.seek(0) @@ -94,33 +93,32 @@ def read(self): line = self.f.readline() words = line.split() if words: - if words[0].lower().startswith('datapath'): - index = line.index('=') - self.datapath = line[index+1:].strip() + if words[0].lower().startswith("datapath"): + index = line.index("=") + self.datapath = line[index + 1 :].strip() self.f.readline() - # Read second section line = self.f.readline() words = line.split() assert len(words) == 3 - assert words[0].lower() == 'atomic' - assert words[1].lower() == 'weight' - assert words[2].lower() == 'ratios' + assert words[0].lower() == "atomic" + assert words[1].lower() == "weight" + assert words[2].lower() == "ratios" while True: line = self.f.readline() words = line.split() # Check for end of second section - if len(words) % 2 != 0 or words[0] == 'directory': + if len(words) % 2 != 0 or words[0] == "directory": break for zaid, awr in zip(words[::2], words[1::2]): self.awr[zaid] = awr # Read third section - while words[0] != 'directory': + while words[0] != "directory": words = self.f.readline().split() while True: @@ -129,7 +127,7 @@ def read(self): break # Handle continuation lines - while words[-1] == '+': + while words[-1] == "+": extraWords = self.f.readline().split() words = words[:-1] + extraWords # Correction assert len(words) >= 7 @@ -155,13 +153,17 @@ def read(self): if len(words) > 9: table.temperature = float(words[9]) if len(words) > 10: - table.ptable = (words[10] == 'ptable') + table.ptable = words[10] == "ptable" except ValueError: problem_line = words[0] - print("Error reading line corresponding to {}, passing for now, please adjust XSDIR file".format(problem_line)) + print( + "Error reading line corresponding to {}, passing for now, please adjust XSDIR file".format( + problem_line + ) + ) pass - def find_table(self, name, mode='default'): + def find_table(self, name, mode="default"): """Find all tables for a given ZIAD. *Modified for JADE, a bug was corrected since table.name do not find natural zaids. @@ -180,11 +182,11 @@ def find_table(self, name, mode='default'): tables : list All XsdirTable objects for a given ZIAD. """ - if mode == 'exact': + if mode == "exact": # Faster, checks for the exact name ans = self._exact_loop(name, self.tablenames) - elif mode == 'default': + elif mode == "default": # Checks all available libraries for the zaid tables = [] for table in self: @@ -194,7 +196,7 @@ def find_table(self, name, mode='default'): ans = tables - elif mode == 'default-fast': + elif mode == "default-fast": ans = self._all_fast_loop(name, self.tablenames) return ans @@ -202,7 +204,7 @@ def find_table(self, name, mode='default'): @staticmethod def _exact_loop(name: str, tablenames: List[Tuple[str, str]]) -> bool: for zaidname, libname in tablenames: - if name == zaidname+'.'+libname: + if name == zaidname + "." + libname: return True return False @@ -216,7 +218,7 @@ def _all_fast_loop(name: str, tablenames: List[Tuple[str, str]]) -> List[str]: return libs -################# Added by Davide Laghi ############################### + ################# Added by Davide Laghi ############################### def find_zaids(self, lib): """Find all zaids for a given library. @@ -234,12 +236,13 @@ def find_zaids(self, lib): tables = [] for table in self: - tablelib = table.name.split('.')[-1] + tablelib = table.name.split(".")[-1] if lib == tablelib: tables.append(table) return tables -############################################################################ + + ############################################################################ def to_xsdata(self, filename): """Writes a Serpent xsdata file for all continuous energy xs tables. @@ -250,10 +253,10 @@ def to_xsdata(self, filename): The output filename. """ - xsdata = open(filename, 'w') + xsdata = open(filename, "w") for table in self.tables: if table.serpent_type == 1: - xsdata.write(table.to_serpent() + '\n') + xsdata.write(table.to_serpent() + "\n") xsdata.close() def __iter__(self): @@ -269,9 +272,11 @@ def nucs(self): valid_nucs : set The valid nuclide ids. """ - valid_nucs = set(nucname.id(table.name.split('.')[0]) - for table in self.tables if - nucname.isnuclide(table.name.split('.')[0])) + valid_nucs = set( + nucname.id(table.name.split(".")[0]) + for table in self.tables + if nucname.isnuclide(table.name.split(".")[0]) + ) return valid_nucs @@ -279,6 +284,7 @@ class SerpentXsdir(Xsdir): """ Serpent Xsdir class """ + def read(self): for i, line in enumerate(self.f): if i % 2 == 0: @@ -288,22 +294,23 @@ def read(self): words = line.split() if len(words) > 0: table.name = words[0] - table.awr = float(words[5])/1.0086649670000 + table.awr = float(words[5]) / 1.0086649670000 table.filename = words[8] - table.temperature = float(words[6])/1.1604518025685E+10 + table.temperature = float(words[6]) / 1.1604518025685e10 class OpenMCXsdir(Xsdir): """ OpenMC Xsdir class """ + def __init__(self, filename, libmanager, library): """Parameters ---------- filename : str Path to xsdir file. """ - self.f = open(filename, 'r') + self.f = open(filename, "r") self.filename = os.path.abspath(filename) self.directory = os.path.dirname(filename) self.tables = [] @@ -322,18 +329,20 @@ def __init__(self, filename, libmanager, library): def read(self, libmanager, library): for i, line in enumerate(self.f): - if '.. - """ + """Returns the name of the table entry ..""" return self.name @property def serpent_type(self): """Converts cross section table type to Serpent format: - :1: continuous energy (c). - :2: dosimetry table (y). - :3: termal (t). + :1: continuous energy (c). + :2: dosimetry table (y). + :3: termal (t). """ - if self.name.endswith('c'): + if self.name.endswith("c"): return 1 - elif self.name.endswith('y'): + elif self.name.endswith("y"): return 2 - elif self.name.endswith('t'): + elif self.name.endswith("t"): return 3 else: return None @@ -414,17 +422,17 @@ def metastable(self): otherwise. """ # Only valid for neutron cross-sections - if not self.name.endswith('c'): + if not self.name.endswith("c"): return # Handle special case of Am-242 and Am-242m - if self.zaid == '95242': + if self.zaid == "95242": return 1 - elif self.zaid == '95642': + elif self.zaid == "95642": return 0 # All other cases - A = int(self.name.split('.')[0]) % 1000 + A = int(self.name.split(".")[0]) % 1000 if A > 600: return 1 else: @@ -432,11 +440,10 @@ def metastable(self): @property def zaid(self): - """Returns the ZIAD of the nuclide. - """ - return self.name[:self.name.find('.')] + """Returns the ZIAD of the nuclide.""" + return self.name[: self.name.find(".")] - def to_serpent(self, directory=''): + def to_serpent(self, directory=""): """Converts table to serpent format. Parameters @@ -446,14 +453,19 @@ def to_serpent(self, directory=''): """ # Adjust directory if directory: - if not directory.endswith('/'): - directory = directory.strip() + '/' + if not directory.endswith("/"): + directory = directory.strip() + "/" return "{0} {0} {1} {2} {3} {4} {5:.11e} {6} {7}".format( self.name, - self.serpent_type, self.zaid, 1 if self.metastable else 0, - self.awr, self.temperature/8.6173423e-11, self.filetype - 1, - directory + self.filename) + self.serpent_type, + self.zaid, + 1 if self.metastable else 0, + self.awr, + self.temperature / 8.6173423e-11, + self.filetype - 1, + directory + self.filename, + ) def __repr__(self): return "".format(self.name) @@ -482,13 +494,13 @@ def __repr__(self): # if serpent_value == '': # self.serpent_data[library] = None # else: -# self.serpent_data[library] = SerpentXsdir(serpent_value) +# self.serpent_data[library] = SerpentXsdir(serpent_value) # openmc_value = lib.at[i, "OpenMC"] # if openmc_value == '': # self.openmc_data[library] = None # else: # self.openmc_data[library] = OpenMCXsdir(openmc_value, -# libmanager, library) +# libmanager, library) # d1s_value = lib.at[i, "d1S"] # if d1s_value == '': # self.d1s_data[library] = None From 69bb5b5cdbfd4eea76a00a2bc3db27506278869e Mon Sep 17 00:00:00 2001 From: AlbertoBittes <116062815+AlbertoBittes@users.noreply.github.com> Date: Mon, 19 Feb 2024 17:22:18 +0100 Subject: [PATCH 02/18] New configuration file + no printing dataframes + documentation --- docs/source/dev/insertbenchmarks.rst | 8 +- jade/default_settings/Config.xlsx | Bin 15278 -> 15176 bytes jade/excelsupport.py | 230 +++++++++++++++------------ 3 files changed, 132 insertions(+), 106 deletions(-) diff --git a/docs/source/dev/insertbenchmarks.rst b/docs/source/dev/insertbenchmarks.rst index e5381935..89cd5e76 100644 --- a/docs/source/dev/insertbenchmarks.rst +++ b/docs/source/dev/insertbenchmarks.rst @@ -191,4 +191,10 @@ in the following page of the ``Atlas``. To get this kind of plots is enough to follow the same steps mentioned in :ref:`insbin`, but the class ``MultipleSpectrumOutput`` must be used. All the other parameters are set in -the related configuration file (see :ref:`multspectrumconfig`) \ No newline at end of file +the related configuration file (see :ref:`multspectrumconfig`) + +In the configuration files, the user can also set the factor by which the experimental data +and the MCNP results are multiplied. The factor is set in the ``\Configuration\Benchmarks Configuration\.xlsx`` +configuration file; the factor is set in the ``Multiplying factor`` column, for +each individual tally. This is useful to avoid superposition of the plots from different +tallies, and to have a direct comparison of the differences between different cases. \ No newline at end of file diff --git a/jade/default_settings/Config.xlsx b/jade/default_settings/Config.xlsx index b324648b315f3eeba8c323099be2865b4285fd2b..469bf65c12eb46cda7ece5c081725ac3ef625f22 100644 GIT binary patch delta 8034 zcmZ9RWmMkUwuW(ccX!tocXxM(BE_8oCAby+KHQx`ahKvwix+oyFK)Mc-+RwK=j2C5 zveui-jEt2hbI!NQd)TYy3J!4GlPcYWf`I6UgMdJXfPnCEVE1-*v$t?|wrBHkbSTnx zbY9}XcongG>$$p1z?V=cEWxGKvi!*0;CYH)G)fch<9YJal|p;=t<#-COdQH2j42%l(@PLdMvI2)g9YZMskg2Ud7%b&A{HBL>;=HhdO7eg&u+t9 zmSe3ULJ5KKA(XrF%Vg6JnnHd?!MZ#s7WXo@0`qb_FMS4uX|6)8{gqo1`Wp9M7!&Hy zBVhtJ5gWwV4;s5#2fUF5S+;qm))fqf4MLyLjZ}VVYU@S)L=H^j9RKYO9j%@dx*e7f z{gW@$xLsI_`5yMdo0I_f?nTc*>X=+FHKH-@37>b$dsujHJmj_dp7CqE`-KS2x{k+) z5^8gW)`hrE4<7SEQ0sWb!pP27xI`G*{QX2hrk@p6o`d#5p|lGTg)ti(eLMvE zh)Um>brzLK!u%$>BZmb>CFZKJZVeFm374R4&fFTMgOD?H$y@Y7uP=d__v>&kCXVul 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z$E`fw^eYr&du0d!fH)7C3VO}Shd=Ec_gw1_sOXmm7a|V0{W8*9alOvCGYRq`w7&XR z$Dgs+|4N9pZEQ9ONdIeA$FuW(f?kjR&I=;?$IF9)0=_BMe=dgi@fdtKZ|)ur;Xf|K zzaf@*bUsF+f4Y7Do=?L0`z2Ok9`pY|(eYXQ!Z6tE V@$3A8Fj!pi!~)a^@VtK^{}1WkXz&04 diff --git a/jade/excelsupport.py b/jade/excelsupport.py index 399e2fe3..19d7fb97 100644 --- a/jade/excelsupport.py +++ b/jade/excelsupport.py @@ -68,29 +68,29 @@ def insert_df(startrow, startcolumn, df, ws, header=True): columns = list(df.columns) values = df.values if header: - for i, column in enumerate(range(startcolumn, - startcolumn+len(columns))): + for i, column in enumerate(range(startcolumn, startcolumn + len(columns))): value = columns[i] try: - ws.cell(column=column, row=startrow,value=value) - #ws.range((startrow, column)).value = value + ws.cell(column=column, row=startrow, value=value) + # ws.range((startrow, column)).value = value except (AttributeError, ValueError) as e: print(e) - print('Warning! header not printes: column,value', - column, value) - startrow = startrow+1 + print("Warning! header not printes: column,value", column, value) + startrow = startrow + 1 - for i, row in enumerate(range(startrow, startrow+len(df))): - for j, column in enumerate(range(startcolumn, - startcolumn+len(df.columns))): + for i, row in enumerate(range(startrow, startrow + len(df))): + for j, column in enumerate(range(startcolumn, startcolumn + len(df.columns))): value = values[i][j] try: - ws.cell(column=column,row=row,value=value) - #ws.range((row, column)).value = value + ws.cell(column=column, row=row, value=value) + # ws.range((row, column)).value = value except (AttributeError, ValueError) as e: print(e) - print('Warning! value not printed: row, column, value', row, - column, value) + print( + "Warning! value not printed: row, column, value", row, column, value + ) + + def single_excel_writer(self, outpath, lib, testname, tallies, stats=None): """ Produces single library summary excel file using XLSXwriter @@ -114,39 +114,39 @@ def single_excel_writer(self, outpath, lib, testname, tallies, stats=None): """ writer = pd.ExcelWriter(outpath, engine="xlsxwriter") - #for df in (tallies, errors): - #df.set_index("Zaid", inplace=True) + # for df in (tallies, errors): + # df.set_index("Zaid", inplace=True) startrow = 8 startcol = 1 max_len = 0 max_width = 0 df_positions = [] - - print(tallies) for tally, results in tallies.items(): - #print(results) + # print(results) tally_len, tally_width = results["Value"].shape - df_positions.append([startrow,startcol]) - #print(pd.Series(results["title"])) - #pd.Series(results["title"]).to_excel(writer, startrow=startrow, startcol=startcol+1, sheet_name="Values", index=False, header=False) - results["Value"].to_excel(writer, startrow=startrow+1, startcol=startcol, sheet_name="Values") - results["Error"].to_excel(writer, startrow=startrow+1, startcol=startcol, sheet_name="Errors") + df_positions.append([startrow, startcol]) + # print(pd.Series(results["title"])) + # pd.Series(results["title"]).to_excel(writer, startrow=startrow, startcol=startcol+1, sheet_name="Values", index=False, header=False) + results["Value"].to_excel( + writer, startrow=startrow + 1, startcol=startcol, sheet_name="Values" + ) + results["Error"].to_excel( + writer, startrow=startrow + 1, startcol=startcol, sheet_name="Errors" + ) startrow = startrow + tally_len + 3 max_len = max_len + tally_len + 3 if tally_width > max_width: - max_width = tally_width + max_width = tally_width - wb = writer.book - tal_sheet = writer.sheets["Values"] + wb = writer.book + tal_sheet = writer.sheets["Values"] err_sheet = writer.sheets["Errors"] if stats is not None: - #stats.set_index("Zaid", inplace=True) - stats.to_excel( - writer, startrow=8, startcol=1, sheet_name="Statistical Checks" - ) + # stats.set_index("Zaid", inplace=True) + stats.to_excel(writer, startrow=8, startcol=1, sheet_name="Statistical Checks") stat_sheet = writer.sheets["Statistical Checks"] stats_len, stats_width = stats.shape @@ -161,9 +161,7 @@ def single_excel_writer(self, outpath, lib, testname, tallies, stats=None): } ) tally_format = wb.add_format({"bg_color": "#D9D9D9"}) - merge_format = wb.add_format( - {"align": "center", "valign": "center", "border": 2} - ) + merge_format = wb.add_format({"align": "center", "valign": "center", "border": 2}) title_merge_format = wb.add_format( { "font_size": "36", @@ -200,14 +198,16 @@ def single_excel_writer(self, outpath, lib, testname, tallies, stats=None): "B3:L8", "{} RESULTS RECAP: TALLIES".format(testname), title_merge_format ) for tal in range(len(df_positions)): - tal_sheet.merge_range(df_positions[tal][0], - df_positions[tal][1] + 1, - df_positions[tal][0], - df_positions[tal][1] + 4, - list(tallies.values())[tal]["title"], - subtitle_merge_format) - #tal_sheet.merge_range("B8:C8", "ZAID", subtitle_merge_format) - #tal_sheet.merge_range("D8:L8", "TALLY", subtitle_merge_format) + tal_sheet.merge_range( + df_positions[tal][0], + df_positions[tal][1] + 1, + df_positions[tal][0], + df_positions[tal][1] + 4, + list(tallies.values())[tal]["title"], + subtitle_merge_format, + ) + # tal_sheet.merge_range("B8:C8", "ZAID", subtitle_merge_format) + # tal_sheet.merge_range("D8:L8", "TALLY", subtitle_merge_format) # Freeze title tal_sheet.freeze_panes(8, 2) @@ -226,15 +226,15 @@ def single_excel_writer(self, outpath, lib, testname, tallies, stats=None): # Row Heights tal_sheet.set_row(7, 31) - #tal_sheet.set_row(8, 73.25) - + # tal_sheet.set_row(8, 73.25) + tal_sheet.conditional_format( 10, 1, 8 + max_len, max_width + 1, {"type": "blanks", "format": oob_format}, - ) + ) # ERRORS # Title err_sheet.merge_range("B1:C2", "LIBRARY", subtitle_merge_format) @@ -243,14 +243,16 @@ def single_excel_writer(self, outpath, lib, testname, tallies, stats=None): "B3:L8", "{} RESULTS RECAP: ERRORS".format(testname), title_merge_format ) for tal in range(len(df_positions)): - err_sheet.merge_range(df_positions[tal][0], - df_positions[tal][1] + 1, - df_positions[tal][0], - df_positions[tal][1] + 4, - list(tallies.values())[tal]["title"], - subtitle_merge_format) - #err_sheet.merge_range("B8:C8", "ZAID", subtitle_merge_format) - #err_sheet.merge_range("D8:L8", "TALLY", subtitle_merge_format) + err_sheet.merge_range( + df_positions[tal][0], + df_positions[tal][1] + 1, + df_positions[tal][0], + df_positions[tal][1] + 4, + list(tallies.values())[tal]["title"], + subtitle_merge_format, + ) + # err_sheet.merge_range("B8:C8", "ZAID", subtitle_merge_format) + # err_sheet.merge_range("D8:L8", "TALLY", subtitle_merge_format) # Freeze title err_sheet.freeze_panes(8, 2) @@ -263,14 +265,13 @@ def single_excel_writer(self, outpath, lib, testname, tallies, stats=None): for i in range(8 + max_len, max_len + 50): err_sheet.set_row(i, None, oob_format) - # Column widths for errors, set up to 15th col by default to ensure title format correct err_sheet.set_column(1, 14, 20) err_sheet.set_column(1, max_width + 2, 20) # Row Heights err_sheet.set_row(7, 31) - #err_sheet.set_row(8, 73.25) + # err_sheet.set_row(8, 73.25) # Legend err_sheet.merge_range("N3:O3", "LEGEND", merge_format) @@ -392,8 +393,8 @@ def single_excel_writer(self, outpath, lib, testname, tallies, stats=None): "{} RESULTS RECAP: STATISTICAL CHECKS".format(testname), title_merge_format, ) - #stat_sheet.merge_range("B8:C8", "ZAID", subtitle_merge_format) - #stat_sheet.merge_range("D8:L8", "TALLY", subtitle_merge_format) + # stat_sheet.merge_range("B8:C8", "ZAID", subtitle_merge_format) + # stat_sheet.merge_range("D8:L8", "TALLY", subtitle_merge_format) # Freeze title stat_sheet.freeze_panes(8, 0) @@ -461,6 +462,7 @@ def single_excel_writer(self, outpath, lib, testname, tallies, stats=None): wb.close() + def comp_excel_writer(self, outpath, lib_to_comp, testname, comps, abs_diffs, std_devs): """ Produces single library summary excel file using XLSXwriter @@ -494,23 +496,32 @@ def comp_excel_writer(self, outpath, lib_to_comp, testname, comps, abs_diffs, st for i in range(len(comps.keys())): comp_len, comp_width = list(comps.values())[i]["Value"].shape - df_positions.append([startrow,startcol]) - list(comps.values())[i]["Value"].to_excel(writer, startrow=startrow+1, - startcol=startcol, - sheet_name="Comparisons (%)") - list(std_devs.values())[i]["Value"].to_excel(writer, startrow=startrow+1, - startcol=startcol, - sheet_name="Comparisons (std. dev.)") - list(abs_diffs.values())[i]["Value"].to_excel(writer, startrow=startrow+1, - startcol=startcol, - sheet_name="Comparisons (abs. diff.)") + df_positions.append([startrow, startcol]) + list(comps.values())[i]["Value"].to_excel( + writer, + startrow=startrow + 1, + startcol=startcol, + sheet_name="Comparisons (%)", + ) + list(std_devs.values())[i]["Value"].to_excel( + writer, + startrow=startrow + 1, + startcol=startcol, + sheet_name="Comparisons (std. dev.)", + ) + list(abs_diffs.values())[i]["Value"].to_excel( + writer, + startrow=startrow + 1, + startcol=startcol, + sheet_name="Comparisons (abs. diff.)", + ) startrow = startrow + comp_len + 3 max_len = max_len + comp_len + 3 if comp_width > max_width: max_width = comp_width - wb = writer.book + wb = writer.book comp_sheet = writer.sheets["Comparisons (%)"] std_dev_sheet = writer.sheets["Comparisons (std. dev.)"] absdiff_sheet = writer.sheets["Comparisons (abs. diff.)"] @@ -526,9 +537,7 @@ def comp_excel_writer(self, outpath, lib_to_comp, testname, comps, abs_diffs, st } ) tally_format = wb.add_format({"bg_color": "#D9D9D9"}) - merge_format = wb.add_format( - {"align": "center", "valign": "center", "border": 2} - ) + merge_format = wb.add_format({"align": "center", "valign": "center", "border": 2}) title_merge_format = wb.add_format( { "font_size": "36", @@ -568,14 +577,16 @@ def comp_excel_writer(self, outpath, lib_to_comp, testname, comps, abs_diffs, st "B3:L8", "{} RESULTS RECAP: COMPARISON (%)".format(testname), title_merge_format ) for tal in range(len(df_positions)): - comp_sheet.merge_range(df_positions[tal][0], - df_positions[tal][1] + 1, - df_positions[tal][0], - df_positions[tal][1] + 4, - list(comps.values())[tal]["title"], - subtitle_merge_format) - #comp_sheet.merge_range("B8:C8", "ZAID", subtitle_merge_format) - #comp_sheet.merge_range("D8:L8", "TALLY", subtitle_merge_format) + comp_sheet.merge_range( + df_positions[tal][0], + df_positions[tal][1] + 1, + df_positions[tal][0], + df_positions[tal][1] + 4, + list(comps.values())[tal]["title"], + subtitle_merge_format, + ) + # comp_sheet.merge_range("B8:C8", "ZAID", subtitle_merge_format) + # comp_sheet.merge_range("D8:L8", "TALLY", subtitle_merge_format) # Freeze title comp_sheet.freeze_panes(8, 2) @@ -594,7 +605,7 @@ def comp_excel_writer(self, outpath, lib_to_comp, testname, comps, abs_diffs, st # Row Heights comp_sheet.set_row(7, 31) - #comp_sheet.set_row(8, 73.25) + # comp_sheet.set_row(8, 73.25) # Legend comp_sheet.merge_range("N3:O3", "LEGEND", merge_format) @@ -613,7 +624,7 @@ def comp_excel_writer(self, outpath, lib_to_comp, testname, comps, abs_diffs, st 8 + max_len, max_width + 1, {"type": "blanks", "format": oob_format}, - ) + ) comp_sheet.conditional_format( 10, 2, @@ -763,17 +774,21 @@ def comp_excel_writer(self, outpath, lib_to_comp, testname, comps, abs_diffs, st absdiff_sheet.merge_range("B1:C2", "LIBRARY", subtitle_merge_format) absdiff_sheet.merge_range("D1:D2", lib_to_comp, subtitle_merge_format) absdiff_sheet.merge_range( - "B3:L8", "{} RESULTS RECAP: COMPARISON (Absolute Difference)".format(testname), title_merge_format + "B3:L8", + "{} RESULTS RECAP: COMPARISON (Absolute Difference)".format(testname), + title_merge_format, ) for tal in range(len(df_positions)): - absdiff_sheet.merge_range(df_positions[tal][0], - df_positions[tal][1] + 1, - df_positions[tal][0], - df_positions[tal][1] + 4, - list(comps.values())[tal]["title"], - subtitle_merge_format) - #absdiff_sheet.merge_range("B8:C8", "ZAID", subtitle_merge_format) - #absdiff_sheet.merge_range("D8:L8", "TALLY", subtitle_merge_format) + absdiff_sheet.merge_range( + df_positions[tal][0], + df_positions[tal][1] + 1, + df_positions[tal][0], + df_positions[tal][1] + 4, + list(comps.values())[tal]["title"], + subtitle_merge_format, + ) + # absdiff_sheet.merge_range("B8:C8", "ZAID", subtitle_merge_format) + # absdiff_sheet.merge_range("D8:L8", "TALLY", subtitle_merge_format) # Freeze title absdiff_sheet.freeze_panes(8, 2) @@ -786,14 +801,13 @@ def comp_excel_writer(self, outpath, lib_to_comp, testname, comps, abs_diffs, st for i in range(8 + max_len, max_len + 50): absdiff_sheet.set_row(i, None, oob_format) - # Column widths for errors, set up to 15th col by default to ensure title format correct absdiff_sheet.set_column(1, 14, 20) absdiff_sheet.set_column(1, max_width + 2, 20) # Row Heights absdiff_sheet.set_row(7, 31) - #absdiff_sheet.set_row(8, 73.25) + # absdiff_sheet.set_row(8, 73.25) # Legend absdiff_sheet.merge_range("N3:O3", "LEGEND", merge_format) @@ -821,17 +835,23 @@ def comp_excel_writer(self, outpath, lib_to_comp, testname, comps, abs_diffs, st std_dev_sheet.merge_range("B1:C2", "LIBRARY", subtitle_merge_format) std_dev_sheet.merge_range("D1:D2", lib_to_comp, subtitle_merge_format) std_dev_sheet.merge_range( - "B3:L8", "{} RESULTS RECAP: COMPARISON (Standard deviations from reference library)".format(testname), title_merge_format + "B3:L8", + "{} RESULTS RECAP: COMPARISON (Standard deviations from reference library)".format( + testname + ), + title_merge_format, ) for tal in range(len(df_positions)): - std_dev_sheet.merge_range(df_positions[tal][0], - df_positions[tal][1] + 1, - df_positions[tal][0], - df_positions[tal][1] + 4, - list(comps.values())[tal]["title"], - subtitle_merge_format) - #std_dev_sheet.merge_range("B8:C8", "ZAID", subtitle_merge_format) - #std_dev_sheet.merge_range("D8:L8", "TALLY", subtitle_merge_format) + std_dev_sheet.merge_range( + df_positions[tal][0], + df_positions[tal][1] + 1, + df_positions[tal][0], + df_positions[tal][1] + 4, + list(comps.values())[tal]["title"], + subtitle_merge_format, + ) + # std_dev_sheet.merge_range("B8:C8", "ZAID", subtitle_merge_format) + # std_dev_sheet.merge_range("D8:L8", "TALLY", subtitle_merge_format) # Freeze title std_dev_sheet.freeze_panes(8, 2) @@ -850,7 +870,7 @@ def comp_excel_writer(self, outpath, lib_to_comp, testname, comps, abs_diffs, st # Row Heights std_dev_sheet.set_row(7, 31) - #std_dev_sheet.set_row(8, 73.25) + # std_dev_sheet.set_row(8, 73.25) # Legend std_dev_sheet.merge_range("N3:O3", "LEGEND", merge_format) @@ -869,7 +889,7 @@ def comp_excel_writer(self, outpath, lib_to_comp, testname, comps, abs_diffs, st 8 + max_len, max_width + 1, {"type": "blanks", "format": oob_format}, - ) + ) std_dev_sheet.conditional_format( 10, 2, @@ -1013,6 +1033,6 @@ def comp_excel_writer(self, outpath, lib_to_comp, testname, comps, abs_diffs, st "maximum": 1, "format": green_cell_format, }, - ) + ) - wb.close() \ No newline at end of file + wb.close() From 35c77b801f3ae2c7f618d262234c999ae84bf927 Mon Sep 17 00:00:00 2001 From: Davide Laghi Date: Mon, 19 Feb 2024 17:28:15 +0100 Subject: [PATCH 03/18] status now support new structure for multitests (code last) --- jade/status.py | 20 +++++++++---------- .../mcnp}/Sphere_1001_H-1_m | 0 .../mcnp}/Sphere_1001_H-1_o | 0 .../mcnp}/Sphere_1001_H-1_o | 0 .../mcnp}/Sphere_1001_H-1_0 | 0 .../mcnp}/Sphere_1001_H-1_m | 0 .../mcnp}/Sphere_1001_H-1_0 | 0 .../mcnp}/Sphere_1001_H-1_m | 0 .../mcnp}/Sphere_1001_H-1_0 | 0 .../mcnp}/Sphere_1001_H-1_m | 0 .../mcnp}/Sphere_1001_H-1_0 | 0 .../mcnp}/Sphere_1001_H-1_m | 0 .../98c/FNG/{mcnp/FNG1 => FNG1/mcnp}/FNG1m | 0 .../98c/FNG/{mcnp/FNG2 => FNG2/mcnp}/FNG2m | 0 .../mcnp}/Oktavian_Alm | 0 .../99c/FNG/{mcnp/FNG1 => FNG1/mcnp}/FNG1m | 0 .../99c/FNG/{mcnp/FNG2 => FNG2/mcnp}/FNG2m | 0 .../mcnp}/Oktavian_Alm | 0 tests/status_test.py | 4 ++-- 19 files changed, 12 insertions(+), 12 deletions(-) rename tests/TestFiles/status/Simulations/00c/Sphere/{mcnp/Sphere_1001_H-1 => Sphere_1001_H-1/mcnp}/Sphere_1001_H-1_m (100%) rename tests/TestFiles/status/Simulations/00c/Sphere/{mcnp/Sphere_1001_H-1 => Sphere_1001_H-1/mcnp}/Sphere_1001_H-1_o (100%) rename tests/TestFiles/status/Simulations/00c/Sphere/{mcnp/Sphere_1002_H-2 => Sphere_1002_H-2/mcnp}/Sphere_1001_H-1_o (100%) rename tests/TestFiles/status/Simulations/30c/Sphere/{mcnp/Sphere_1001_H-1 => Sphere_1001_H-1/mcnp}/Sphere_1001_H-1_0 (100%) rename tests/TestFiles/status/Simulations/30c/Sphere/{mcnp/Sphere_1001_H-1 => Sphere_1001_H-1/mcnp}/Sphere_1001_H-1_m (100%) rename tests/TestFiles/status/Simulations/31c/Sphere/{mcnp/Sphere_1001_H-1 => Sphere_1001_H-1/mcnp}/Sphere_1001_H-1_0 (100%) rename tests/TestFiles/status/Simulations/31c/Sphere/{mcnp/Sphere_1001_H-1 => Sphere_1001_H-1/mcnp}/Sphere_1001_H-1_m (100%) rename tests/TestFiles/status/Simulations/32c/Sphere/{mcnp/Sphere_1001_H-1 => Sphere_1001_H-1/mcnp}/Sphere_1001_H-1_0 (100%) rename tests/TestFiles/status/Simulations/32c/Sphere/{mcnp/Sphere_1001_H-1 => Sphere_1001_H-1/mcnp}/Sphere_1001_H-1_m (100%) rename tests/TestFiles/status/Simulations/33c/Sphere/{mcnp/Sphere_1001_H-1 => Sphere_1001_H-1/mcnp}/Sphere_1001_H-1_0 (100%) rename tests/TestFiles/status/Simulations/33c/Sphere/{mcnp/Sphere_1001_H-1 => Sphere_1001_H-1/mcnp}/Sphere_1001_H-1_m (100%) rename tests/TestFiles/status/Simulations/98c/FNG/{mcnp/FNG1 => FNG1/mcnp}/FNG1m (100%) rename tests/TestFiles/status/Simulations/98c/FNG/{mcnp/FNG2 => FNG2/mcnp}/FNG2m (100%) rename tests/TestFiles/status/Simulations/98c/Oktavian/{mcnp/Oktavian_Al => Oktavian_Al/mcnp}/Oktavian_Alm (100%) rename tests/TestFiles/status/Simulations/99c/FNG/{mcnp/FNG1 => FNG1/mcnp}/FNG1m (100%) rename tests/TestFiles/status/Simulations/99c/FNG/{mcnp/FNG2 => FNG2/mcnp}/FNG2m (100%) rename tests/TestFiles/status/Simulations/99c/Oktavian/{mcnp/Oktavian_Al => Oktavian_Al/mcnp}/Oktavian_Alm (100%) diff --git a/jade/status.py b/jade/status.py index 1bc51e4e..a6fa173b 100644 --- a/jade/status.py +++ b/jade/status.py @@ -99,14 +99,14 @@ def update_run_status(self) -> dict: if test in MULTI_TEST: libraries[lib][test] = {} cp1 = os.path.join(cp, test) - for code in os.listdir(cp1): - libraries[lib][test][code] = {} - cp2 = os.path.join(cp1, code) - for zaid in os.listdir(cp2): - libraries[lib][test][code][zaid] = [] - cp3 = os.path.join(cp2, zaid) + for zaid in os.listdir(cp1): + libraries[lib][test][zaid] = {} + cp2 = os.path.join(cp1, zaid) + for code in os.listdir(cp2): + libraries[lib][test][zaid][code] = [] + cp3 = os.path.join(cp2, code) for file in os.listdir(cp3): - libraries[lib][test][code][zaid].append(file) + libraries[lib][test][zaid][code].append(file) else: libraries[lib][test] = {} cp1 = os.path.join(cp, test) @@ -469,18 +469,18 @@ def check_lib_run( # Check if benchmark folder exists try: # There could be two types of tests, single or multitest - test = self.run_tree[lib][testname][code] + test = self.run_tree[lib][testname] if testname in MULTI_TEST: # A single test not run in multitest cause for the # whole test not to be considered run flag_test_run = True for _, files in test.items(): - flag_run_zaid = self.check_test_run(files, code) + flag_run_zaid = self.check_test_run(files[code], code) if not flag_run_zaid: flag_test_run = False else: # Check if output is present - flag_test_run = self.check_test_run(test, code) + flag_test_run = self.check_test_run(test[code], code) # Append to the test runned if positive if flag_test_run: diff --git a/tests/TestFiles/status/Simulations/00c/Sphere/mcnp/Sphere_1001_H-1/Sphere_1001_H-1_m b/tests/TestFiles/status/Simulations/00c/Sphere/Sphere_1001_H-1/mcnp/Sphere_1001_H-1_m similarity index 100% rename from tests/TestFiles/status/Simulations/00c/Sphere/mcnp/Sphere_1001_H-1/Sphere_1001_H-1_m rename to tests/TestFiles/status/Simulations/00c/Sphere/Sphere_1001_H-1/mcnp/Sphere_1001_H-1_m diff --git a/tests/TestFiles/status/Simulations/00c/Sphere/mcnp/Sphere_1001_H-1/Sphere_1001_H-1_o b/tests/TestFiles/status/Simulations/00c/Sphere/Sphere_1001_H-1/mcnp/Sphere_1001_H-1_o similarity index 100% rename from tests/TestFiles/status/Simulations/00c/Sphere/mcnp/Sphere_1001_H-1/Sphere_1001_H-1_o rename to tests/TestFiles/status/Simulations/00c/Sphere/Sphere_1001_H-1/mcnp/Sphere_1001_H-1_o diff --git a/tests/TestFiles/status/Simulations/00c/Sphere/mcnp/Sphere_1002_H-2/Sphere_1001_H-1_o b/tests/TestFiles/status/Simulations/00c/Sphere/Sphere_1002_H-2/mcnp/Sphere_1001_H-1_o similarity index 100% rename from tests/TestFiles/status/Simulations/00c/Sphere/mcnp/Sphere_1002_H-2/Sphere_1001_H-1_o rename to tests/TestFiles/status/Simulations/00c/Sphere/Sphere_1002_H-2/mcnp/Sphere_1001_H-1_o diff --git a/tests/TestFiles/status/Simulations/30c/Sphere/mcnp/Sphere_1001_H-1/Sphere_1001_H-1_0 b/tests/TestFiles/status/Simulations/30c/Sphere/Sphere_1001_H-1/mcnp/Sphere_1001_H-1_0 similarity index 100% rename from tests/TestFiles/status/Simulations/30c/Sphere/mcnp/Sphere_1001_H-1/Sphere_1001_H-1_0 rename to tests/TestFiles/status/Simulations/30c/Sphere/Sphere_1001_H-1/mcnp/Sphere_1001_H-1_0 diff --git a/tests/TestFiles/status/Simulations/30c/Sphere/mcnp/Sphere_1001_H-1/Sphere_1001_H-1_m b/tests/TestFiles/status/Simulations/30c/Sphere/Sphere_1001_H-1/mcnp/Sphere_1001_H-1_m similarity index 100% rename from tests/TestFiles/status/Simulations/30c/Sphere/mcnp/Sphere_1001_H-1/Sphere_1001_H-1_m rename to tests/TestFiles/status/Simulations/30c/Sphere/Sphere_1001_H-1/mcnp/Sphere_1001_H-1_m diff --git a/tests/TestFiles/status/Simulations/31c/Sphere/mcnp/Sphere_1001_H-1/Sphere_1001_H-1_0 b/tests/TestFiles/status/Simulations/31c/Sphere/Sphere_1001_H-1/mcnp/Sphere_1001_H-1_0 similarity index 100% rename from tests/TestFiles/status/Simulations/31c/Sphere/mcnp/Sphere_1001_H-1/Sphere_1001_H-1_0 rename to tests/TestFiles/status/Simulations/31c/Sphere/Sphere_1001_H-1/mcnp/Sphere_1001_H-1_0 diff --git a/tests/TestFiles/status/Simulations/31c/Sphere/mcnp/Sphere_1001_H-1/Sphere_1001_H-1_m b/tests/TestFiles/status/Simulations/31c/Sphere/Sphere_1001_H-1/mcnp/Sphere_1001_H-1_m similarity index 100% rename from tests/TestFiles/status/Simulations/31c/Sphere/mcnp/Sphere_1001_H-1/Sphere_1001_H-1_m rename to tests/TestFiles/status/Simulations/31c/Sphere/Sphere_1001_H-1/mcnp/Sphere_1001_H-1_m diff --git a/tests/TestFiles/status/Simulations/32c/Sphere/mcnp/Sphere_1001_H-1/Sphere_1001_H-1_0 b/tests/TestFiles/status/Simulations/32c/Sphere/Sphere_1001_H-1/mcnp/Sphere_1001_H-1_0 similarity index 100% rename from tests/TestFiles/status/Simulations/32c/Sphere/mcnp/Sphere_1001_H-1/Sphere_1001_H-1_0 rename to tests/TestFiles/status/Simulations/32c/Sphere/Sphere_1001_H-1/mcnp/Sphere_1001_H-1_0 diff --git a/tests/TestFiles/status/Simulations/32c/Sphere/mcnp/Sphere_1001_H-1/Sphere_1001_H-1_m b/tests/TestFiles/status/Simulations/32c/Sphere/Sphere_1001_H-1/mcnp/Sphere_1001_H-1_m similarity index 100% rename from tests/TestFiles/status/Simulations/32c/Sphere/mcnp/Sphere_1001_H-1/Sphere_1001_H-1_m rename to tests/TestFiles/status/Simulations/32c/Sphere/Sphere_1001_H-1/mcnp/Sphere_1001_H-1_m diff --git a/tests/TestFiles/status/Simulations/33c/Sphere/mcnp/Sphere_1001_H-1/Sphere_1001_H-1_0 b/tests/TestFiles/status/Simulations/33c/Sphere/Sphere_1001_H-1/mcnp/Sphere_1001_H-1_0 similarity index 100% rename from tests/TestFiles/status/Simulations/33c/Sphere/mcnp/Sphere_1001_H-1/Sphere_1001_H-1_0 rename to tests/TestFiles/status/Simulations/33c/Sphere/Sphere_1001_H-1/mcnp/Sphere_1001_H-1_0 diff --git a/tests/TestFiles/status/Simulations/33c/Sphere/mcnp/Sphere_1001_H-1/Sphere_1001_H-1_m b/tests/TestFiles/status/Simulations/33c/Sphere/Sphere_1001_H-1/mcnp/Sphere_1001_H-1_m similarity index 100% rename from tests/TestFiles/status/Simulations/33c/Sphere/mcnp/Sphere_1001_H-1/Sphere_1001_H-1_m rename to tests/TestFiles/status/Simulations/33c/Sphere/Sphere_1001_H-1/mcnp/Sphere_1001_H-1_m diff --git a/tests/TestFiles/status/Simulations/98c/FNG/mcnp/FNG1/FNG1m b/tests/TestFiles/status/Simulations/98c/FNG/FNG1/mcnp/FNG1m similarity index 100% rename from tests/TestFiles/status/Simulations/98c/FNG/mcnp/FNG1/FNG1m rename to tests/TestFiles/status/Simulations/98c/FNG/FNG1/mcnp/FNG1m diff --git a/tests/TestFiles/status/Simulations/98c/FNG/mcnp/FNG2/FNG2m b/tests/TestFiles/status/Simulations/98c/FNG/FNG2/mcnp/FNG2m similarity index 100% rename from tests/TestFiles/status/Simulations/98c/FNG/mcnp/FNG2/FNG2m rename to tests/TestFiles/status/Simulations/98c/FNG/FNG2/mcnp/FNG2m diff --git a/tests/TestFiles/status/Simulations/98c/Oktavian/mcnp/Oktavian_Al/Oktavian_Alm b/tests/TestFiles/status/Simulations/98c/Oktavian/Oktavian_Al/mcnp/Oktavian_Alm similarity index 100% rename from tests/TestFiles/status/Simulations/98c/Oktavian/mcnp/Oktavian_Al/Oktavian_Alm rename to tests/TestFiles/status/Simulations/98c/Oktavian/Oktavian_Al/mcnp/Oktavian_Alm diff --git a/tests/TestFiles/status/Simulations/99c/FNG/mcnp/FNG1/FNG1m b/tests/TestFiles/status/Simulations/99c/FNG/FNG1/mcnp/FNG1m similarity index 100% rename from tests/TestFiles/status/Simulations/99c/FNG/mcnp/FNG1/FNG1m rename to tests/TestFiles/status/Simulations/99c/FNG/FNG1/mcnp/FNG1m diff --git a/tests/TestFiles/status/Simulations/99c/FNG/mcnp/FNG2/FNG2m b/tests/TestFiles/status/Simulations/99c/FNG/FNG2/mcnp/FNG2m similarity index 100% rename from tests/TestFiles/status/Simulations/99c/FNG/mcnp/FNG2/FNG2m rename to tests/TestFiles/status/Simulations/99c/FNG/FNG2/mcnp/FNG2m diff --git a/tests/TestFiles/status/Simulations/99c/Oktavian/mcnp/Oktavian_Al/Oktavian_Alm b/tests/TestFiles/status/Simulations/99c/Oktavian/Oktavian_Al/mcnp/Oktavian_Alm similarity index 100% rename from tests/TestFiles/status/Simulations/99c/Oktavian/mcnp/Oktavian_Al/Oktavian_Alm rename to tests/TestFiles/status/Simulations/99c/Oktavian/Oktavian_Al/mcnp/Oktavian_Alm diff --git a/tests/status_test.py b/tests/status_test.py index 1a34d24b..0e1305f5 100644 --- a/tests/status_test.py +++ b/tests/status_test.py @@ -164,8 +164,8 @@ def test_check_override_run(self, monkeypatch, def_config: Configuration): @pytest.mark.parametrize( ["code", "directory", "expected"], [ - ["mcnp", r"00c\Sphere\mcnp\Sphere_1001_H-1", True], - ["mcnp", r"00c\Sphere\mcnp\Sphere_1002_H-2", False], + ["mcnp", r"00c\Sphere\Sphere_1001_H-1\mcnp", True], + ["mcnp", r"00c\Sphere\Sphere_1002_H-2\mcnp", False], ], ) def test_check_test_run( From 5c8190ee0fa73eb9341d6112ec81052b619fcaca Mon Sep 17 00:00:00 2001 From: Davide Laghi Date: Mon, 19 Feb 2024 17:52:12 +0100 Subject: [PATCH 04/18] fixed sphere SDDR test --- tests/testrun_test.py | 16 ++++++++-------- 1 file changed, 8 insertions(+), 8 deletions(-) diff --git a/tests/testrun_test.py b/tests/testrun_test.py index 6805af09..849cf944 100644 --- a/tests/testrun_test.py +++ b/tests/testrun_test.py @@ -52,16 +52,16 @@ def LOGFILE(tmpdir): @pytest.fixture def LM(): df_rows = [ - ["99c", "sda", "", XSDIR_FILE], - ["98c", "acsdc", "", XSDIR_FILE], - ["21c", "adsadsa", "", XSDIR_FILE], - ["31c", "adsadas", "", XSDIR_FILE], - ["00c", "sdas", "", XSDIR_FILE], - ["71c", "sdasxcx", "", XSDIR_FILE], - ["81c", "sdasxcx", "yes", XSDIR_FILE], + ["99c", "sda", "", XSDIR_FILE, XSDIR_FILE], + ["98c", "acsdc", "", XSDIR_FILE, XSDIR_FILE], + ["21c", "adsadsa", "", XSDIR_FILE, None], + ["31c", "adsadas", "", XSDIR_FILE, None], + ["00c", "sdas", "", XSDIR_FILE, None], + ["71c", "sdasxcx", "", XSDIR_FILE, None], + ["81c", "sdasxcx", "yes", XSDIR_FILE, None], ] df_lib = pd.DataFrame(df_rows) - df_lib.columns = ["Suffix", "Name", "Default", "MCNP"] + df_lib.columns = ["Suffix", "Name", "Default", "MCNP", "d1S"] return LibManager( df_lib, activationfile=ACTIVATION_FILE, isotopes_file=ISOTOPES_FILE From 17aa4a2e90e034f6afd674e2024b785e8aec1dba Mon Sep 17 00:00:00 2001 From: Davide Laghi Date: Mon, 19 Feb 2024 18:11:52 +0100 Subject: [PATCH 05/18] remove API autogeneration --- docs/source/index.rst | 1 + 1 file changed, 1 insertion(+) diff --git a/docs/source/index.rst b/docs/source/index.rst index aec4aec4..cebc8a3f 100644 --- a/docs/source/index.rst +++ b/docs/source/index.rst @@ -52,6 +52,7 @@ GitHub repository `_. :caption: JADE API api/general +.. API not generated anymore for the moment api/initobjects api/inputgeneration api/postprocessing From 57e9497d3705aaa075df0023b440bca33e891b75 Mon Sep 17 00:00:00 2001 From: AlbertoBittes <116062815+AlbertoBittes@users.noreply.github.com> Date: Mon, 19 Feb 2024 18:33:18 +0100 Subject: [PATCH 06/18] fix default config --- jade/default_settings/Config.xlsx | Bin 15176 -> 15200 bytes jade/output.py | 230 ++++++++++++++++-------------- 2 files changed, 119 insertions(+), 111 deletions(-) diff --git a/jade/default_settings/Config.xlsx b/jade/default_settings/Config.xlsx index 469bf65c12eb46cda7ece5c081725ac3ef625f22..505b47ef21fa561fe5faea0d729a339c626edb81 100644 GIT binary patch delta 5284 zcmZXYbyO7X-^Q1eWs&YhkXX7wIwXaqq*J9kC3P28N?KxM?-BsKZ%>UG^Mm6zrv+Uxs1Ux#Mnl}hPPw!*MM)A#Tdn=0xcbD-jmcuj}cHbD-e8z39iG(tff$1 z>ALU1q$-k=kGs@NpSw=fp38dD>5kjE_Y03;Sr14|3q0afHD!pUQREh0BlX+xds?)N z4)5CewCv`GJw0SZ7n97pZqWpocUQ~pJCJJJVJys(`qF)w05_k6AVeN5*6J;h)NZ@i 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tallydata[tallynum], totalbin[tallynum] = self._create_dataframe(rows) return tallydata, totalbin @@ -1500,8 +1510,7 @@ def insert_df( try: ws.range(anchor).options(index=print_index, header=True).value = df - rng = ((startrow + 1, startcolumn), - (startrow + 1 + len(df), startcolumn)) + rng = ((startrow + 1, startcolumn), (startrow + 1 + len(df), startcolumn)) # Format values if requested if values_format is not None: rng_values = ( @@ -1513,8 +1522,7 @@ def insert_df( # Formatting ws.range(*rng).number_format = idx_format # idx formatting # Columns headers - anchor_columns = ( - anchor, (startrow, startcolumn + len(df.columns))) + anchor_columns = (anchor, (startrow, startcolumn + len(df.columns))) ws.range(*anchor_columns).api.Font.Size = cols_head_size ws.range(*anchor_columns).api.Font.Bold = True ws.range(*anchor_columns).color = (236, 236, 236) From d9e7a40c446803d57c6ee27baaede2f45e137234 Mon Sep 17 00:00:00 2001 From: alexvalentine94 Date: Mon, 19 Feb 2024 17:56:27 +0000 Subject: [PATCH 07/18] new sphere folder structure --- jade/testrun.py | 57 ++++++++++++++++++++++--------------------------- 1 file changed, 25 insertions(+), 32 deletions(-) diff --git a/jade/testrun.py b/jade/testrun.py index c75e094d..40a28a3c 100644 --- a/jade/testrun.py +++ b/jade/testrun.py @@ -453,7 +453,7 @@ def run_d1s( lib = list(self.lib.values())[0] elif isinstance(self.lib, str): if "-" in self.lib: - lib = self.lib.split("-")[0] + lib = self.lib.split("-")[0] else: lib = self.lib @@ -877,17 +877,6 @@ def generate_test(self, directory, libmanager, limit=None, lib=None): shutil.rmtree(motherdir) os.mkdir(motherdir) - # This can be removed once new folder path updated for all codes. - if self.d1s: - pass - # os.mkdir(os.path.join(motherdir, "d1s")) - if self.mcnp: - os.mkdir(os.path.join(motherdir, "mcnp")) - if self.serpent: - os.mkdir(os.path.join(motherdir, "serpent")) - if self.openmc: - os.mkdir(os.path.join(motherdir, "openmc")) - # GET SETTINGS # Zaids settings = os.path.join(self.test_conf_path, "ZaidSettings.csv") @@ -1042,8 +1031,9 @@ def generate_zaid_test( outfile, outdir = self._get_zaidtestname( testname, zaid, formula, addtag=addtag ) - outpath = os.path.join(motherdir, "mcnp", outdir) - os.mkdir(outpath) + + outpath = os.path.join(motherdir, outdir, "mcnp") + os.makedirs(outpath, exist_ok=True) outinpfile = os.path.join(outpath, outfile) newinp.write(outinpfile) @@ -1073,13 +1063,13 @@ def generate_zaid_test( outfile, outdir = self._get_zaidtestname( testname, zaid, formula, addtag=addtag ) - outpath = os.path.join(motherdir, "serpent", outdir) - os.mkdir(outpath) + outpath = os.path.join(motherdir, outdir, "serpent") + os.makedirs(outpath, exist_ok=True) outinpfile = os.path.join(outpath, outfile) newinp.write(outinpfile) if self.openmc: - # Create MCNP material card + # Create OpenMC material card submat = mat.SubMaterial("m1", [zaid]) material = mat.Material( [zaid], None, "m1", submaterials=[submat], density=density @@ -1097,8 +1087,8 @@ def generate_zaid_test( outfile, outdir = self._get_zaidtestname( testname, zaid, formula, addtag=addtag ) - outpath = os.path.join(motherdir, "openmc", outdir) - os.mkdir(outpath) + outpath = os.path.join(motherdir, outdir, "openmc") + os.makedirs(outpath, exist_ok=True) newinp.write(outpath, libmanager) @staticmethod @@ -1212,8 +1202,9 @@ def generate_material_test( # Write new input file outfile = testname + "_" + truename + "_" outdir = testname + "_" + truename - outpath = os.path.join(motherdir, "mcnp", outdir) - os.mkdir(outpath) + + outpath = os.path.join(motherdir, outdir, "mcnp") + os.makedirs(outpath, exist_ok=True) outinpfile = os.path.join(outpath, outfile) newinp.write(outinpfile) @@ -1240,8 +1231,9 @@ def generate_material_test( # Write new input file outfile = testname + "_" + truename + "_" outdir = testname + "_" + truename - outpath = os.path.join(motherdir, "serpent", outdir) - os.mkdir(outpath) + + outpath = os.path.join(motherdir, outdir, "serpent") + os.makedirs(outpath, exist_ok=True) outinpfile = os.path.join(outpath, outfile) newinp.write(outinpfile) @@ -1260,8 +1252,9 @@ def generate_material_test( # Write new input file outfile = testname + "_" + truename + "_" outdir = testname + "_" + truename - outpath = os.path.join(motherdir, "openmc", outdir) - os.mkdir(outpath) + + outpath = os.path.join(motherdir, outdir, "openmc") + os.makedirs(outpath, exist_ok=True) newinp.write(outpath, libmanager) def run(self, config, libmanager, runoption: str) -> None: @@ -1293,28 +1286,28 @@ def run(self, config, libmanager, runoption: str) -> None: ) if self.mcnp: - mcnp_directory = os.path.join(directory, "mcnp") + mcnp_directory = os.path.join(directory) if pd.isnull(config.mcnp_exec) is not True: for folder in tqdm(os.listdir(mcnp_directory)): - run_directory = os.path.join(mcnp_directory, folder) + run_directory = os.path.join(mcnp_directory, folder, "mcnp") self.run_mcnp( config, libmanager, folder + "_", run_directory, runoption ) if self.serpent: - serpent_directory = os.path.join(directory, "serpent") + serpent_directory = os.path.join(directory) if pd.isnull(config.serpent_exec) is not True: for folder in tqdm(os.listdir(serpent_directory)): - run_directory = os.path.join(serpent_directory, folder) + run_directory = os.path.join(serpent_directory, folder, "serpent") self.run_serpent( config, libmanager, folder + "_", run_directory, runoption ) if self.openmc: - openmc_directory = os.path.join(directory, "openmc") + openmc_directory = os.path.join(directory) if pd.isnull(config.openmc_exec) is not True: for folder in tqdm(os.listdir(openmc_directory)): - run_directory = os.path.join(openmc_directory, folder) + run_directory = os.path.join(openmc_directory, folder, "openmc") self.run_openmc( config, libmanager, folder + "_", run_directory, runoption ) @@ -1323,7 +1316,7 @@ def run(self, config, libmanager, runoption: str) -> None: class SphereTestSDDR(SphereTest): def __init__(self, *args, **keyargs): super().__init__(*args, **keyargs) - # Lib needs to be provided in the {activation lib}-{transportlib} + # Lib needs to be provided in the {activation lib}-{transportlib} format activationlib, transportlib = check_transport_activation(self.lib) self.activationlib = activationlib self.transportlib = transportlib From bd45cfb9827d47a9835f862eb5b8b82052ab67a4 Mon Sep 17 00:00:00 2001 From: Davide Laghi Date: Mon, 19 Feb 2024 19:04:37 +0100 Subject: [PATCH 08/18] check active codes for the lib selection --- jade/constants.py | 23 +++++++++++++++++++++++ jade/gui.py | 14 +++++++++----- jade/libmanager.py | 23 +++++++++++++++-------- 3 files changed, 47 insertions(+), 13 deletions(-) create mode 100644 jade/constants.py diff --git a/jade/constants.py b/jade/constants.py new file mode 100644 index 00000000..599f8c22 --- /dev/null +++ b/jade/constants.py @@ -0,0 +1,23 @@ +""" + +@author: Jade Development Team + +Copyright 2021, the JADE Development Team. All rights reserved. + +This file is part of JADE. + +JADE is free software: you can redistribute it and/or modify +it under the terms of the GNU General Public License as published by +the Free Software Foundation, either version 3 of the License, or +(at your option) any later version. + +JADE is distributed in the hope that it will be useful, +but WITHOUT ANY WARRANTY; without even the implied warranty of +MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the +GNU General Public License for more details. + +You should have received a copy of the GNU General Public License +along with JADE. If not, see . +""" + +CODES = {"MCNP": "mcnp", "Serpent": "serpent", "OpenMC": "openmc", "d1S": "d1s"} diff --git a/jade/gui.py b/jade/gui.py index f5838f6e..19dff875 100644 --- a/jade/gui.py +++ b/jade/gui.py @@ -42,6 +42,7 @@ version = __version__ POWERED_BY = "NIER, UNIBO, F4E, UKAEA" + def clear_screen(): if os.name == "nt": os.system("cls") @@ -130,7 +131,7 @@ def mainloop(session: Session): uty.restore_default_config(session) elif option == "trans": - newlib = session.lib_manager.select_lib() + newlib = session.lib_manager.select_lib(codes=["mcnp"]) if newlib == "back": mainloop(session) if newlib == "exit": @@ -182,7 +183,7 @@ def mainloop(session: Session): fraction_type = uty.input_with_options(message, options) materials = input(" Source materials (e.g. m1-m10): ") percentages = input(" Materials percentages (e.g. 0.1-0.9): ") - lib = session.lib_manager.select_lib() + lib = session.lib_manager.select_lib(codes=["mcnp"]) if lib == "back": mainloop(session) if lib == "exit": @@ -298,7 +299,8 @@ def comploop(session: Session): elif option == "assess": # Select and check library - lib = session.lib_manager.select_lib() + codes = list(session.check_active_tests("Run").keys()) + lib = session.lib_manager.select_lib(codes) if lib == "back": comploop(session) if lib == "exit": @@ -336,7 +338,8 @@ def comploop(session: Session): elif option == "continue": # Select and check library # Warning: this is done only for sphere test at the moment - lib = session.lib_manager.select_lib() + codes = list(session.check_active_tests("Run").keys()) + lib = session.lib_manager.select_lib(codes) if lib == "back": comploop(session) if lib == "exit": @@ -432,7 +435,8 @@ def exploop(session: Session): # Update the configuration file session.conf.read_settings() # Select and check library - lib = session.lib_manager.select_lib() + codes = list(session.check_active_tests("Run", exp=True).keys()) + lib = session.lib_manager.select_lib(codes) if lib == "back": comploop(session) if lib == "exit": diff --git a/jade/libmanager.py b/jade/libmanager.py index f7d01e53..62101425 100644 --- a/jade/libmanager.py +++ b/jade/libmanager.py @@ -467,15 +467,13 @@ def get_zaidnum(self, zaidformula): return zaidnum - def select_lib(self, code: str = "mcnp") -> str: + def select_lib(self, codes: list[str]) -> str: """ Prompt an library input selection with Xsdir availabilty check Returns ------- - lib : str - Library to assess. - code: str, optional + code: list[str], optional code for which the library is selected. default is MCNP """ @@ -492,8 +490,10 @@ def select_lib(self, code: str = "mcnp") -> str: while True: i += 1 lib = input(" Select library (e.g. 31c or 99c-31c): ") - if lib in self.libraries[code]: - break + # check that library is available in all requested codes + + if self._is_lib_available(lib, codes): + break # if the library is available for all codes, break loop elif lib[0] == "{": libs = json.loads(lib) @@ -502,7 +502,7 @@ def select_lib(self, code: str = "mcnp") -> str: tocheck.extend(list(libs.keys())) flag = True for val in tocheck: - if val not in self.libraries[code]: + if not self._is_lib_available(val, codes): print(error.format(val)) flag = False if flag: @@ -512,7 +512,7 @@ def select_lib(self, code: str = "mcnp") -> str: libs = lib.split("-") flag = True for val in libs: - if val not in self.libraries[code]: + if not self._is_lib_available(val, codes): print(error.format(val)) flag = False if flag: @@ -531,6 +531,13 @@ def select_lib(self, code: str = "mcnp") -> str: raise ValueError("Too many wrong inputs") return lib + def _is_lib_available(self, lib: str, codes: list[str]) -> bool: + flag_present = True + for code in codes: + if lib not in self.libraries[code]: + flag_present = False + return flag_present + def get_zaid_mass(self, zaid): """ Get the atomic mass of one zaid From e08b0824ff710fa8d6bd1c17151fce82f812a23d Mon Sep 17 00:00:00 2001 From: Davide Laghi Date: Tue, 20 Feb 2024 10:17:41 +0100 Subject: [PATCH 09/18] fixed utilites test --- jade/utilitiesgui.py | 2 +- tests/libmanager_test.py | 6 +++--- tests/utilitiesgui_test.py | 14 +++++++------- 3 files changed, 11 insertions(+), 11 deletions(-) diff --git a/jade/utilitiesgui.py b/jade/utilitiesgui.py index 905822c1..487d9a88 100644 --- a/jade/utilitiesgui.py +++ b/jade/utilitiesgui.py @@ -402,7 +402,7 @@ def get_reaction_file(session, outpath=None): message = " Please select a D1S input file: " filepath = select_inputfile(message) # Select the library - lib = session.lib_manager.select_lib() + lib = session.lib_manager.select_lib(codes=["d1s"]) # Generate a D1S input inputfile = D1S_Input.from_text(filepath) diff --git a/tests/libmanager_test.py b/tests/libmanager_test.py index ab840d70..fd5665d0 100644 --- a/tests/libmanager_test.py +++ b/tests/libmanager_test.py @@ -206,20 +206,20 @@ def test_get_zaidnum(self, lm): zaidnum = lm.get_zaidnum(zaid) assert zaidnum == "92235" - def test_select_lib(self, monkeypatch, lm): + def test_select_lib(self, monkeypatch, lm: LibManager): # monkeypatch the "input" function # Good trials for lib in ["31c", '{"21c": "31c", "00c": "71c"}', "21c-31c"]: monkeypatch.setattr("builtins.input", lambda _: lib) - selectedlib = lm.select_lib() + selectedlib = lm.select_lib(codes=["mcnp"]) assert selectedlib == lib # Not found for lib in ["44c", '{"21c": "44c", "44c": "71c"}', "21c-44c"]: monkeypatch.setattr("builtins.input", lambda _: lib) try: - selectedlib = lm.select_lib() + selectedlib = lm.select_lib(codes=["mcnp"]) print(lib) assert False except ValueError: diff --git a/tests/utilitiesgui_test.py b/tests/utilitiesgui_test.py index 92fc0f5f..a96fc673 100644 --- a/tests/utilitiesgui_test.py +++ b/tests/utilitiesgui_test.py @@ -43,15 +43,15 @@ class SessionMockup: def __init__(self, uti_path): df_rows = [ - ["99c", "sda", "", XSDIR_FILE], - ["98c", "acsdc", "", XSDIR_FILE], - ["21c", "adsadsa", "", XSDIR_FILE], - ["31c", "adsadas", "", XSDIR_FILE], - ["00c", "sdas", "yes", XSDIR_FILE], - ["71c", "sdasxcx", "", XSDIR_FILE], + ["99c", "sda", "", XSDIR_FILE, XSDIR_FILE], + ["98c", "acsdc", "", XSDIR_FILE, XSDIR_FILE], + ["21c", "adsadsa", "", XSDIR_FILE, None], + ["31c", "adsadas", "", XSDIR_FILE, None], + ["00c", "sdas", "yes", XSDIR_FILE, None], + ["71c", "sdasxcx", "", XSDIR_FILE, None], ] df_lib = pd.DataFrame(df_rows) - df_lib.columns = ["Suffix", "Name", "Default", "MCNP"] + df_lib.columns = ["Suffix", "Name", "Default", "MCNP", "d1S"] self.lib_manager = LibManager( df_lib, activationfile=ACTIVATION_FILE, isotopes_file=ISOTOPES_FILE ) From 46d396f1fd5798a0eaf6b1f7af15216b3d5207bf Mon Sep 17 00:00:00 2001 From: Davide Laghi Date: Tue, 20 Feb 2024 11:41:46 +0100 Subject: [PATCH 10/18] sphere gen test expanded for openmc and serp --- tests/TestFiles/libmanager/31c.xml | 242 + tests/TestFiles/libmanager/xsdir.serp | 7860 +++++++++++++++++ .../SphereTest/Sphere/openmc/geometry.xml | 8 + .../SphereTest/Sphere/openmc/settings.xml | 13 + .../SphereTest/Sphere/openmc/tallies.xml | 27 + .../SphereTest/Sphere/serpent/Sphere.i | 39 + tests/testrun_test.py | 29 +- 7 files changed, 8204 insertions(+), 14 deletions(-) create mode 100644 tests/TestFiles/libmanager/31c.xml create mode 100644 tests/TestFiles/libmanager/xsdir.serp create mode 100644 tests/TestFiles/testrun/SphereTest/Sphere/openmc/geometry.xml create mode 100644 tests/TestFiles/testrun/SphereTest/Sphere/openmc/settings.xml create mode 100644 tests/TestFiles/testrun/SphereTest/Sphere/openmc/tallies.xml create mode 100644 tests/TestFiles/testrun/SphereTest/Sphere/serpent/Sphere.i diff --git a/tests/TestFiles/libmanager/31c.xml b/tests/TestFiles/libmanager/31c.xml new file mode 100644 index 00000000..e8ad8c86 --- /dev/null +++ b/tests/TestFiles/libmanager/31c.xml @@ -0,0 +1,242 @@ + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + 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18036.31c 1 18036 0 35.967547 300 0 fendl31d_ACE/18Ar036 + 18038.31c 18038.31c 1 18038 0 37.962720 300 0 fendl31d_ACE/18Ar038 + Ar-38.31c 18038.31c 1 18038 0 37.962720 300 0 fendl31d_ACE/18Ar038 + 18040.31c 18040.31c 1 18040 0 39.962398 300 0 fendl31d_ACE/18Ar040 + Ar-40.31c 18040.31c 1 18040 0 39.962398 300 0 fendl31d_ACE/18Ar040 + 19039.31c 19039.31c 1 19039 0 38.963709 300 0 fendl31d_ACE/19K_039 + K-39.31c 19039.31c 1 19039 0 38.963709 300 0 fendl31d_ACE/19K_039 + 19039.31c 19039.31c 1 19039 0 38.963709 300 0 fendl31d_ACE/19K_039_ + K-39.31c 19039.31c 1 19039 0 38.963709 300 0 fendl31d_ACE/19K_039_ + 19040.31c 19040.31c 1 19040 0 39.964002 300 0 fendl31d_ACE/19K_040 + K-40.31c 19040.31c 1 19040 0 39.964002 300 0 fendl31d_ACE/19K_040 + 19041.31c 19041.31c 1 19041 0 40.961828 300 0 fendl31d_ACE/19K_041 + K-41.31c 19041.31c 1 19041 0 40.961828 300 0 fendl31d_ACE/19K_041 + 20040.31c 20040.31c 1 20040 0 39.962593 300 0 fendl31d_ACE/20Ca040 + Ca-40.31c 20040.31c 1 20040 0 39.962593 300 0 fendl31d_ACE/20Ca040 + 20042.31c 20042.31c 1 20042 0 41.958647 300 0 fendl31d_ACE/20Ca042 + Ca-42.31c 20042.31c 1 20042 0 41.958647 300 0 fendl31d_ACE/20Ca042 + 20043.31c 20043.31c 1 20043 0 42.958769 300 0 fendl31d_ACE/20Ca043 + Ca-43.31c 20043.31c 1 20043 0 42.958769 300 0 fendl31d_ACE/20Ca043 + 20044.31c 20044.31c 1 20044 0 43.955501 300 0 fendl31d_ACE/20Ca044 + Ca-44.31c 20044.31c 1 20044 0 43.955501 300 0 fendl31d_ACE/20Ca044 + 20046.31c 20046.31c 1 20046 0 45.953695 300 0 fendl31d_ACE/20Ca046 + Ca-46.31c 20046.31c 1 20046 0 45.953695 300 0 fendl31d_ACE/20Ca046 + 20048.31c 20048.31c 1 20048 0 47.952538 300 0 fendl31d_ACE/20Ca048 + Ca-48.31c 20048.31c 1 20048 0 47.952538 300 0 fendl31d_ACE/20Ca048 + 21045.31c 21045.31c 1 21045 0 44.955914 300 0 fendl31d_ACE/21Sc045 + Sc-45.31c 21045.31c 1 21045 0 44.955914 300 0 fendl31d_ACE/21Sc045 + 22046.31c 22046.31c 1 22046 0 45.952658 300 0 fendl31d_ACE/22Ti046 + Ti-46.31c 22046.31c 1 22046 0 45.952658 300 0 fendl31d_ACE/22Ti046 + 22047.31c 22047.31c 1 22047 0 46.951765 300 0 fendl31d_ACE/22Ti047 + Ti-47.31c 22047.31c 1 22047 0 46.951765 300 0 fendl31d_ACE/22Ti047 + 22048.31c 22048.31c 1 22048 0 47.947999 300 0 fendl31d_ACE/22Ti048 + Ti-48.31c 22048.31c 1 22048 0 47.947999 300 0 fendl31d_ACE/22Ti048 + 22049.31c 22049.31c 1 22049 0 48.947888 300 0 fendl31d_ACE/22Ti049 + Ti-49.31c 22049.31c 1 22049 0 48.947888 300 0 fendl31d_ACE/22Ti049 + 22050.31c 22050.31c 1 22050 0 49.944794 300 0 fendl31d_ACE/22Ti050 + Ti-50.31c 22050.31c 1 22050 0 49.944794 300 0 fendl31d_ACE/22Ti050 + 23050.31c 23050.31c 1 23050 0 49.947173 300 0 fendl31d_ACE/23V_050 + V-50.31c 23050.31c 1 23050 0 49.947173 300 0 fendl31d_ACE/23V_050 + 23051.31c 23051.31c 1 23051 0 50.943935 300 0 fendl31d_ACE/23V_051 + V-51.31c 23051.31c 1 23051 0 50.943935 300 0 fendl31d_ACE/23V_051 + 24050.31c 24050.31c 1 24050 0 49.946053 300 0 fendl31d_ACE/24Cr050 + Cr-50.31c 24050.31c 1 24050 0 49.946053 300 0 fendl31d_ACE/24Cr050 + 24052.31c 24052.31c 1 24052 0 51.940506 300 0 fendl31d_ACE/24Cr052 + Cr-52.31c 24052.31c 1 24052 0 51.940506 300 0 fendl31d_ACE/24Cr052 + 24053.31c 24053.31c 1 24053 0 52.940658 300 0 fendl31d_ACE/24Cr053 + Cr-53.31c 24053.31c 1 24053 0 52.940658 300 0 fendl31d_ACE/24Cr053 + 24054.31c 24054.31c 1 24054 0 53.938883 300 0 fendl31d_ACE/24Cr054 + Cr-54.31c 24054.31c 1 24054 0 53.938883 300 0 fendl31d_ACE/24Cr054 + 25055.31c 25055.31c 1 25055 0 54.938047 300 0 fendl31d_ACE/25Mn055 + Mn-55.31c 25055.31c 1 25055 0 54.938047 300 0 fendl31d_ACE/25Mn055 + 26054.31c 26054.31c 1 26054 0 53.939613 300 0 fendl31d_ACE/26Fe054 + Fe-54.31c 26054.31c 1 26054 0 53.939613 300 0 fendl31d_ACE/26Fe054 + 26056.31c 26056.31c 1 26056 0 55.934911 300 0 fendl31d_ACE/26Fe056 + Fe-56.31c 26056.31c 1 26056 0 55.934911 300 0 fendl31d_ACE/26Fe056 + 26057.31c 26057.31c 1 26057 0 56.935397 300 0 fendl31d_ACE/26Fe057 + Fe-57.31c 26057.31c 1 26057 0 56.935397 300 0 fendl31d_ACE/26Fe057 + 26058.31c 26058.31c 1 26058 0 57.933288 300 0 fendl31d_ACE/26Fe058 + Fe-58.31c 26058.31c 1 26058 0 57.933288 300 0 fendl31d_ACE/26Fe058 + 27059.31c 27059.31c 1 27059 0 58.933198 300 0 fendl31d_ACE/27Co059 + Co-59.31c 27059.31c 1 27059 0 58.933198 300 0 fendl31d_ACE/27Co059 + 28058.31c 28058.31c 1 28058 0 57.935698 300 0 fendl31d_ACE/28Ni058 + Ni-58.31c 28058.31c 1 28058 0 57.935698 300 0 fendl31d_ACE/28Ni058 + 28060.31c 28060.31c 1 28060 0 59.930789 300 0 fendl31d_ACE/28Ni060 + Ni-60.31c 28060.31c 1 28060 0 59.930789 300 0 fendl31d_ACE/28Ni060 + 28061.31c 28061.31c 1 28061 0 60.931433 300 0 fendl31d_ACE/28Ni061 + Ni-61.31c 28061.31c 1 28061 0 60.931433 300 0 fendl31d_ACE/28Ni061 + 28062.31c 28062.31c 1 28062 0 61.927994 300 0 fendl31d_ACE/28Ni062 + Ni-62.31c 28062.31c 1 28062 0 61.927994 300 0 fendl31d_ACE/28Ni062 + 28064.31c 28064.31c 1 28064 0 63.928177 300 0 fendl31d_ACE/28Ni064 + Ni-64.31c 28064.31c 1 28064 0 63.928177 300 0 fendl31d_ACE/28Ni064 + 29063.31c 29063.31c 1 29063 0 62.929599 300 0 fendl31d_ACE/29Cu063 + Cu-63.31c 29063.31c 1 29063 0 62.929599 300 0 fendl31d_ACE/29Cu063 + 29065.31c 29065.31c 1 29065 0 64.927764 300 0 fendl31d_ACE/29Cu065 + Cu-65.31c 29065.31c 1 29065 0 64.927764 300 0 fendl31d_ACE/29Cu065 + 30064.31c 30064.31c 1 30064 0 63.929186 300 0 fendl31d_ACE/30Zn064 + Zn-64.31c 30064.31c 1 30064 0 63.929186 300 0 fendl31d_ACE/30Zn064 + 30066.31c 30066.31c 1 30066 0 65.926037 300 0 fendl31d_ACE/30Zn066 + Zn-66.31c 30066.31c 1 30066 0 65.926037 300 0 fendl31d_ACE/30Zn066 + 30067.31c 30067.31c 1 30067 0 66.927140 300 0 fendl31d_ACE/30Zn067 + Zn-67.31c 30067.31c 1 30067 0 66.927140 300 0 fendl31d_ACE/30Zn067 + 30068.31c 30068.31c 1 30068 0 67.924810 300 0 fendl31d_ACE/30Zn068 + Zn-68.31c 30068.31c 1 30068 0 67.924810 300 0 fendl31d_ACE/30Zn068 + 30070.31c 30070.31c 1 30070 0 69.925295 300 0 fendl31d_ACE/30Zn070 + Zn-70.31c 30070.31c 1 30070 0 69.925295 300 0 fendl31d_ACE/30Zn070 + 31069.31c 31069.31c 1 31069 0 68.925708 300 0 fendl31d_ACE/31Ga069 + Ga-69.31c 31069.31c 1 31069 0 68.925708 300 0 fendl31d_ACE/31Ga069 + 31071.31c 31071.31c 1 31071 0 70.924705 300 0 fendl31d_ACE/31Ga071 + Ga-71.31c 31071.31c 1 31071 0 70.924705 300 0 fendl31d_ACE/31Ga071 + 32070.31c 32070.31c 1 32070 0 69.924251 300 0 fendl31d_ACE/32Ge070 + Ge-70.31c 32070.31c 1 32070 0 69.924251 300 0 fendl31d_ACE/32Ge070 + 32072.31c 32072.31c 1 32072 0 71.922089 300 0 fendl31d_ACE/32Ge072 + Ge-72.31c 32072.31c 1 32072 0 71.922089 300 0 fendl31d_ACE/32Ge072 + 32073.31c 32073.31c 1 32073 0 72.923463 300 0 fendl31d_ACE/32Ge073 + Ge-73.31c 32073.31c 1 32073 0 72.923463 300 0 fendl31d_ACE/32Ge073 + 32074.31c 32074.31c 1 32074 0 73.921182 300 0 fendl31d_ACE/32Ge074 + Ge-74.31c 32074.31c 1 32074 0 73.921182 300 0 fendl31d_ACE/32Ge074 + 32076.31c 32076.31c 1 32076 0 75.921406 300 0 fendl31d_ACE/32Ge076 + Ge-76.31c 32076.31c 1 32076 0 75.921406 300 0 fendl31d_ACE/32Ge076 + 35079.31c 35079.31c 1 35079 0 78.918341 300 0 fendl31d_ACE/35Br079 + Br-79.31c 35079.31c 1 35079 0 78.918341 300 0 fendl31d_ACE/35Br079 + 35081.31c 35081.31c 1 35081 0 80.916294 300 0 fendl31d_ACE/35Br081 + Br-81.31c 35081.31c 1 35081 0 80.916294 300 0 fendl31d_ACE/35Br081 + 39089.31c 39089.31c 1 39089 0 88.905848 300 0 fendl31d_ACE/39Y_089 + Y-89.31c 39089.31c 1 39089 0 88.905848 300 0 fendl31d_ACE/39Y_089 + 40090.31c 40090.31c 1 40090 0 89.904709 300 0 fendl31d_ACE/40Zr090 + Zr-90.31c 40090.31c 1 40090 0 89.904709 300 0 fendl31d_ACE/40Zr090 + 40091.31c 40091.31c 1 40091 0 90.906031 300 0 fendl31d_ACE/40Zr091 + Zr-91.31c 40091.31c 1 40091 0 90.906031 300 0 fendl31d_ACE/40Zr091 + 40092.31c 40092.31c 1 40092 0 91.905013 300 0 fendl31d_ACE/40Zr092 + Zr-92.31c 40092.31c 1 40092 0 91.905013 300 0 fendl31d_ACE/40Zr092 + 40094.31c 40094.31c 1 40094 0 93.906002 300 0 fendl31d_ACE/40Zr094 + Zr-94.31c 40094.31c 1 40094 0 93.906002 300 0 fendl31d_ACE/40Zr094 + 40096.31c 40096.31c 1 40096 0 95.908278 300 0 fendl31d_ACE/40Zr096 + Zr-96.31c 40096.31c 1 40096 0 95.908278 300 0 fendl31d_ACE/40Zr096 + 41093.31c 41093.31c 1 41093 0 92.906383 300 0 fendl31d_ACE/41Nb093 + Nb-93.31c 41093.31c 1 41093 0 92.906383 300 0 fendl31d_ACE/41Nb093 + 42092.31c 42092.31c 1 42092 0 91.906816 300 0 fendl31d_ACE/42Mo092 + Mo-92.31c 42092.31c 1 42092 0 91.906816 300 0 fendl31d_ACE/42Mo092 + 42094.31c 42094.31c 1 42094 0 93.905095 300 0 fendl31d_ACE/42Mo094 + Mo-94.31c 42094.31c 1 42094 0 93.905095 300 0 fendl31d_ACE/42Mo094 + 42095.31c 42095.31c 1 42095 0 94.905847 300 0 fendl31d_ACE/42Mo095 + Mo-95.31c 42095.31c 1 42095 0 94.905847 300 0 fendl31d_ACE/42Mo095 + 42096.31c 42096.31c 1 42096 0 95.904682 300 0 fendl31d_ACE/42Mo096 + Mo-96.31c 42096.31c 1 42096 0 95.904682 300 0 fendl31d_ACE/42Mo096 + 42097.31c 42097.31c 1 42097 0 96.906024 300 0 fendl31d_ACE/42Mo097 + Mo-97.31c 42097.31c 1 42097 0 96.906024 300 0 fendl31d_ACE/42Mo097 + 42098.31c 42098.31c 1 42098 0 97.905413 300 0 fendl31d_ACE/42Mo098 + Mo-98.31c 42098.31c 1 42098 0 97.905413 300 0 fendl31d_ACE/42Mo098 + 42100.31c 42100.31c 1 42100 0 99.907478 300 0 fendl31d_ACE/42Mo100 + Mo-100.31c 42100.31c 1 42100 0 99.907478 300 0 fendl31d_ACE/42Mo100 + 45103.31c 45103.31c 1 45103 0 102.905513 300 0 fendl31d_ACE/45Rh103 + Rh-103.31c 45103.31c 1 45103 0 102.905513 300 0 fendl31d_ACE/45Rh103 + 47107.31c 47107.31c 1 47107 0 106.905374 300 0 fendl31d_ACE/47Ag107 + Ag-107.31c 47107.31c 1 47107 0 106.905374 300 0 fendl31d_ACE/47Ag107 + 47109.31c 47109.31c 1 47109 0 108.904548 300 0 fendl31d_ACE/47Ag109 + Ag-109.31c 47109.31c 1 47109 0 108.904548 300 0 fendl31d_ACE/47Ag109 + 48106.31c 48106.31c 1 48106 0 105.906796 300 0 fendl31d_ACE/48Cd106 + Cd-106.31c 48106.31c 1 48106 0 105.906796 300 0 fendl31d_ACE/48Cd106 + 48108.31c 48108.31c 1 48108 0 107.903952 300 0 fendl31d_ACE/48Cd108 + Cd-108.31c 48108.31c 1 48108 0 107.903952 300 0 fendl31d_ACE/48Cd108 + 48110.31c 48110.31c 1 48110 0 109.903008 300 0 fendl31d_ACE/48Cd110 + Cd-110.31c 48110.31c 1 48110 0 109.903008 300 0 fendl31d_ACE/48Cd110 + 48111.31c 48111.31c 1 48111 0 110.903722 300 0 fendl31d_ACE/48Cd111 + Cd-111.31c 48111.31c 1 48111 0 110.903722 300 0 fendl31d_ACE/48Cd111 + 48112.31c 48112.31c 1 48112 0 111.903309 300 0 fendl31d_ACE/48Cd112 + Cd-112.31c 48112.31c 1 48112 0 111.903309 300 0 fendl31d_ACE/48Cd112 + 48113.31c 48113.31c 1 48113 0 112.904407 300 0 fendl31d_ACE/48Cd113 + Cd-113.31c 48113.31c 1 48113 0 112.904407 300 0 fendl31d_ACE/48Cd113 + 48114.31c 48114.31c 1 48114 0 113.903491 300 0 fendl31d_ACE/48Cd114 + Cd-114.31c 48114.31c 1 48114 0 113.903491 300 0 fendl31d_ACE/48Cd114 + 48116.31c 48116.31c 1 48116 0 115.904762 300 0 fendl31d_ACE/48Cd116 + Cd-116.31c 48116.31c 1 48116 0 115.904762 300 0 fendl31d_ACE/48Cd116 + 50112.31c 50112.31c 1 50112 0 111.905326 300 0 fendl31d_ACE/50Sn112 + Sn-112.31c 50112.31c 1 50112 0 111.905326 300 0 fendl31d_ACE/50Sn112 + 50114.31c 50114.31c 1 50114 0 113.902785 300 0 fendl31d_ACE/50Sn114 + Sn-114.31c 50114.31c 1 50114 0 113.902785 300 0 fendl31d_ACE/50Sn114 + 50115.31c 50115.31c 1 50115 0 114.903078 300 0 fendl31d_ACE/50Sn115 + Sn-115.31c 50115.31c 1 50115 0 114.903078 300 0 fendl31d_ACE/50Sn115 + 50116.31c 50116.31c 1 50116 0 115.901657 300 0 fendl31d_ACE/50Sn116 + Sn-116.31c 50116.31c 1 50116 0 115.901657 300 0 fendl31d_ACE/50Sn116 + 50117.31c 50117.31c 1 50117 0 116.902958 300 0 fendl31d_ACE/50Sn117 + Sn-117.31c 50117.31c 1 50117 0 116.902958 300 0 fendl31d_ACE/50Sn117 + 50118.31c 50118.31c 1 50118 0 117.901839 300 0 fendl31d_ACE/50Sn118 + Sn-118.31c 50118.31c 1 50118 0 117.901839 300 0 fendl31d_ACE/50Sn118 + 50119.31c 50119.31c 1 50119 0 118.903444 300 0 fendl31d_ACE/50Sn119 + Sn-119.31c 50119.31c 1 50119 0 118.903444 300 0 fendl31d_ACE/50Sn119 + 50120.31c 50120.31c 1 50120 0 119.902201 300 0 fendl31d_ACE/50Sn120 + Sn-120.31c 50120.31c 1 50120 0 119.902201 300 0 fendl31d_ACE/50Sn120 + 50122.31c 50122.31c 1 50122 0 121.903213 300 0 fendl31d_ACE/50Sn122 + Sn-122.31c 50122.31c 1 50122 0 121.903213 300 0 fendl31d_ACE/50Sn122 + 50124.31c 50124.31c 1 50124 0 123.905413 300 0 fendl31d_ACE/50Sn124 + Sn-124.31c 50124.31c 1 50124 0 123.905413 300 0 fendl31d_ACE/50Sn124 + 51121.31c 51121.31c 1 51121 0 120.903822 300 0 fendl31d_ACE/51Sb121 + Sb-121.31c 51121.31c 1 51121 0 120.903822 300 0 fendl31d_ACE/51Sb121 + 51123.31c 51123.31c 1 51123 0 122.905826 300 0 fendl31d_ACE/51Sb123 + Sb-123.31c 51123.31c 1 51123 0 122.905826 300 0 fendl31d_ACE/51Sb123 + 53127.31c 53127.31c 1 53127 0 126.904477 300 0 fendl31d_ACE/53I_127 + I-127.31c 53127.31c 1 53127 0 126.904477 300 0 fendl31d_ACE/53I_127 + 55133.31c 55133.31c 1 55133 0 132.905459 300 0 fendl31d_ACE/55Cs133 + Cs-133.31c 55133.31c 1 55133 0 132.905459 300 0 fendl31d_ACE/55Cs133 + 56130.31c 56130.31c 1 56130 0 129.905961 300 0 fendl31d_ACE/56Ba130 + Ba-130.31c 56130.31c 1 56130 0 129.905961 300 0 fendl31d_ACE/56Ba130 + 56132.31c 56132.31c 1 56132 0 131.905068 300 0 fendl31d_ACE/56Ba132 + Ba-132.31c 56132.31c 1 56132 0 131.905068 300 0 fendl31d_ACE/56Ba132 + 56134.31c 56134.31c 1 56134 0 133.904309 300 0 fendl31d_ACE/56Ba134 + Ba-134.31c 56134.31c 1 56134 0 133.904309 300 0 fendl31d_ACE/56Ba134 + 56135.31c 56135.31c 1 56135 0 134.905695 300 0 fendl31d_ACE/56Ba135 + Ba-135.31c 56135.31c 1 56135 0 134.905695 300 0 fendl31d_ACE/56Ba135 + 56136.31c 56136.31c 1 56136 0 135.904492 300 0 fendl31d_ACE/56Ba136 + Ba-136.31c 56136.31c 1 56136 0 135.904492 300 0 fendl31d_ACE/56Ba136 + 56137.31c 56137.31c 1 56137 0 136.906096 300 0 fendl31d_ACE/56Ba137 + Ba-137.31c 56137.31c 1 56137 0 136.906096 300 0 fendl31d_ACE/56Ba137 + 56138.31c 56138.31c 1 56138 0 137.905254 300 0 fendl31d_ACE/56Ba138 + Ba-138.31c 56138.31c 1 56138 0 137.905254 300 0 fendl31d_ACE/56Ba138 + 57138.31c 57138.31c 1 57138 0 137.907119 300 0 fendl31d_ACE/57La138 + La-138.31c 57138.31c 1 57138 0 137.907119 300 0 fendl31d_ACE/57La138 + 57139.31c 57139.31c 1 57139 0 138.906379 300 0 fendl31d_ACE/57La139 + La-139.31c 57139.31c 1 57139 0 138.906379 300 0 fendl31d_ACE/57La139 + 58136.31c 58136.31c 1 58136 0 135.907518 300 0 fendl31d_ACE/58Ce136 + Ce-136.31c 58136.31c 1 58136 0 135.907518 300 0 fendl31d_ACE/58Ce136 + 58138.31c 58138.31c 1 58138 0 137.905683 300 0 fendl31d_ACE/58Ce138 + Ce-138.31c 58138.31c 1 58138 0 137.905683 300 0 fendl31d_ACE/58Ce138 + 58140.31c 58140.31c 1 58140 0 139.905446 300 0 fendl31d_ACE/58Ce140 + Ce-140.31c 58140.31c 1 58140 0 139.905446 300 0 fendl31d_ACE/58Ce140 + 58142.31c 58142.31c 1 58142 0 141.909074 300 0 fendl31d_ACE/58Ce142 + Ce-142.31c 58142.31c 1 58142 0 141.909074 300 0 fendl31d_ACE/58Ce142 + 64152.31c 64152.31c 1 64152 0 151.919799 300 0 fendl31d_ACE/64Gd152 + Gd-152.31c 64152.31c 1 64152 0 151.919799 300 0 fendl31d_ACE/64Gd152 + 64154.31c 64154.31c 1 64154 0 153.921265 300 0 fendl31d_ACE/64Gd154 + Gd-154.31c 64154.31c 1 64154 0 153.921265 300 0 fendl31d_ACE/64Gd154 + 64155.31c 64155.31c 1 64155 0 154.922630 300 0 fendl31d_ACE/64Gd155 + Gd-155.31c 64155.31c 1 64155 0 154.922630 300 0 fendl31d_ACE/64Gd155 + 64156.31c 64156.31c 1 64156 0 155.922457 300 0 fendl31d_ACE/64Gd156 + Gd-156.31c 64156.31c 1 64156 0 155.922457 300 0 fendl31d_ACE/64Gd156 + 64157.31c 64157.31c 1 64157 0 156.924061 300 0 fendl31d_ACE/64Gd157 + Gd-157.31c 64157.31c 1 64157 0 156.924061 300 0 fendl31d_ACE/64Gd157 + 64158.31c 64158.31c 1 64158 0 157.924112 300 0 fendl31d_ACE/64Gd158 + Gd-158.31c 64158.31c 1 64158 0 157.924112 300 0 fendl31d_ACE/64Gd158 + 64160.31c 64160.31c 1 64160 0 159.926857 300 0 fendl31d_ACE/64Gd160 + Gd-160.31c 64160.31c 1 64160 0 159.926857 300 0 fendl31d_ACE/64Gd160 + 68162.31c 68162.31c 1 68162 0 161.929056 300 0 fendl31d_ACE/68Er162 + Er-162.31c 68162.31c 1 68162 0 161.929056 300 0 fendl31d_ACE/68Er162 + 68164.31c 68164.31c 1 68164 0 163.929209 300 0 fendl31d_ACE/68Er164 + Er-164.31c 68164.31c 1 68164 0 163.929209 300 0 fendl31d_ACE/68Er164 + 68166.31c 68166.31c 1 68166 0 165.930430 300 0 fendl31d_ACE/68Er166 + Er-166.31c 68166.31c 1 68166 0 165.930430 300 0 fendl31d_ACE/68Er166 + 68167.31c 68167.31c 1 68167 0 166.932057 300 0 fendl31d_ACE/68Er167 + Er-167.31c 68167.31c 1 68167 0 166.932057 300 0 fendl31d_ACE/68Er167 + 68168.31c 68168.31c 1 68168 0 167.929604 300 0 fendl31d_ACE/68Er168 + Er-168.31c 68168.31c 1 68168 0 167.929604 300 0 fendl31d_ACE/68Er168 + 68170.31c 68170.31c 1 68170 0 169.935473 300 0 fendl31d_ACE/68Er170 + Er-170.31c 68170.31c 1 68170 0 169.935473 300 0 fendl31d_ACE/68Er170 + 71175.31c 71175.31c 1 71175 0 174.940835 300 0 fendl31d_ACE/71Lu175 + Lu-175.31c 71175.31c 1 71175 0 174.940835 300 0 fendl31d_ACE/71Lu175 + 71176.31c 71176.31c 1 71176 0 175.942741 300 0 fendl31d_ACE/71Lu176 + Lu-176.31c 71176.31c 1 71176 0 175.942741 300 0 fendl31d_ACE/71Lu176 + 72174.31c 72174.31c 1 72174 0 173.940055 300 0 fendl31d_ACE/72Hf174 + Hf-174.31c 72174.31c 1 72174 0 173.940055 300 0 fendl31d_ACE/72Hf174 + 72176.31c 72176.31c 1 72176 0 175.941430 300 0 fendl31d_ACE/72Hf176 + Hf-176.31c 72176.31c 1 72176 0 175.941430 300 0 fendl31d_ACE/72Hf176 + 72177.31c 72177.31c 1 72177 0 176.943230 300 0 fendl31d_ACE/72Hf177 + Hf-177.31c 72177.31c 1 72177 0 176.943230 300 0 fendl31d_ACE/72Hf177 + 72178.31c 72178.31c 1 72178 0 177.943731 300 0 fendl31d_ACE/72Hf178 + Hf-178.31c 72178.31c 1 72178 0 177.943731 300 0 fendl31d_ACE/72Hf178 + 72179.31c 72179.31c 1 72179 0 178.945840 300 0 fendl31d_ACE/72Hf179 + Hf-179.31c 72179.31c 1 72179 0 178.945840 300 0 fendl31d_ACE/72Hf179 + 72180.31c 72180.31c 1 72180 0 179.946559 300 0 fendl31d_ACE/72Hf180 + Hf-180.31c 72180.31c 1 72180 0 179.946559 300 0 fendl31d_ACE/72Hf180 + 73181.31c 73181.31c 1 73181 0 180.948443 300 0 fendl31d_ACE/73Ta181 + Ta-181.31c 73181.31c 1 73181 0 180.948443 300 0 fendl31d_ACE/73Ta181 + 74180.31c 74180.31c 1 74180 0 179.946839 300 0 fendl31d_ACE/74W_180 + W-180.31c 74180.31c 1 74180 0 179.946839 300 0 fendl31d_ACE/74W_180 + 74182.31c 74182.31c 1 74182 0 181.948213 300 0 fendl31d_ACE/74W_182 + W-182.31c 74182.31c 1 74182 0 181.948213 300 0 fendl31d_ACE/74W_182 + 74183.31c 74183.31c 1 74183 0 182.950643 300 0 fendl31d_ACE/74W_183 + W-183.31c 74183.31c 1 74183 0 182.950643 300 0 fendl31d_ACE/74W_183 + 74184.31c 74184.31c 1 74184 0 183.951239 300 0 fendl31d_ACE/74W_184 + W-184.31c 74184.31c 1 74184 0 183.951239 300 0 fendl31d_ACE/74W_184 + 74186.31c 74186.31c 1 74186 0 185.954447 300 0 fendl31d_ACE/74W_186 + W-186.31c 74186.31c 1 74186 0 185.954447 300 0 fendl31d_ACE/74W_186 + 75185.31c 75185.31c 1 75185 0 184.952944 300 0 fendl31d_ACE/75Re185 + Re-185.31c 75185.31c 1 75185 0 184.952944 300 0 fendl31d_ACE/75Re185 + 75187.31c 75187.31c 1 75187 0 186.955763 300 0 fendl31d_ACE/75Re187 + Re-187.31c 75187.31c 1 75187 0 186.955763 300 0 fendl31d_ACE/75Re187 + 78190.31c 78190.31c 1 78190 0 189.959941 300 0 fendl31d_ACE/78Pt190 + Pt-190.31c 78190.31c 1 78190 0 189.959941 300 0 fendl31d_ACE/78Pt190 + 78192.31c 78192.31c 1 78192 0 191.961047 300 0 fendl31d_ACE/78Pt192 + Pt-192.31c 78192.31c 1 78192 0 191.961047 300 0 fendl31d_ACE/78Pt192 + 78194.31c 78194.31c 1 78194 0 193.962743 300 0 fendl31d_ACE/78Pt194 + Pt-194.31c 78194.31c 1 78194 0 193.962743 300 0 fendl31d_ACE/78Pt194 + 78195.31c 78195.31c 1 78195 0 194.964851 300 0 fendl31d_ACE/78Pt195 + Pt-195.31c 78195.31c 1 78195 0 194.964851 300 0 fendl31d_ACE/78Pt195 + 78196.31c 78196.31c 1 78196 0 195.964961 300 0 fendl31d_ACE/78Pt196 + Pt-196.31c 78196.31c 1 78196 0 195.964961 300 0 fendl31d_ACE/78Pt196 + 78198.31c 78198.31c 1 78198 0 197.967950 300 0 fendl31d_ACE/78Pt198 + Pt-198.31c 78198.31c 1 78198 0 197.967950 300 0 fendl31d_ACE/78Pt198 + 79197.31c 79197.31c 1 79197 0 196.966043 300 0 fendl31d_ACE/79Au197 + Au-197.31c 79197.31c 1 79197 0 196.966043 300 0 fendl31d_ACE/79Au197 + 82204.31c 82204.31c 1 82204 0 203.973037 300 0 fendl31d_ACE/82Pb204 + Pb-204.31c 82204.31c 1 82204 0 203.973037 300 0 fendl31d_ACE/82Pb204 + 82206.31c 82206.31c 1 82206 0 205.974430 300 0 fendl31d_ACE/82Pb206 + Pb-206.31c 82206.31c 1 82206 0 205.974430 300 0 fendl31d_ACE/82Pb206 + 82207.31c 82207.31c 1 82207 0 206.975933 300 0 fendl31d_ACE/82Pb207 + Pb-207.31c 82207.31c 1 82207 0 206.975933 300 0 fendl31d_ACE/82Pb207 + 82208.31c 82208.31c 1 82208 0 207.976663 300 0 fendl31d_ACE/82Pb208 + Pb-208.31c 82208.31c 1 82208 0 207.976663 300 0 fendl31d_ACE/82Pb208 + 83209.31c 83209.31c 1 83209 0 208.980453 300 0 fendl31d_ACE/83Bi209 + Bi-209.31c 83209.31c 1 83209 0 208.980453 300 0 fendl31d_ACE/83Bi209 + 90232.31c 90232.31c 1 90232 0 232.038332 300 0 fendl31d_ACE/90Th232 + Th-232.31c 90232.31c 1 90232 0 232.038332 300 0 fendl31d_ACE/90Th232 + 92235.31c 92235.31c 1 92235 0 235.043942 300 0 fendl31d_ACE/92U_235 + U-235.31c 92235.31c 1 92235 0 235.043942 300 0 fendl31d_ACE/92U_235 + 92238.31c 92238.31c 1 92238 0 238.050800 300 0 fendl31d_ACE/92U_238 + U-238.31c 92238.31c 1 92238 0 238.050800 300 0 fendl31d_ACE/92U_238 + 100255.03c 100255.03c 1 100255 0 255.090361 294 0 JEFF3.3/ace/100-Fm-255g.jeff33.ACE + Fm-255.03c 100255.03c 1 100255 0 255.090361 294 0 JEFF3.3/ace/100-Fm-255g.jeff33.ACE + 10020.03c 10020.03c 1 10020 0 19.992446 294 0 JEFF3.3/ace/10-Ne-20g.jeff33.ACE + Ne-20.03c 10020.03c 1 10020 0 19.992446 294 0 JEFF3.3/ace/10-Ne-20g.jeff33.ACE + 10021.03c 10021.03c 1 10021 0 20.993848 294 0 JEFF3.3/ace/10-Ne-21g.jeff33.ACE + Ne-21.03c 10021.03c 1 10021 0 20.993848 294 0 JEFF3.3/ace/10-Ne-21g.jeff33.ACE + 10022.03c 10022.03c 1 10022 0 21.991386 294 0 JEFF3.3/ace/10-Ne-22g.jeff33.ACE + Ne-22.03c 10022.03c 1 10022 0 21.991386 294 0 JEFF3.3/ace/10-Ne-22g.jeff33.ACE + 11022.03c 11022.03c 1 11022 0 21.994444 294 0 JEFF3.3/ace/11-Na-22g.jeff33.ACE + Na-22.03c 11022.03c 1 11022 0 21.994444 294 0 JEFF3.3/ace/11-Na-22g.jeff33.ACE + 11023.03c 11023.03c 1 11023 0 22.989774 294 0 JEFF3.3/ace/11-Na-23g.jeff33.ACE + Na-23.03c 11023.03c 1 11023 0 22.989774 294 0 JEFF3.3/ace/11-Na-23g.jeff33.ACE + 12024.03c 12024.03c 1 12024 0 23.985044 294 0 JEFF3.3/ace/12-Mg-24g.jeff33.ACE + Mg-24.03c 12024.03c 1 12024 0 23.985044 294 0 JEFF3.3/ace/12-Mg-24g.jeff33.ACE + 12025.03c 12025.03c 1 12025 0 24.985838 294 0 JEFF3.3/ace/12-Mg-25g.jeff33.ACE + Mg-25.03c 12025.03c 1 12025 0 24.985838 294 0 JEFF3.3/ace/12-Mg-25g.jeff33.ACE + 12026.03c 12026.03c 1 12026 0 25.982604 294 0 JEFF3.3/ace/12-Mg-26g.jeff33.ACE + Mg-26.03c 12026.03c 1 12026 0 25.982604 294 0 JEFF3.3/ace/12-Mg-26g.jeff33.ACE + 12027.03c 12027.03c 1 12027 0 26.984340 294 0 JEFF3.3/ace/12-Mg-27g.jeff33.ACE + Mg-27.03c 12027.03c 1 12027 0 26.984340 294 0 JEFF3.3/ace/12-Mg-27g.jeff33.ACE + 13026.03c 13026.03c 1 13026 0 25.986891 294 0 JEFF3.3/ace/13-Al-26g.jeff33.ACE + Al-26.03c 13026.03c 1 13026 0 25.986891 294 0 JEFF3.3/ace/13-Al-26g.jeff33.ACE + 13027.03c 13027.03c 1 13027 0 26.981540 294 0 JEFF3.3/ace/13-Al-27g.jeff33.ACE + Al-27.03c 13027.03c 1 13027 0 26.981540 294 0 JEFF3.3/ace/13-Al-27g.jeff33.ACE + 14028.03c 14028.03c 1 14028 0 27.976928 294 0 JEFF3.3/ace/14-Si-28g.jeff33.ACE + Si-28.03c 14028.03c 1 14028 0 27.976928 294 0 JEFF3.3/ace/14-Si-28g.jeff33.ACE + 14029.03c 14029.03c 1 14029 0 28.976927 294 0 JEFF3.3/ace/14-Si-29g.jeff33.ACE + Si-29.03c 14029.03c 1 14029 0 28.976927 294 0 JEFF3.3/ace/14-Si-29g.jeff33.ACE + 14030.03c 14030.03c 1 14030 0 29.973488 294 0 JEFF3.3/ace/14-Si-30g.jeff33.ACE + Si-30.03c 14030.03c 1 14030 0 29.973488 294 0 JEFF3.3/ace/14-Si-30g.jeff33.ACE + 14031.03c 14031.03c 1 14031 0 30.975365 294 0 JEFF3.3/ace/14-Si-31g.jeff33.ACE + Si-31.03c 14031.03c 1 14031 0 30.975365 294 0 JEFF3.3/ace/14-Si-31g.jeff33.ACE + 14032.03c 14032.03c 1 14032 0 31.974155 294 0 JEFF3.3/ace/14-Si-32g.jeff33.ACE + Si-32.03c 14032.03c 1 14032 0 31.974155 294 0 JEFF3.3/ace/14-Si-32g.jeff33.ACE + 15031.03c 15031.03c 1 15031 0 30.973761 294 0 JEFF3.3/ace/15-P-31g.jeff33.ACE + P-31.03c 15031.03c 1 15031 0 30.973761 294 0 JEFF3.3/ace/15-P-31g.jeff33.ACE + 15032.03c 15032.03c 1 15032 0 31.973913 294 0 JEFF3.3/ace/15-P-32g.jeff33.ACE + P-32.03c 15032.03c 1 15032 0 31.973913 294 0 JEFF3.3/ace/15-P-32g.jeff33.ACE + 15033.03c 15033.03c 1 15033 0 32.971727 294 0 JEFF3.3/ace/15-P-33g.jeff33.ACE + P-33.03c 15033.03c 1 15033 0 32.971727 294 0 JEFF3.3/ace/15-P-33g.jeff33.ACE + 16032.03c 16032.03c 1 16032 0 31.972073 294 0 JEFF3.3/ace/16-S-32g.jeff33.ACE + S-32.03c 16032.03c 1 16032 0 31.972073 294 0 JEFF3.3/ace/16-S-32g.jeff33.ACE + 16033.03c 16033.03c 1 16033 0 32.971462 294 0 JEFF3.3/ace/16-S-33g.jeff33.ACE + S-33.03c 16033.03c 1 16033 0 32.971462 294 0 JEFF3.3/ace/16-S-33g.jeff33.ACE + 16034.03c 16034.03c 1 16034 0 33.967872 294 0 JEFF3.3/ace/16-S-34g.jeff33.ACE + S-34.03c 16034.03c 1 16034 0 33.967872 294 0 JEFF3.3/ace/16-S-34g.jeff33.ACE + 16035.03c 16035.03c 1 16035 0 34.969034 294 0 JEFF3.3/ace/16-S-35g.jeff33.ACE + S-35.03c 16035.03c 1 16035 0 34.969034 294 0 JEFF3.3/ace/16-S-35g.jeff33.ACE + 16036.03c 16036.03c 1 16036 0 35.967086 294 0 JEFF3.3/ace/16-S-36g.jeff33.ACE + S-36.03c 16036.03c 1 16036 0 35.967086 294 0 JEFF3.3/ace/16-S-36g.jeff33.ACE + 17035.03c 17035.03c 1 17035 0 34.968851 294 0 JEFF3.3/ace/17-Cl-35g.jeff33.ACE + Cl-35.03c 17035.03c 1 17035 0 34.968851 294 0 JEFF3.3/ace/17-Cl-35g.jeff33.ACE + 17036.03c 17036.03c 1 17036 0 35.968307 294 0 JEFF3.3/ace/17-Cl-36g.jeff33.ACE + Cl-36.03c 17036.03c 1 17036 0 35.968307 294 0 JEFF3.3/ace/17-Cl-36g.jeff33.ACE + 17037.03c 17037.03c 1 17037 0 36.965904 294 0 JEFF3.3/ace/17-Cl-37g.jeff33.ACE + Cl-37.03c 17037.03c 1 17037 0 36.965904 294 0 JEFF3.3/ace/17-Cl-37g.jeff33.ACE + 18036.03c 18036.03c 1 18036 0 35.967547 294 0 JEFF3.3/ace/18-Ar-36g.jeff33.ACE + Ar-36.03c 18036.03c 1 18036 0 35.967547 294 0 JEFF3.3/ace/18-Ar-36g.jeff33.ACE + 18037.03c 18037.03c 1 18037 0 36.966784 294 0 JEFF3.3/ace/18-Ar-37g.jeff33.ACE + Ar-37.03c 18037.03c 1 18037 0 36.966784 294 0 JEFF3.3/ace/18-Ar-37g.jeff33.ACE + 18038.03c 18038.03c 1 18038 0 37.962740 294 0 JEFF3.3/ace/18-Ar-38g.jeff33.ACE + Ar-38.03c 18038.03c 1 18038 0 37.962740 294 0 JEFF3.3/ace/18-Ar-38g.jeff33.ACE + 18039.03c 18039.03c 1 18039 0 38.964315 294 0 JEFF3.3/ace/18-Ar-39g.jeff33.ACE + Ar-39.03c 18039.03c 1 18039 0 38.964315 294 0 JEFF3.3/ace/18-Ar-39g.jeff33.ACE + 18040.03c 18040.03c 1 18040 0 39.962398 294 0 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0 2.014102 294 0 JEFF3.3/ace/1-H-2g.jeff33.ACE + 1003.03c 1003.03c 1 1003 0 3.015501 294 0 JEFF3.3/ace/1-H-3g.jeff33.ACE + H-3.03c 1003.03c 1 1003 0 3.015501 294 0 JEFF3.3/ace/1-H-3g.jeff33.ACE + 20040.03c 20040.03c 1 20040 0 39.962593 294 0 JEFF3.3/ace/20-Ca-40g.jeff33.ACE + Ca-40.03c 20040.03c 1 20040 0 39.962593 294 0 JEFF3.3/ace/20-Ca-40g.jeff33.ACE + 20041.03c 20041.03c 1 20041 0 40.962278 294 0 JEFF3.3/ace/20-Ca-41g.jeff33.ACE + Ca-41.03c 20041.03c 1 20041 0 40.962278 294 0 JEFF3.3/ace/20-Ca-41g.jeff33.ACE + 20042.03c 20042.03c 1 20042 0 41.958627 294 0 JEFF3.3/ace/20-Ca-42g.jeff33.ACE + Ca-42.03c 20042.03c 1 20042 0 41.958627 294 0 JEFF3.3/ace/20-Ca-42g.jeff33.ACE + 20043.03c 20043.03c 1 20043 0 42.958769 0 0 JEFF3.3/ace/20-Ca-43g.jeff33.ACE + Ca-43.03c 20043.03c 1 20043 0 42.958769 0 0 JEFF3.3/ace/20-Ca-43g.jeff33.ACE + 20044.03c 20044.03c 1 20044 0 43.955481 294 0 JEFF3.3/ace/20-Ca-44g.jeff33.ACE + Ca-44.03c 20044.03c 1 20044 0 43.955481 294 0 JEFF3.3/ace/20-Ca-44g.jeff33.ACE 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JEFF3.3/ace/46-Pd-102g.jeff33.ACE + 46103.03c 46103.03c 1 46103 0 102.906093 294 0 JEFF3.3/ace/46-Pd-103g.jeff33.ACE + Pd-103.03c 46103.03c 1 46103 0 102.906093 294 0 JEFF3.3/ace/46-Pd-103g.jeff33.ACE + 46104.03c 46104.03c 1 46104 0 103.903990 294 0 JEFF3.3/ace/46-Pd-104g.jeff33.ACE + Pd-104.03c 46104.03c 1 46104 0 103.903990 294 0 JEFF3.3/ace/46-Pd-104g.jeff33.ACE + 46105.03c 46105.03c 1 46105 0 104.905191 294 0 JEFF3.3/ace/46-Pd-105g.jeff33.ACE + Pd-105.03c 46105.03c 1 46105 0 104.905191 294 0 JEFF3.3/ace/46-Pd-105g.jeff33.ACE + 46106.03c 46106.03c 1 46106 0 105.903491 294 0 JEFF3.3/ace/46-Pd-106g.jeff33.ACE + Pd-106.03c 46106.03c 1 46106 0 105.903491 294 0 JEFF3.3/ace/46-Pd-106g.jeff33.ACE + 46107.03c 46107.03c 1 46107 0 106.905374 294 0 JEFF3.3/ace/46-Pd-107g.jeff33.ACE + Pd-107.03c 46107.03c 1 46107 0 106.905374 294 0 JEFF3.3/ace/46-Pd-107g.jeff33.ACE + 46108.03c 46108.03c 1 46108 0 107.903851 294 0 JEFF3.3/ace/46-Pd-108g.jeff33.ACE + Pd-108.03c 46108.03c 1 46108 0 107.903851 294 0 JEFF3.3/ace/46-Pd-108g.jeff33.ACE + 46110.03c 46110.03c 1 46110 0 109.905143 294 0 JEFF3.3/ace/46-Pd-110g.jeff33.ACE + Pd-110.03c 46110.03c 1 46110 0 109.905143 294 0 JEFF3.3/ace/46-Pd-110g.jeff33.ACE + 47106.03c 47106.03c 1 47106 0 105.906695 294 0 JEFF3.3/ace/47-Ag-106m.jeff33.ACE + Ag-106.03c 47106.03c 1 47106 0 105.906695 294 0 JEFF3.3/ace/47-Ag-106m.jeff33.ACE + 47107.03c 47107.03c 1 47107 0 106.905071 294 0 JEFF3.3/ace/47-Ag-107g.jeff33.ACE + Ag-107.03c 47107.03c 1 47107 0 106.905071 294 0 JEFF3.3/ace/47-Ag-107g.jeff33.ACE + 47108.03c 47108.03c 1 47108 0 107.905961 294 0 JEFF3.3/ace/47-Ag-108g.jeff33.ACE + Ag-108.03c 47108.03c 1 47108 0 107.905961 294 0 JEFF3.3/ace/47-Ag-108g.jeff33.ACE + 47109.03c 47109.03c 1 47109 0 108.904548 294 0 JEFF3.3/ace/47-Ag-109g.jeff33.ACE + Ag-109.03c 47109.03c 1 47109 0 108.904548 294 0 JEFF3.3/ace/47-Ag-109g.jeff33.ACE + 47110.03c 47110.03c 1 47110 0 109.906152 294 0 JEFF3.3/ace/47-Ag-110g.jeff33.ACE + Ag-110.03c 47110.03c 1 47110 0 109.906152 294 0 JEFF3.3/ace/47-Ag-110g.jeff33.ACE + 47110.03c 47110.03c 1 47110 0 109.906152 294 0 JEFF3.3/ace/47-Ag-110m.jeff33.ACE + Ag-110.03c 47110.03c 1 47110 0 109.906152 294 0 JEFF3.3/ace/47-Ag-110m.jeff33.ACE + 47111.03c 47111.03c 1 47111 0 110.905297 294 0 JEFF3.3/ace/47-Ag-111g.jeff33.ACE + Ag-111.03c 47111.03c 1 47111 0 110.905297 294 0 JEFF3.3/ace/47-Ag-111g.jeff33.ACE + 48106.03c 48106.03c 1 48106 0 105.909822 294 0 JEFF3.3/ace/48-Cd-106g.jeff33.ACE + Cd-106.03c 48106.03c 1 48106 0 105.909822 294 0 JEFF3.3/ace/48-Cd-106g.jeff33.ACE + 48108.03c 48108.03c 1 48108 0 107.903952 294 0 JEFF3.3/ace/48-Cd-108g.jeff33.ACE + Cd-108.03c 48108.03c 1 48108 0 107.903952 294 0 JEFF3.3/ace/48-Cd-108g.jeff33.ACE + 48109.03c 48109.03c 1 48109 0 108.904951 294 0 JEFF3.3/ace/48-Cd-109g.jeff33.ACE + Cd-109.03c 48109.03c 1 48109 0 108.904951 294 0 JEFF3.3/ace/48-Cd-109g.jeff33.ACE + 48110.03c 48110.03c 1 48110 0 109.903008 294 0 JEFF3.3/ace/48-Cd-110g.jeff33.ACE + Cd-110.03c 48110.03c 1 48110 0 109.903008 294 0 JEFF3.3/ace/48-Cd-110g.jeff33.ACE + 48111.03c 48111.03c 1 48111 0 110.904730 294 0 JEFF3.3/ace/48-Cd-111g.jeff33.ACE + Cd-111.03c 48111.03c 1 48111 0 110.904730 294 0 JEFF3.3/ace/48-Cd-111g.jeff33.ACE + 48112.03c 48112.03c 1 48112 0 111.903309 294 0 JEFF3.3/ace/48-Cd-112g.jeff33.ACE + Cd-112.03c 48112.03c 1 48112 0 111.903309 294 0 JEFF3.3/ace/48-Cd-112g.jeff33.ACE + 48113.03c 48113.03c 1 48113 0 112.904407 294 0 JEFF3.3/ace/48-Cd-113g.jeff33.ACE + Cd-113.03c 48113.03c 1 48113 0 112.904407 294 0 JEFF3.3/ace/48-Cd-113g.jeff33.ACE + 48114.03c 48114.03c 1 48114 0 113.903491 294 0 JEFF3.3/ace/48-Cd-114g.jeff33.ACE + Cd-114.03c 48114.03c 1 48114 0 113.903491 294 0 JEFF3.3/ace/48-Cd-114g.jeff33.ACE + 48115.03c 48115.03c 1 48115 0 114.905096 294 0 JEFF3.3/ace/48-Cd-115m.jeff33.ACE + Cd-115.03c 48115.03c 1 48115 0 114.905096 294 0 JEFF3.3/ace/48-Cd-115m.jeff33.ACE + 48116.03c 48116.03c 1 48116 0 115.904762 294 0 JEFF3.3/ace/48-Cd-116g.jeff33.ACE + Cd-116.03c 48116.03c 1 48116 0 115.904762 294 0 JEFF3.3/ace/48-Cd-116g.jeff33.ACE + 49113.03c 49113.03c 1 49113 0 112.904106 294 0 JEFF3.3/ace/49-In-113g.jeff33.ACE + In-113.03c 49113.03c 1 49113 0 112.904106 294 0 JEFF3.3/ace/49-In-113g.jeff33.ACE + 49114.03c 49114.03c 1 49114 0 113.904904 294 0 JEFF3.3/ace/49-In-114g.jeff33.ACE + In-114.03c 49114.03c 1 49114 0 113.904904 294 0 JEFF3.3/ace/49-In-114g.jeff33.ACE + 49115.03c 49115.03c 1 49115 0 114.903884 294 0 JEFF3.3/ace/49-In-115g.jeff33.ACE + In-115.03c 49115.03c 1 49115 0 114.903884 294 0 JEFF3.3/ace/49-In-115g.jeff33.ACE + 4009.03c 4009.03c 1 4009 0 9.012200 294 0 JEFF3.3/ace/4-Be-9g.jeff33.ACE + Be-9.03c 4009.03c 1 4009 0 9.012200 294 0 JEFF3.3/ace/4-Be-9g.jeff33.ACE + 50112.03c 50112.03c 1 50112 0 111.905326 294 0 JEFF3.3/ace/50-Sn-112g.jeff33.ACE + Sn-112.03c 50112.03c 1 50112 0 111.905326 294 0 JEFF3.3/ace/50-Sn-112g.jeff33.ACE + 50113.03c 50113.03c 1 50113 0 112.904913 294 0 JEFF3.3/ace/50-Sn-113g.jeff33.ACE + Sn-113.03c 50113.03c 1 50113 0 112.904913 294 0 JEFF3.3/ace/50-Sn-113g.jeff33.ACE + 50114.03c 50114.03c 1 50114 0 113.902785 294 0 JEFF3.3/ace/50-Sn-114g.jeff33.ACE + Sn-114.03c 50114.03c 1 50114 0 113.902785 294 0 JEFF3.3/ace/50-Sn-114g.jeff33.ACE + 50115.03c 50115.03c 1 50115 0 114.903078 294 0 JEFF3.3/ace/50-Sn-115g.jeff33.ACE + Sn-115.03c 50115.03c 1 50115 0 114.903078 294 0 JEFF3.3/ace/50-Sn-115g.jeff33.ACE + 50116.03c 50116.03c 1 50116 0 115.901657 294 0 JEFF3.3/ace/50-Sn-116g.jeff33.ACE + Sn-116.03c 50116.03c 1 50116 0 115.901657 294 0 JEFF3.3/ace/50-Sn-116g.jeff33.ACE + 50117.03c 50117.03c 1 50117 0 116.902958 294 0 JEFF3.3/ace/50-Sn-117g.jeff33.ACE + Sn-117.03c 50117.03c 1 50117 0 116.902958 294 0 JEFF3.3/ace/50-Sn-117g.jeff33.ACE + 50118.03c 50118.03c 1 50118 0 117.901839 294 0 JEFF3.3/ace/50-Sn-118g.jeff33.ACE + Sn-118.03c 50118.03c 1 50118 0 117.901839 294 0 JEFF3.3/ace/50-Sn-118g.jeff33.ACE + 50119.03c 50119.03c 1 50119 0 118.903444 294 0 JEFF3.3/ace/50-Sn-119g.jeff33.ACE + Sn-119.03c 50119.03c 1 50119 0 118.903444 294 0 JEFF3.3/ace/50-Sn-119g.jeff33.ACE + 50120.03c 50120.03c 1 50120 0 119.902201 294 0 JEFF3.3/ace/50-Sn-120g.jeff33.ACE + Sn-120.03c 50120.03c 1 50120 0 119.902201 294 0 JEFF3.3/ace/50-Sn-120g.jeff33.ACE + 50121.03c 50121.03c 1 50121 0 120.904231 294 0 JEFF3.3/ace/50-Sn-121g.jeff33.ACE + Sn-121.03c 50121.03c 1 50121 0 120.904231 294 0 JEFF3.3/ace/50-Sn-121g.jeff33.ACE + 50122.03c 50122.03c 1 50122 0 121.903415 294 0 JEFF3.3/ace/50-Sn-122g.jeff33.ACE + Sn-122.03c 50122.03c 1 50122 0 121.903415 294 0 JEFF3.3/ace/50-Sn-122g.jeff33.ACE + 50123.03c 50123.03c 1 50123 0 122.905727 294 0 JEFF3.3/ace/50-Sn-123g.jeff33.ACE + Sn-123.03c 50123.03c 1 50123 0 122.905727 294 0 JEFF3.3/ace/50-Sn-123g.jeff33.ACE + 50124.03c 50124.03c 1 50124 0 123.905312 294 0 JEFF3.3/ace/50-Sn-124g.jeff33.ACE + Sn-124.03c 50124.03c 1 50124 0 123.905312 294 0 JEFF3.3/ace/50-Sn-124g.jeff33.ACE + 50125.03c 50125.03c 1 50125 0 124.907824 294 0 JEFF3.3/ace/50-Sn-125g.jeff33.ACE + Sn-125.03c 50125.03c 1 50125 0 124.907824 294 0 JEFF3.3/ace/50-Sn-125g.jeff33.ACE + 50126.03c 50126.03c 1 50126 0 125.907660 294 0 JEFF3.3/ace/50-Sn-126g.jeff33.ACE + Sn-126.03c 50126.03c 1 50126 0 125.907660 294 0 JEFF3.3/ace/50-Sn-126g.jeff33.ACE + 51121.03c 51121.03c 1 51121 0 120.903822 294 0 JEFF3.3/ace/51-Sb-121g.jeff33.ACE + Sb-121.03c 51121.03c 1 51121 0 120.903822 294 0 JEFF3.3/ace/51-Sb-121g.jeff33.ACE + 51122.03c 51122.03c 1 51122 0 121.905231 294 0 JEFF3.3/ace/51-Sb-122g.jeff33.ACE + Sb-122.03c 51122.03c 1 51122 0 121.905231 294 0 JEFF3.3/ace/51-Sb-122g.jeff33.ACE + 51123.03c 51123.03c 1 51123 0 122.903809 294 0 JEFF3.3/ace/51-Sb-123g.jeff33.ACE + Sb-123.03c 51123.03c 1 51123 0 122.903809 294 0 JEFF3.3/ace/51-Sb-123g.jeff33.ACE + 51124.03c 51124.03c 1 51124 0 123.905942 294 0 JEFF3.3/ace/51-Sb-124g.jeff33.ACE + Sb-124.03c 51124.03c 1 51124 0 123.905942 294 0 JEFF3.3/ace/51-Sb-124g.jeff33.ACE + 51125.03c 51125.03c 1 51125 0 124.905303 294 0 JEFF3.3/ace/51-Sb-125g.jeff33.ACE + Sb-125.03c 51125.03c 1 51125 0 124.905303 294 0 JEFF3.3/ace/51-Sb-125g.jeff33.ACE + 51126.03c 51126.03c 1 51126 0 125.907311 294 0 JEFF3.3/ace/51-Sb-126g.jeff33.ACE + Sb-126.03c 51126.03c 1 51126 0 125.907311 294 0 JEFF3.3/ace/51-Sb-126g.jeff33.ACE + 51127.03c 51127.03c 1 51127 0 126.906930 294 0 JEFF3.3/ace/51-Sb-127g.jeff33.ACE + Sb-127.03c 51127.03c 1 51127 0 126.906930 294 0 JEFF3.3/ace/51-Sb-127g.jeff33.ACE + 52120.03c 52120.03c 1 52120 0 119.904026 294 0 JEFF3.3/ace/52-Te-120g.jeff33.ACE + Te-120.03c 52120.03c 1 52120 0 119.904026 294 0 JEFF3.3/ace/52-Te-120g.jeff33.ACE + 52121.03c 52121.03c 1 52121 0 120.904938 294 0 JEFF3.3/ace/52-Te-121g.jeff33.ACE + Te-121.03c 52121.03c 1 52121 0 120.904938 294 0 JEFF3.3/ace/52-Te-121g.jeff33.ACE + 52122.03c 52122.03c 1 52122 0 121.903012 294 0 JEFF3.3/ace/52-Te-122g.jeff33.ACE + Te-122.03c 52122.03c 1 52122 0 121.903012 294 0 JEFF3.3/ace/52-Te-122g.jeff33.ACE + 52123.03c 52123.03c 1 52123 0 122.904276 294 0 JEFF3.3/ace/52-Te-123g.jeff33.ACE + Te-123.03c 52123.03c 1 52123 0 122.904276 294 0 JEFF3.3/ace/52-Te-123g.jeff33.ACE + 52124.03c 52124.03c 1 52124 0 123.902791 294 0 JEFF3.3/ace/52-Te-124g.jeff33.ACE + Te-124.03c 52124.03c 1 52124 0 123.902791 294 0 JEFF3.3/ace/52-Te-124g.jeff33.ACE + 52125.03c 52125.03c 1 52125 0 124.904496 294 0 JEFF3.3/ace/52-Te-125g.jeff33.ACE + Te-125.03c 52125.03c 1 52125 0 124.904496 294 0 JEFF3.3/ace/52-Te-125g.jeff33.ACE + 52126.03c 52126.03c 1 52126 0 125.903318 294 0 JEFF3.3/ace/52-Te-126g.jeff33.ACE + Te-126.03c 52126.03c 1 52126 0 125.903318 294 0 JEFF3.3/ace/52-Te-126g.jeff33.ACE + 52127.03c 52127.03c 1 52127 0 126.905284 294 0 JEFF3.3/ace/52-Te-127m.jeff33.ACE + Te-127.03c 52127.03c 1 52127 0 126.905284 294 0 JEFF3.3/ace/52-Te-127m.jeff33.ACE + 52128.03c 52128.03c 1 52128 0 127.904467 294 0 JEFF3.3/ace/52-Te-128g.jeff33.ACE + Te-128.03c 52128.03c 1 52128 0 127.904467 294 0 JEFF3.3/ace/52-Te-128g.jeff33.ACE + 52129.03c 52129.03c 1 52129 0 128.906605 294 0 JEFF3.3/ace/52-Te-129m.jeff33.ACE + Te-129.03c 52129.03c 1 52129 0 128.906605 294 0 JEFF3.3/ace/52-Te-129m.jeff33.ACE + 52130.03c 52130.03c 1 52130 0 129.906264 294 0 JEFF3.3/ace/52-Te-130g.jeff33.ACE + Te-130.03c 52130.03c 1 52130 0 129.906264 294 0 JEFF3.3/ace/52-Te-130g.jeff33.ACE + 52131.03c 52131.03c 1 52131 0 130.908574 294 0 JEFF3.3/ace/52-Te-131m.jeff33.ACE + Te-131.03c 52131.03c 1 52131 0 130.908574 294 0 JEFF3.3/ace/52-Te-131m.jeff33.ACE + 52132.03c 52132.03c 1 52132 0 131.908560 294 0 JEFF3.3/ace/52-Te-132g.jeff33.ACE + Te-132.03c 52132.03c 1 52132 0 131.908560 294 0 JEFF3.3/ace/52-Te-132g.jeff33.ACE + 53126.03c 53126.03c 1 53126 0 125.905631 294 0 JEFF3.3/ace/53-I-126g.jeff33.ACE + I-126.03c 53126.03c 1 53126 0 125.905631 294 0 JEFF3.3/ace/53-I-126g.jeff33.ACE + 53127.03c 53127.03c 1 53127 0 126.904477 294 0 JEFF3.3/ace/53-I-127g.jeff33.ACE + I-127.03c 53127.03c 1 53127 0 126.904477 294 0 JEFF3.3/ace/53-I-127g.jeff33.ACE + 53128.03c 53128.03c 1 53128 0 127.905778 294 0 JEFF3.3/ace/53-I-128g.jeff33.ACE + I-128.03c 53128.03c 1 53128 0 127.905778 294 0 JEFF3.3/ace/53-I-128g.jeff33.ACE + 53129.03c 53129.03c 1 53129 0 128.904994 294 0 JEFF3.3/ace/53-I-129g.jeff33.ACE + I-129.03c 53129.03c 1 53129 0 128.904994 294 0 JEFF3.3/ace/53-I-129g.jeff33.ACE + 53130.03c 53130.03c 1 53130 0 129.906970 294 0 JEFF3.3/ace/53-I-130g.jeff33.ACE + I-130.03c 53130.03c 1 53130 0 129.906970 294 0 JEFF3.3/ace/53-I-130g.jeff33.ACE + 53131.03c 53131.03c 1 53131 0 130.905548 294 0 JEFF3.3/ace/53-I-131g.jeff33.ACE + I-131.03c 53131.03c 1 53131 0 130.905548 294 0 JEFF3.3/ace/53-I-131g.jeff33.ACE + 53135.03c 53135.03c 1 53135 0 134.910055 294 0 JEFF3.3/ace/53-I-135g.jeff33.ACE + I-135.03c 53135.03c 1 53135 0 134.910055 294 0 JEFF3.3/ace/53-I-135g.jeff33.ACE + 54123.03c 54123.03c 1 54123 0 122.908449 294 0 JEFF3.3/ace/54-Xe-123g.jeff33.ACE + Xe-123.03c 54123.03c 1 54123 0 122.908449 294 0 JEFF3.3/ace/54-Xe-123g.jeff33.ACE + 54124.03c 54124.03c 1 54124 0 123.905918 294 0 JEFF3.3/ace/54-Xe-124g.jeff33.ACE + Xe-124.03c 54124.03c 1 54124 0 123.905918 294 0 JEFF3.3/ace/54-Xe-124g.jeff33.ACE + 54126.03c 54126.03c 1 54126 0 125.904285 294 0 JEFF3.3/ace/54-Xe-126g.jeff33.ACE + Xe-126.03c 54126.03c 1 54126 0 125.904285 294 0 JEFF3.3/ace/54-Xe-126g.jeff33.ACE + 54127.03c 54127.03c 1 54127 0 126.905183 294 0 JEFF3.3/ace/54-Xe-127g.jeff33.ACE + Xe-127.03c 54127.03c 1 54127 0 126.905183 294 0 JEFF3.3/ace/54-Xe-127g.jeff33.ACE + 54128.03c 54128.03c 1 54128 0 127.903538 294 0 JEFF3.3/ace/54-Xe-128g.jeff33.ACE + Xe-128.03c 54128.03c 1 54128 0 127.903538 294 0 JEFF3.3/ace/54-Xe-128g.jeff33.ACE + 54129.03c 54129.03c 1 54129 0 128.904760 294 0 JEFF3.3/ace/54-Xe-129g.jeff33.ACE + Xe-129.03c 54129.03c 1 54129 0 128.904760 294 0 JEFF3.3/ace/54-Xe-129g.jeff33.ACE + 54130.03c 54130.03c 1 54130 0 129.903944 294 0 JEFF3.3/ace/54-Xe-130g.jeff33.ACE + Xe-130.03c 54130.03c 1 54130 0 129.903944 294 0 JEFF3.3/ace/54-Xe-130g.jeff33.ACE + 54131.03c 54131.03c 1 54131 0 130.905089 294 0 JEFF3.3/ace/54-Xe-131g.jeff33.ACE + Xe-131.03c 54131.03c 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xdata/endf71x/Ru/44102.711nc + Ru-102.81c 44102.81c 1 44102 0 101.904354 600 0 xdata/endf71x/Ru/44102.711nc + 44102.82c 44102.82c 1 44102 0 101.904354 900 0 xdata/endf71x/Ru/44102.712nc + Ru-102.82c 44102.82c 1 44102 0 101.904354 900 0 xdata/endf71x/Ru/44102.712nc + 44102.83c 44102.83c 1 44102 0 101.904354 1200 0 xdata/endf71x/Ru/44102.713nc + Ru-102.83c 44102.83c 1 44102 0 101.904354 1200 0 xdata/endf71x/Ru/44102.713nc + 44102.84c 44102.84c 1 44102 0 101.904354 2500 0 xdata/endf71x/Ru/44102.714nc + Ru-102.84c 44102.84c 1 44102 0 101.904354 2500 0 xdata/endf71x/Ru/44102.714nc + 44102.85c 44102.85c 1 44102 0 101.904354 0 0 xdata/endf71x/Ru/44102.715nc + Ru-102.85c 44102.85c 1 44102 0 101.904354 0 0 xdata/endf71x/Ru/44102.715nc + 44102.86c 44102.86c 1 44102 0 101.904354 250 0 xdata/endf71x/Ru/44102.716nc + Ru-102.86c 44102.86c 1 44102 0 101.904354 250 0 xdata/endf71x/Ru/44102.716nc + 44103.80c 44103.80c 1 44103 0 102.904000 294 0 xdata/endf71x/Ru/44103.710nc + Ru-103.80c 44103.80c 1 44103 0 102.904000 294 0 xdata/endf71x/Ru/44103.710nc + 44103.81c 44103.81c 1 44103 0 102.904000 600 0 xdata/endf71x/Ru/44103.711nc + Ru-103.81c 44103.81c 1 44103 0 102.904000 600 0 xdata/endf71x/Ru/44103.711nc + 44103.82c 44103.82c 1 44103 0 102.904000 900 0 xdata/endf71x/Ru/44103.712nc + Ru-103.82c 44103.82c 1 44103 0 102.904000 900 0 xdata/endf71x/Ru/44103.712nc + 44103.83c 44103.83c 1 44103 0 102.904000 1200 0 xdata/endf71x/Ru/44103.713nc + Ru-103.83c 44103.83c 1 44103 0 102.904000 1200 0 xdata/endf71x/Ru/44103.713nc + 44103.84c 44103.84c 1 44103 0 102.904000 2500 0 xdata/endf71x/Ru/44103.714nc + Ru-103.84c 44103.84c 1 44103 0 102.904000 2500 0 xdata/endf71x/Ru/44103.714nc + 44103.85c 44103.85c 1 44103 0 102.904000 0 0 xdata/endf71x/Ru/44103.715nc + Ru-103.85c 44103.85c 1 44103 0 102.904000 0 0 xdata/endf71x/Ru/44103.715nc + 44103.86c 44103.86c 1 44103 0 102.904000 250 0 xdata/endf71x/Ru/44103.716nc + Ru-103.86c 44103.86c 1 44103 0 102.904000 250 0 xdata/endf71x/Ru/44103.716nc + 44104.80c 44104.80c 1 44104 0 103.902578 294 0 xdata/endf71x/Ru/44104.710nc + Ru-104.80c 44104.80c 1 44104 0 103.902578 294 0 xdata/endf71x/Ru/44104.710nc + 44104.81c 44104.81c 1 44104 0 103.902578 600 0 xdata/endf71x/Ru/44104.711nc + Ru-104.81c 44104.81c 1 44104 0 103.902578 600 0 xdata/endf71x/Ru/44104.711nc + 44104.82c 44104.82c 1 44104 0 103.902578 900 0 xdata/endf71x/Ru/44104.712nc + Ru-104.82c 44104.82c 1 44104 0 103.902578 900 0 xdata/endf71x/Ru/44104.712nc + 44104.83c 44104.83c 1 44104 0 103.902578 1200 0 xdata/endf71x/Ru/44104.713nc + Ru-104.83c 44104.83c 1 44104 0 103.902578 1200 0 xdata/endf71x/Ru/44104.713nc + 44104.84c 44104.84c 1 44104 0 103.902578 2500 0 xdata/endf71x/Ru/44104.714nc + Ru-104.84c 44104.84c 1 44104 0 103.902578 2500 0 xdata/endf71x/Ru/44104.714nc + 44104.85c 44104.85c 1 44104 0 103.902578 0 0 xdata/endf71x/Ru/44104.715nc + Ru-104.85c 44104.85c 1 44104 0 103.902578 0 0 xdata/endf71x/Ru/44104.715nc + 44104.86c 44104.86c 1 44104 0 103.902578 250 0 xdata/endf71x/Ru/44104.716nc + Ru-104.86c 44104.86c 1 44104 0 103.902578 250 0 xdata/endf71x/Ru/44104.716nc + 44105.80c 44105.80c 1 44105 0 104.907758 294 0 xdata/endf71x/Ru/44105.710nc + Ru-105.80c 44105.80c 1 44105 0 104.907758 294 0 xdata/endf71x/Ru/44105.710nc + 44105.81c 44105.81c 1 44105 0 104.907758 600 0 xdata/endf71x/Ru/44105.711nc + Ru-105.81c 44105.81c 1 44105 0 104.907758 600 0 xdata/endf71x/Ru/44105.711nc + 44105.82c 44105.82c 1 44105 0 104.907758 900 0 xdata/endf71x/Ru/44105.712nc + Ru-105.82c 44105.82c 1 44105 0 104.907758 900 0 xdata/endf71x/Ru/44105.712nc + 44105.83c 44105.83c 1 44105 0 104.907758 1200 0 xdata/endf71x/Ru/44105.713nc + Ru-105.83c 44105.83c 1 44105 0 104.907758 1200 0 xdata/endf71x/Ru/44105.713nc + 44105.84c 44105.84c 1 44105 0 104.907758 2500 0 xdata/endf71x/Ru/44105.714nc + Ru-105.84c 44105.84c 1 44105 0 104.907758 2500 0 xdata/endf71x/Ru/44105.714nc + 44105.85c 44105.85c 1 44105 0 104.907758 0 0 xdata/endf71x/Ru/44105.715nc + Ru-105.85c 44105.85c 1 44105 0 104.907758 0 0 xdata/endf71x/Ru/44105.715nc + 44105.86c 44105.86c 1 44105 0 104.907758 250 0 xdata/endf71x/Ru/44105.716nc + Ru-105.86c 44105.86c 1 44105 0 104.907758 250 0 xdata/endf71x/Ru/44105.716nc + 44106.80c 44106.80c 1 44106 0 105.906796 294 0 xdata/endf71x/Ru/44106.710nc + Ru-106.80c 44106.80c 1 44106 0 105.906796 294 0 xdata/endf71x/Ru/44106.710nc + 44106.81c 44106.81c 1 44106 0 105.906796 600 0 xdata/endf71x/Ru/44106.711nc + Ru-106.81c 44106.81c 1 44106 0 105.906796 600 0 xdata/endf71x/Ru/44106.711nc + 44106.82c 44106.82c 1 44106 0 105.906796 900 0 xdata/endf71x/Ru/44106.712nc + Ru-106.82c 44106.82c 1 44106 0 105.906796 900 0 xdata/endf71x/Ru/44106.712nc + 44106.83c 44106.83c 1 44106 0 105.906796 1200 0 xdata/endf71x/Ru/44106.713nc + Ru-106.83c 44106.83c 1 44106 0 105.906796 1200 0 xdata/endf71x/Ru/44106.713nc + 44106.84c 44106.84c 1 44106 0 105.906796 2500 0 xdata/endf71x/Ru/44106.714nc + Ru-106.84c 44106.84c 1 44106 0 105.906796 2500 0 xdata/endf71x/Ru/44106.714nc + 44106.85c 44106.85c 1 44106 0 105.906796 0 0 xdata/endf71x/Ru/44106.715nc + Ru-106.85c 44106.85c 1 44106 0 105.906796 0 0 xdata/endf71x/Ru/44106.715nc + 44106.86c 44106.86c 1 44106 0 105.906796 250 0 xdata/endf71x/Ru/44106.716nc + Ru-106.86c 44106.86c 1 44106 0 105.906796 250 0 xdata/endf71x/Ru/44106.716nc + 45103.80c 45103.80c 1 45103 0 102.905009 294 0 xdata/endf71x/Rh/45103.710nc + Rh-103.80c 45103.80c 1 45103 0 102.905009 294 0 xdata/endf71x/Rh/45103.710nc + 45103.81c 45103.81c 1 45103 0 102.905009 600 0 xdata/endf71x/Rh/45103.711nc + Rh-103.81c 45103.81c 1 45103 0 102.905009 600 0 xdata/endf71x/Rh/45103.711nc + 45103.82c 45103.82c 1 45103 0 102.905009 900 0 xdata/endf71x/Rh/45103.712nc + Rh-103.82c 45103.82c 1 45103 0 102.905009 900 0 xdata/endf71x/Rh/45103.712nc + 45103.83c 45103.83c 1 45103 0 102.905009 1200 0 xdata/endf71x/Rh/45103.713nc + Rh-103.83c 45103.83c 1 45103 0 102.905009 1200 0 xdata/endf71x/Rh/45103.713nc + 45103.84c 45103.84c 1 45103 0 102.905009 2500 0 xdata/endf71x/Rh/45103.714nc + Rh-103.84c 45103.84c 1 45103 0 102.905009 2500 0 xdata/endf71x/Rh/45103.714nc + 45103.85c 45103.85c 1 45103 0 102.905009 0 0 xdata/endf71x/Rh/45103.715nc + Rh-103.85c 45103.85c 1 45103 0 102.905009 0 0 xdata/endf71x/Rh/45103.715nc + 45103.86c 45103.86c 1 45103 0 102.905009 250 0 xdata/endf71x/Rh/45103.716nc + Rh-103.86c 45103.86c 1 45103 0 102.905009 250 0 xdata/endf71x/Rh/45103.716nc + 45105.80c 45105.80c 1 45105 0 104.901157 294 0 xdata/endf71x/Rh/45105.710nc + Rh-105.80c 45105.80c 1 45105 0 104.901157 294 0 xdata/endf71x/Rh/45105.710nc + 45105.81c 45105.81c 1 45105 0 104.901157 600 0 xdata/endf71x/Rh/45105.711nc + Rh-105.81c 45105.81c 1 45105 0 104.901157 600 0 xdata/endf71x/Rh/45105.711nc + 45105.82c 45105.82c 1 45105 0 104.901157 900 0 xdata/endf71x/Rh/45105.712nc + Rh-105.82c 45105.82c 1 45105 0 104.901157 900 0 xdata/endf71x/Rh/45105.712nc + 45105.83c 45105.83c 1 45105 0 104.901157 1200 0 xdata/endf71x/Rh/45105.713nc + Rh-105.83c 45105.83c 1 45105 0 104.901157 1200 0 xdata/endf71x/Rh/45105.713nc + 45105.84c 45105.84c 1 45105 0 104.901157 2500 0 xdata/endf71x/Rh/45105.714nc + Rh-105.84c 45105.84c 1 45105 0 104.901157 2500 0 xdata/endf71x/Rh/45105.714nc + 45105.85c 45105.85c 1 45105 0 104.901157 0 0 xdata/endf71x/Rh/45105.715nc + Rh-105.85c 45105.85c 1 45105 0 104.901157 0 0 xdata/endf71x/Rh/45105.715nc + 45105.86c 45105.86c 1 45105 0 104.901157 250 0 xdata/endf71x/Rh/45105.716nc + Rh-105.86c 45105.86c 1 45105 0 104.901157 250 0 xdata/endf71x/Rh/45105.716nc + 46102.80c 46102.80c 1 46102 0 101.905623 294 0 xdata/endf71x/Pd/46102.710nc + Pd-102.80c 46102.80c 1 46102 0 101.905623 294 0 xdata/endf71x/Pd/46102.710nc + 46102.81c 46102.81c 1 46102 0 101.905623 600 0 xdata/endf71x/Pd/46102.711nc + Pd-102.81c 46102.81c 1 46102 0 101.905623 600 0 xdata/endf71x/Pd/46102.711nc + 46102.82c 46102.82c 1 46102 0 101.905623 900 0 xdata/endf71x/Pd/46102.712nc + Pd-102.82c 46102.82c 1 46102 0 101.905623 900 0 xdata/endf71x/Pd/46102.712nc + 46102.83c 46102.83c 1 46102 0 101.905623 1200 0 xdata/endf71x/Pd/46102.713nc + Pd-102.83c 46102.83c 1 46102 0 101.905623 1200 0 xdata/endf71x/Pd/46102.713nc + 46102.84c 46102.84c 1 46102 0 101.905623 2500 0 xdata/endf71x/Pd/46102.714nc + Pd-102.84c 46102.84c 1 46102 0 101.905623 2500 0 xdata/endf71x/Pd/46102.714nc + 46102.85c 46102.85c 1 46102 0 101.905623 0 0 xdata/endf71x/Pd/46102.715nc + Pd-102.85c 46102.85c 1 46102 0 101.905623 0 0 xdata/endf71x/Pd/46102.715nc + 46102.86c 46102.86c 1 46102 0 101.905623 250 0 xdata/endf71x/Pd/46102.716nc + Pd-102.86c 46102.86c 1 46102 0 101.905623 250 0 xdata/endf71x/Pd/46102.716nc + 46104.80c 46104.80c 1 46104 0 103.903990 294 0 xdata/endf71x/Pd/46104.710nc + Pd-104.80c 46104.80c 1 46104 0 103.903990 294 0 xdata/endf71x/Pd/46104.710nc + 46104.81c 46104.81c 1 46104 0 103.903990 600 0 xdata/endf71x/Pd/46104.711nc + Pd-104.81c 46104.81c 1 46104 0 103.903990 600 0 xdata/endf71x/Pd/46104.711nc + 46104.82c 46104.82c 1 46104 0 103.903990 900 0 xdata/endf71x/Pd/46104.712nc + Pd-104.82c 46104.82c 1 46104 0 103.903990 900 0 xdata/endf71x/Pd/46104.712nc + 46104.83c 46104.83c 1 46104 0 103.903990 1200 0 xdata/endf71x/Pd/46104.713nc + Pd-104.83c 46104.83c 1 46104 0 103.903990 1200 0 xdata/endf71x/Pd/46104.713nc + 46104.84c 46104.84c 1 46104 0 103.903990 2500 0 xdata/endf71x/Pd/46104.714nc + Pd-104.84c 46104.84c 1 46104 0 103.903990 2500 0 xdata/endf71x/Pd/46104.714nc + 46104.85c 46104.85c 1 46104 0 103.903990 0 0 xdata/endf71x/Pd/46104.715nc + Pd-104.85c 46104.85c 1 46104 0 103.903990 0 0 xdata/endf71x/Pd/46104.715nc + 46104.86c 46104.86c 1 46104 0 103.903990 250 0 xdata/endf71x/Pd/46104.716nc + Pd-104.86c 46104.86c 1 46104 0 103.903990 250 0 xdata/endf71x/Pd/46104.716nc + 46105.80c 46105.80c 1 46105 0 104.905191 294 0 xdata/endf71x/Pd/46105.710nc + Pd-105.80c 46105.80c 1 46105 0 104.905191 294 0 xdata/endf71x/Pd/46105.710nc + 46105.81c 46105.81c 1 46105 0 104.905191 600 0 xdata/endf71x/Pd/46105.711nc + Pd-105.81c 46105.81c 1 46105 0 104.905191 600 0 xdata/endf71x/Pd/46105.711nc + 46105.82c 46105.82c 1 46105 0 104.905191 900 0 xdata/endf71x/Pd/46105.712nc + Pd-105.82c 46105.82c 1 46105 0 104.905191 900 0 xdata/endf71x/Pd/46105.712nc + 46105.83c 46105.83c 1 46105 0 104.905191 1200 0 xdata/endf71x/Pd/46105.713nc + Pd-105.83c 46105.83c 1 46105 0 104.905191 1200 0 xdata/endf71x/Pd/46105.713nc + 46105.84c 46105.84c 1 46105 0 104.905191 2500 0 xdata/endf71x/Pd/46105.714nc + Pd-105.84c 46105.84c 1 46105 0 104.905191 2500 0 xdata/endf71x/Pd/46105.714nc + 46105.85c 46105.85c 1 46105 0 104.905191 0 0 xdata/endf71x/Pd/46105.715nc + Pd-105.85c 46105.85c 1 46105 0 104.905191 0 0 xdata/endf71x/Pd/46105.715nc + 46105.86c 46105.86c 1 46105 0 104.905191 250 0 xdata/endf71x/Pd/46105.716nc + Pd-105.86c 46105.86c 1 46105 0 104.905191 250 0 xdata/endf71x/Pd/46105.716nc + 46106.80c 46106.80c 1 46106 0 105.903491 294 0 xdata/endf71x/Pd/46106.710nc + Pd-106.80c 46106.80c 1 46106 0 105.903491 294 0 xdata/endf71x/Pd/46106.710nc + 46106.81c 46106.81c 1 46106 0 105.903491 600 0 xdata/endf71x/Pd/46106.711nc + Pd-106.81c 46106.81c 1 46106 0 105.903491 600 0 xdata/endf71x/Pd/46106.711nc + 46106.82c 46106.82c 1 46106 0 105.903491 900 0 xdata/endf71x/Pd/46106.712nc + Pd-106.82c 46106.82c 1 46106 0 105.903491 900 0 xdata/endf71x/Pd/46106.712nc + 46106.83c 46106.83c 1 46106 0 105.903491 1200 0 xdata/endf71x/Pd/46106.713nc + Pd-106.83c 46106.83c 1 46106 0 105.903491 1200 0 xdata/endf71x/Pd/46106.713nc + 46106.84c 46106.84c 1 46106 0 105.903491 2500 0 xdata/endf71x/Pd/46106.714nc + Pd-106.84c 46106.84c 1 46106 0 105.903491 2500 0 xdata/endf71x/Pd/46106.714nc + 46106.85c 46106.85c 1 46106 0 105.903491 0 0 xdata/endf71x/Pd/46106.715nc + Pd-106.85c 46106.85c 1 46106 0 105.903491 0 0 xdata/endf71x/Pd/46106.715nc + 46106.86c 46106.86c 1 46106 0 105.903491 250 0 xdata/endf71x/Pd/46106.716nc + Pd-106.86c 46106.86c 1 46106 0 105.903491 250 0 xdata/endf71x/Pd/46106.716nc + 46107.80c 46107.80c 1 46107 0 106.905374 294 0 xdata/endf71x/Pd/46107.710nc + Pd-107.80c 46107.80c 1 46107 0 106.905374 294 0 xdata/endf71x/Pd/46107.710nc + 46107.81c 46107.81c 1 46107 0 106.905374 600 0 xdata/endf71x/Pd/46107.711nc + Pd-107.81c 46107.81c 1 46107 0 106.905374 600 0 xdata/endf71x/Pd/46107.711nc + 46107.82c 46107.82c 1 46107 0 106.905374 900 0 xdata/endf71x/Pd/46107.712nc + Pd-107.82c 46107.82c 1 46107 0 106.905374 900 0 xdata/endf71x/Pd/46107.712nc + 46107.83c 46107.83c 1 46107 0 106.905374 1200 0 xdata/endf71x/Pd/46107.713nc + Pd-107.83c 46107.83c 1 46107 0 106.905374 1200 0 xdata/endf71x/Pd/46107.713nc + 46107.84c 46107.84c 1 46107 0 106.905374 2500 0 xdata/endf71x/Pd/46107.714nc + Pd-107.84c 46107.84c 1 46107 0 106.905374 2500 0 xdata/endf71x/Pd/46107.714nc + 46107.85c 46107.85c 1 46107 0 106.905374 0 0 xdata/endf71x/Pd/46107.715nc + Pd-107.85c 46107.85c 1 46107 0 106.905374 0 0 xdata/endf71x/Pd/46107.715nc + 46107.86c 46107.86c 1 46107 0 106.905374 250 0 xdata/endf71x/Pd/46107.716nc + Pd-107.86c 46107.86c 1 46107 0 106.905374 250 0 xdata/endf71x/Pd/46107.716nc + 46108.80c 46108.80c 1 46108 0 107.903851 294 0 xdata/endf71x/Pd/46108.710nc + Pd-108.80c 46108.80c 1 46108 0 107.903851 294 0 xdata/endf71x/Pd/46108.710nc + 46108.81c 46108.81c 1 46108 0 107.903851 600 0 xdata/endf71x/Pd/46108.711nc + Pd-108.81c 46108.81c 1 46108 0 107.903851 600 0 xdata/endf71x/Pd/46108.711nc + 46108.82c 46108.82c 1 46108 0 107.903851 900 0 xdata/endf71x/Pd/46108.712nc + Pd-108.82c 46108.82c 1 46108 0 107.903851 900 0 xdata/endf71x/Pd/46108.712nc + 46108.83c 46108.83c 1 46108 0 107.903851 1200 0 xdata/endf71x/Pd/46108.713nc + Pd-108.83c 46108.83c 1 46108 0 107.903851 1200 0 xdata/endf71x/Pd/46108.713nc + 46108.84c 46108.84c 1 46108 0 107.903851 2500 0 xdata/endf71x/Pd/46108.714nc + Pd-108.84c 46108.84c 1 46108 0 107.903851 2500 0 xdata/endf71x/Pd/46108.714nc + 46108.85c 46108.85c 1 46108 0 107.903851 0 0 xdata/endf71x/Pd/46108.715nc + Pd-108.85c 46108.85c 1 46108 0 107.903851 0 0 xdata/endf71x/Pd/46108.715nc + 46108.86c 46108.86c 1 46108 0 107.903851 250 0 xdata/endf71x/Pd/46108.716nc + Pd-108.86c 46108.86c 1 46108 0 107.903851 250 0 xdata/endf71x/Pd/46108.716nc + 46110.80c 46110.80c 1 46110 0 109.905143 294 0 xdata/endf71x/Pd/46110.710nc + Pd-110.80c 46110.80c 1 46110 0 109.905143 294 0 xdata/endf71x/Pd/46110.710nc + 46110.81c 46110.81c 1 46110 0 109.905143 600 0 xdata/endf71x/Pd/46110.711nc + Pd-110.81c 46110.81c 1 46110 0 109.905143 600 0 xdata/endf71x/Pd/46110.711nc + 46110.82c 46110.82c 1 46110 0 109.905143 900 0 xdata/endf71x/Pd/46110.712nc + Pd-110.82c 46110.82c 1 46110 0 109.905143 900 0 xdata/endf71x/Pd/46110.712nc + 46110.83c 46110.83c 1 46110 0 109.905143 1200 0 xdata/endf71x/Pd/46110.713nc + Pd-110.83c 46110.83c 1 46110 0 109.905143 1200 0 xdata/endf71x/Pd/46110.713nc + 46110.84c 46110.84c 1 46110 0 109.905143 2500 0 xdata/endf71x/Pd/46110.714nc + Pd-110.84c 46110.84c 1 46110 0 109.905143 2500 0 xdata/endf71x/Pd/46110.714nc + 46110.85c 46110.85c 1 46110 0 109.905143 0 0 xdata/endf71x/Pd/46110.715nc + Pd-110.85c 46110.85c 1 46110 0 109.905143 0 0 xdata/endf71x/Pd/46110.715nc + 46110.86c 46110.86c 1 46110 0 109.905143 250 0 xdata/endf71x/Pd/46110.716nc + Pd-110.86c 46110.86c 1 46110 0 109.905143 250 0 xdata/endf71x/Pd/46110.716nc + 47107.80c 47107.80c 1 47107 0 106.905374 294 0 xdata/endf71x/Ag/47107.710nc + Ag-107.80c 47107.80c 1 47107 0 106.905374 294 0 xdata/endf71x/Ag/47107.710nc + 47107.81c 47107.81c 1 47107 0 106.905374 600 0 xdata/endf71x/Ag/47107.711nc + Ag-107.81c 47107.81c 1 47107 0 106.905374 600 0 xdata/endf71x/Ag/47107.711nc + 47107.82c 47107.82c 1 47107 0 106.905374 900 0 xdata/endf71x/Ag/47107.712nc + Ag-107.82c 47107.82c 1 47107 0 106.905374 900 0 xdata/endf71x/Ag/47107.712nc + 47107.83c 47107.83c 1 47107 0 106.905374 1200 0 xdata/endf71x/Ag/47107.713nc + Ag-107.83c 47107.83c 1 47107 0 106.905374 1200 0 xdata/endf71x/Ag/47107.713nc + 47107.84c 47107.84c 1 47107 0 106.905374 2500 0 xdata/endf71x/Ag/47107.714nc + Ag-107.84c 47107.84c 1 47107 0 106.905374 2500 0 xdata/endf71x/Ag/47107.714nc + 47107.85c 47107.85c 1 47107 0 106.905374 0 0 xdata/endf71x/Ag/47107.715nc + Ag-107.85c 47107.85c 1 47107 0 106.905374 0 0 xdata/endf71x/Ag/47107.715nc + 47107.86c 47107.86c 1 47107 0 106.905374 250 0 xdata/endf71x/Ag/47107.716nc + Ag-107.86c 47107.86c 1 47107 0 106.905374 250 0 xdata/endf71x/Ag/47107.716nc + 47109.80c 47109.80c 1 47109 0 108.904548 294 0 xdata/endf71x/Ag/47109.710nc + Ag-109.80c 47109.80c 1 47109 0 108.904548 294 0 xdata/endf71x/Ag/47109.710nc + 47109.81c 47109.81c 1 47109 0 108.904548 600 0 xdata/endf71x/Ag/47109.711nc + Ag-109.81c 47109.81c 1 47109 0 108.904548 600 0 xdata/endf71x/Ag/47109.711nc + 47109.82c 47109.82c 1 47109 0 108.904548 900 0 xdata/endf71x/Ag/47109.712nc + Ag-109.82c 47109.82c 1 47109 0 108.904548 900 0 xdata/endf71x/Ag/47109.712nc + 47109.83c 47109.83c 1 47109 0 108.904548 1200 0 xdata/endf71x/Ag/47109.713nc + Ag-109.83c 47109.83c 1 47109 0 108.904548 1200 0 xdata/endf71x/Ag/47109.713nc + 47109.84c 47109.84c 1 47109 0 108.904548 2500 0 xdata/endf71x/Ag/47109.714nc + Ag-109.84c 47109.84c 1 47109 0 108.904548 2500 0 xdata/endf71x/Ag/47109.714nc + 47109.85c 47109.85c 1 47109 0 108.904548 0 0 xdata/endf71x/Ag/47109.715nc + Ag-109.85c 47109.85c 1 47109 0 108.904548 0 0 xdata/endf71x/Ag/47109.715nc + 47109.86c 47109.86c 1 47109 0 108.904548 250 0 xdata/endf71x/Ag/47109.716nc + Ag-109.86c 47109.86c 1 47109 0 108.904548 250 0 xdata/endf71x/Ag/47109.716nc + 47510.80c 47510.80c 1 47110 1 109.906152 294 0 xdata/endf71x/Ag/1047110.710nc +Ag-110m.80c 47510.80c 1 47110 1 109.906152 294 0 xdata/endf71x/Ag/1047110.710nc + 47510.81c 47510.81c 1 47110 1 109.906152 600 0 xdata/endf71x/Ag/1047110.711nc +Ag-110m.81c 47510.81c 1 47110 1 109.906152 600 0 xdata/endf71x/Ag/1047110.711nc + 47510.82c 47510.82c 1 47110 1 109.906152 900 0 xdata/endf71x/Ag/1047110.712nc +Ag-110m.82c 47510.82c 1 47110 1 109.906152 900 0 xdata/endf71x/Ag/1047110.712nc + 47510.83c 47510.83c 1 47110 1 109.906152 1200 0 xdata/endf71x/Ag/1047110.713nc +Ag-110m.83c 47510.83c 1 47110 1 109.906152 1200 0 xdata/endf71x/Ag/1047110.713nc + 47510.84c 47510.84c 1 47110 1 109.906152 2500 0 xdata/endf71x/Ag/1047110.714nc +Ag-110m.84c 47510.84c 1 47110 1 109.906152 2500 0 xdata/endf71x/Ag/1047110.714nc + 47510.85c 47510.85c 1 47110 1 109.906152 0 0 xdata/endf71x/Ag/1047110.715nc +Ag-110m.85c 47510.85c 1 47110 1 109.906152 0 0 xdata/endf71x/Ag/1047110.715nc + 47510.86c 47510.86c 1 47110 1 109.906152 250 0 xdata/endf71x/Ag/1047110.716nc +Ag-110m.86c 47510.86c 1 47110 1 109.906152 250 0 xdata/endf71x/Ag/1047110.716nc + 47111.80c 47111.80c 1 47111 0 110.905297 294 0 xdata/endf71x/Ag/47111.710nc + Ag-111.80c 47111.80c 1 47111 0 110.905297 294 0 xdata/endf71x/Ag/47111.710nc + 47111.81c 47111.81c 1 47111 0 110.905297 600 0 xdata/endf71x/Ag/47111.711nc + Ag-111.81c 47111.81c 1 47111 0 110.905297 600 0 xdata/endf71x/Ag/47111.711nc + 47111.82c 47111.82c 1 47111 0 110.905297 900 0 xdata/endf71x/Ag/47111.712nc + Ag-111.82c 47111.82c 1 47111 0 110.905297 900 0 xdata/endf71x/Ag/47111.712nc + 47111.83c 47111.83c 1 47111 0 110.905297 1200 0 xdata/endf71x/Ag/47111.713nc + Ag-111.83c 47111.83c 1 47111 0 110.905297 1200 0 xdata/endf71x/Ag/47111.713nc + 47111.84c 47111.84c 1 47111 0 110.905297 2500 0 xdata/endf71x/Ag/47111.714nc + Ag-111.84c 47111.84c 1 47111 0 110.905297 2500 0 xdata/endf71x/Ag/47111.714nc + 47111.85c 47111.85c 1 47111 0 110.905297 0 0 xdata/endf71x/Ag/47111.715nc + Ag-111.85c 47111.85c 1 47111 0 110.905297 0 0 xdata/endf71x/Ag/47111.715nc + 47111.86c 47111.86c 1 47111 0 110.905297 250 0 xdata/endf71x/Ag/47111.716nc + Ag-111.86c 47111.86c 1 47111 0 110.905297 250 0 xdata/endf71x/Ag/47111.716nc + 48106.80c 48106.80c 1 48106 0 105.905787 294 0 xdata/endf71x/Cd/48106.710nc + Cd-106.80c 48106.80c 1 48106 0 105.905787 294 0 xdata/endf71x/Cd/48106.710nc + 48106.81c 48106.81c 1 48106 0 105.905787 600 0 xdata/endf71x/Cd/48106.711nc + Cd-106.81c 48106.81c 1 48106 0 105.905787 600 0 xdata/endf71x/Cd/48106.711nc + 48106.82c 48106.82c 1 48106 0 105.905787 900 0 xdata/endf71x/Cd/48106.712nc + Cd-106.82c 48106.82c 1 48106 0 105.905787 900 0 xdata/endf71x/Cd/48106.712nc + 48106.83c 48106.83c 1 48106 0 105.905787 1200 0 xdata/endf71x/Cd/48106.713nc + Cd-106.83c 48106.83c 1 48106 0 105.905787 1200 0 xdata/endf71x/Cd/48106.713nc + 48106.84c 48106.84c 1 48106 0 105.905787 2500 0 xdata/endf71x/Cd/48106.714nc + Cd-106.84c 48106.84c 1 48106 0 105.905787 2500 0 xdata/endf71x/Cd/48106.714nc + 48106.85c 48106.85c 1 48106 0 105.905787 0 0 xdata/endf71x/Cd/48106.715nc + Cd-106.85c 48106.85c 1 48106 0 105.905787 0 0 xdata/endf71x/Cd/48106.715nc + 48106.86c 48106.86c 1 48106 0 105.905787 250 0 xdata/endf71x/Cd/48106.716nc + Cd-106.86c 48106.86c 1 48106 0 105.905787 250 0 xdata/endf71x/Cd/48106.716nc + 48108.80c 48108.80c 1 48108 0 107.903952 294 0 xdata/endf71x/Cd/48108.710nc + Cd-108.80c 48108.80c 1 48108 0 107.903952 294 0 xdata/endf71x/Cd/48108.710nc + 48108.81c 48108.81c 1 48108 0 107.903952 600 0 xdata/endf71x/Cd/48108.711nc + Cd-108.81c 48108.81c 1 48108 0 107.903952 600 0 xdata/endf71x/Cd/48108.711nc + 48108.82c 48108.82c 1 48108 0 107.903952 900 0 xdata/endf71x/Cd/48108.712nc + Cd-108.82c 48108.82c 1 48108 0 107.903952 900 0 xdata/endf71x/Cd/48108.712nc + 48108.83c 48108.83c 1 48108 0 107.903952 1200 0 xdata/endf71x/Cd/48108.713nc + Cd-108.83c 48108.83c 1 48108 0 107.903952 1200 0 xdata/endf71x/Cd/48108.713nc + 48108.84c 48108.84c 1 48108 0 107.903952 2500 0 xdata/endf71x/Cd/48108.714nc + Cd-108.84c 48108.84c 1 48108 0 107.903952 2500 0 xdata/endf71x/Cd/48108.714nc + 48108.85c 48108.85c 1 48108 0 107.903952 0 0 xdata/endf71x/Cd/48108.715nc + Cd-108.85c 48108.85c 1 48108 0 107.903952 0 0 xdata/endf71x/Cd/48108.715nc + 48108.86c 48108.86c 1 48108 0 107.903952 250 0 xdata/endf71x/Cd/48108.716nc + Cd-108.86c 48108.86c 1 48108 0 107.903952 250 0 xdata/endf71x/Cd/48108.716nc + 48110.80c 48110.80c 1 48110 0 109.903008 294 0 xdata/endf71x/Cd/48110.710nc + Cd-110.80c 48110.80c 1 48110 0 109.903008 294 0 xdata/endf71x/Cd/48110.710nc + 48110.81c 48110.81c 1 48110 0 109.903008 600 0 xdata/endf71x/Cd/48110.711nc + Cd-110.81c 48110.81c 1 48110 0 109.903008 600 0 xdata/endf71x/Cd/48110.711nc + 48110.82c 48110.82c 1 48110 0 109.903008 900 0 xdata/endf71x/Cd/48110.712nc + Cd-110.82c 48110.82c 1 48110 0 109.903008 900 0 xdata/endf71x/Cd/48110.712nc + 48110.83c 48110.83c 1 48110 0 109.903008 1200 0 xdata/endf71x/Cd/48110.713nc + Cd-110.83c 48110.83c 1 48110 0 109.903008 1200 0 xdata/endf71x/Cd/48110.713nc + 48110.84c 48110.84c 1 48110 0 109.903008 2500 0 xdata/endf71x/Cd/48110.714nc + Cd-110.84c 48110.84c 1 48110 0 109.903008 2500 0 xdata/endf71x/Cd/48110.714nc + 48110.85c 48110.85c 1 48110 0 109.903008 0 0 xdata/endf71x/Cd/48110.715nc + Cd-110.85c 48110.85c 1 48110 0 109.903008 0 0 xdata/endf71x/Cd/48110.715nc + 48110.86c 48110.86c 1 48110 0 109.903008 250 0 xdata/endf71x/Cd/48110.716nc + Cd-110.86c 48110.86c 1 48110 0 109.903008 250 0 xdata/endf71x/Cd/48110.716nc + 48111.80c 48111.80c 1 48111 0 110.903722 294 0 xdata/endf71x/Cd/48111.710nc + Cd-111.80c 48111.80c 1 48111 0 110.903722 294 0 xdata/endf71x/Cd/48111.710nc + 48111.81c 48111.81c 1 48111 0 110.903722 600 0 xdata/endf71x/Cd/48111.711nc + Cd-111.81c 48111.81c 1 48111 0 110.903722 600 0 xdata/endf71x/Cd/48111.711nc + 48111.82c 48111.82c 1 48111 0 110.903722 900 0 xdata/endf71x/Cd/48111.712nc + Cd-111.82c 48111.82c 1 48111 0 110.903722 900 0 xdata/endf71x/Cd/48111.712nc + 48111.83c 48111.83c 1 48111 0 110.903722 1200 0 xdata/endf71x/Cd/48111.713nc + Cd-111.83c 48111.83c 1 48111 0 110.903722 1200 0 xdata/endf71x/Cd/48111.713nc + 48111.84c 48111.84c 1 48111 0 110.903722 2500 0 xdata/endf71x/Cd/48111.714nc + Cd-111.84c 48111.84c 1 48111 0 110.903722 2500 0 xdata/endf71x/Cd/48111.714nc + 48111.85c 48111.85c 1 48111 0 110.903722 0 0 xdata/endf71x/Cd/48111.715nc + Cd-111.85c 48111.85c 1 48111 0 110.903722 0 0 xdata/endf71x/Cd/48111.715nc + 48111.86c 48111.86c 1 48111 0 110.903722 250 0 xdata/endf71x/Cd/48111.716nc + Cd-111.86c 48111.86c 1 48111 0 110.903722 250 0 xdata/endf71x/Cd/48111.716nc + 48112.80c 48112.80c 1 48112 0 111.903309 294 0 xdata/endf71x/Cd/48112.710nc + Cd-112.80c 48112.80c 1 48112 0 111.903309 294 0 xdata/endf71x/Cd/48112.710nc + 48112.81c 48112.81c 1 48112 0 111.903309 600 0 xdata/endf71x/Cd/48112.711nc + Cd-112.81c 48112.81c 1 48112 0 111.903309 600 0 xdata/endf71x/Cd/48112.711nc + 48112.82c 48112.82c 1 48112 0 111.903309 900 0 xdata/endf71x/Cd/48112.712nc + Cd-112.82c 48112.82c 1 48112 0 111.903309 900 0 xdata/endf71x/Cd/48112.712nc + 48112.83c 48112.83c 1 48112 0 111.903309 1200 0 xdata/endf71x/Cd/48112.713nc + Cd-112.83c 48112.83c 1 48112 0 111.903309 1200 0 xdata/endf71x/Cd/48112.713nc + 48112.84c 48112.84c 1 48112 0 111.903309 2500 0 xdata/endf71x/Cd/48112.714nc + Cd-112.84c 48112.84c 1 48112 0 111.903309 2500 0 xdata/endf71x/Cd/48112.714nc + 48112.85c 48112.85c 1 48112 0 111.903309 0 0 xdata/endf71x/Cd/48112.715nc + Cd-112.85c 48112.85c 1 48112 0 111.903309 0 0 xdata/endf71x/Cd/48112.715nc + 48112.86c 48112.86c 1 48112 0 111.903309 250 0 xdata/endf71x/Cd/48112.716nc + Cd-112.86c 48112.86c 1 48112 0 111.903309 250 0 xdata/endf71x/Cd/48112.716nc + 48113.80c 48113.80c 1 48113 0 112.904407 294 0 xdata/endf71x/Cd/48113.710nc + Cd-113.80c 48113.80c 1 48113 0 112.904407 294 0 xdata/endf71x/Cd/48113.710nc + 48113.81c 48113.81c 1 48113 0 112.904407 600 0 xdata/endf71x/Cd/48113.711nc + Cd-113.81c 48113.81c 1 48113 0 112.904407 600 0 xdata/endf71x/Cd/48113.711nc + 48113.82c 48113.82c 1 48113 0 112.904407 900 0 xdata/endf71x/Cd/48113.712nc + Cd-113.82c 48113.82c 1 48113 0 112.904407 900 0 xdata/endf71x/Cd/48113.712nc + 48113.83c 48113.83c 1 48113 0 112.904407 1200 0 xdata/endf71x/Cd/48113.713nc + Cd-113.83c 48113.83c 1 48113 0 112.904407 1200 0 xdata/endf71x/Cd/48113.713nc + 48113.84c 48113.84c 1 48113 0 112.904407 2500 0 xdata/endf71x/Cd/48113.714nc + Cd-113.84c 48113.84c 1 48113 0 112.904407 2500 0 xdata/endf71x/Cd/48113.714nc + 48113.85c 48113.85c 1 48113 0 112.904407 0 0 xdata/endf71x/Cd/48113.715nc + Cd-113.85c 48113.85c 1 48113 0 112.904407 0 0 xdata/endf71x/Cd/48113.715nc + 48113.86c 48113.86c 1 48113 0 112.904407 250 0 xdata/endf71x/Cd/48113.716nc + Cd-113.86c 48113.86c 1 48113 0 112.904407 250 0 xdata/endf71x/Cd/48113.716nc + 48114.80c 48114.80c 1 48114 0 113.903491 294 0 xdata/endf71x/Cd/48114.710nc + Cd-114.80c 48114.80c 1 48114 0 113.903491 294 0 xdata/endf71x/Cd/48114.710nc + 48114.81c 48114.81c 1 48114 0 113.903491 600 0 xdata/endf71x/Cd/48114.711nc + Cd-114.81c 48114.81c 1 48114 0 113.903491 600 0 xdata/endf71x/Cd/48114.711nc + 48114.82c 48114.82c 1 48114 0 113.903491 900 0 xdata/endf71x/Cd/48114.712nc + Cd-114.82c 48114.82c 1 48114 0 113.903491 900 0 xdata/endf71x/Cd/48114.712nc + 48114.83c 48114.83c 1 48114 0 113.903491 1200 0 xdata/endf71x/Cd/48114.713nc + Cd-114.83c 48114.83c 1 48114 0 113.903491 1200 0 xdata/endf71x/Cd/48114.713nc + 48114.84c 48114.84c 1 48114 0 113.903491 2500 0 xdata/endf71x/Cd/48114.714nc + Cd-114.84c 48114.84c 1 48114 0 113.903491 2500 0 xdata/endf71x/Cd/48114.714nc + 48114.85c 48114.85c 1 48114 0 113.903491 0 0 xdata/endf71x/Cd/48114.715nc + Cd-114.85c 48114.85c 1 48114 0 113.903491 0 0 xdata/endf71x/Cd/48114.715nc + 48114.86c 48114.86c 1 48114 0 113.903491 250 0 xdata/endf71x/Cd/48114.716nc + Cd-114.86c 48114.86c 1 48114 0 113.903491 250 0 xdata/endf71x/Cd/48114.716nc + 48515.80c 48515.80c 1 48115 1 114.905096 294 0 xdata/endf71x/Cd/1048115.710nc +Cd-115m.80c 48515.80c 1 48115 1 114.905096 294 0 xdata/endf71x/Cd/1048115.710nc + 48515.81c 48515.81c 1 48115 1 114.905096 600 0 xdata/endf71x/Cd/1048115.711nc +Cd-115m.81c 48515.81c 1 48115 1 114.905096 600 0 xdata/endf71x/Cd/1048115.711nc + 48515.82c 48515.82c 1 48115 1 114.905096 900 0 xdata/endf71x/Cd/1048115.712nc +Cd-115m.82c 48515.82c 1 48115 1 114.905096 900 0 xdata/endf71x/Cd/1048115.712nc + 48515.83c 48515.83c 1 48115 1 114.905096 1200 0 xdata/endf71x/Cd/1048115.713nc +Cd-115m.83c 48515.83c 1 48115 1 114.905096 1200 0 xdata/endf71x/Cd/1048115.713nc + 48515.84c 48515.84c 1 48115 1 114.905096 2500 0 xdata/endf71x/Cd/1048115.714nc +Cd-115m.84c 48515.84c 1 48115 1 114.905096 2500 0 xdata/endf71x/Cd/1048115.714nc + 48515.85c 48515.85c 1 48115 1 114.905096 0 0 xdata/endf71x/Cd/1048115.715nc +Cd-115m.85c 48515.85c 1 48115 1 114.905096 0 0 xdata/endf71x/Cd/1048115.715nc + 48515.86c 48515.86c 1 48115 1 114.905096 250 0 xdata/endf71x/Cd/1048115.716nc +Cd-115m.86c 48515.86c 1 48115 1 114.905096 250 0 xdata/endf71x/Cd/1048115.716nc + 48116.80c 48116.80c 1 48116 0 115.904762 294 0 xdata/endf71x/Cd/48116.710nc + Cd-116.80c 48116.80c 1 48116 0 115.904762 294 0 xdata/endf71x/Cd/48116.710nc + 48116.81c 48116.81c 1 48116 0 115.904762 600 0 xdata/endf71x/Cd/48116.711nc + Cd-116.81c 48116.81c 1 48116 0 115.904762 600 0 xdata/endf71x/Cd/48116.711nc + 48116.82c 48116.82c 1 48116 0 115.904762 900 0 xdata/endf71x/Cd/48116.712nc + Cd-116.82c 48116.82c 1 48116 0 115.904762 900 0 xdata/endf71x/Cd/48116.712nc + 48116.83c 48116.83c 1 48116 0 115.904762 1200 0 xdata/endf71x/Cd/48116.713nc + Cd-116.83c 48116.83c 1 48116 0 115.904762 1200 0 xdata/endf71x/Cd/48116.713nc + 48116.84c 48116.84c 1 48116 0 115.904762 2500 0 xdata/endf71x/Cd/48116.714nc + Cd-116.84c 48116.84c 1 48116 0 115.904762 2500 0 xdata/endf71x/Cd/48116.714nc + 48116.85c 48116.85c 1 48116 0 115.904762 0 0 xdata/endf71x/Cd/48116.715nc + Cd-116.85c 48116.85c 1 48116 0 115.904762 0 0 xdata/endf71x/Cd/48116.715nc + 48116.86c 48116.86c 1 48116 0 115.904762 250 0 xdata/endf71x/Cd/48116.716nc + Cd-116.86c 48116.86c 1 48116 0 115.904762 250 0 xdata/endf71x/Cd/48116.716nc + 49113.80c 49113.80c 1 49113 0 112.903904 294 0 xdata/endf71x/In/49113.710nc + In-113.80c 49113.80c 1 49113 0 112.903904 294 0 xdata/endf71x/In/49113.710nc + 49113.81c 49113.81c 1 49113 0 112.903904 600 0 xdata/endf71x/In/49113.711nc + In-113.81c 49113.81c 1 49113 0 112.903904 600 0 xdata/endf71x/In/49113.711nc + 49113.82c 49113.82c 1 49113 0 112.903904 900 0 xdata/endf71x/In/49113.712nc + In-113.82c 49113.82c 1 49113 0 112.903904 900 0 xdata/endf71x/In/49113.712nc + 49113.83c 49113.83c 1 49113 0 112.903904 1200 0 xdata/endf71x/In/49113.713nc + In-113.83c 49113.83c 1 49113 0 112.903904 1200 0 xdata/endf71x/In/49113.713nc + 49113.84c 49113.84c 1 49113 0 112.903904 2500 0 xdata/endf71x/In/49113.714nc + In-113.84c 49113.84c 1 49113 0 112.903904 2500 0 xdata/endf71x/In/49113.714nc + 49113.85c 49113.85c 1 49113 0 112.903904 0 0 xdata/endf71x/In/49113.715nc + In-113.85c 49113.85c 1 49113 0 112.903904 0 0 xdata/endf71x/In/49113.715nc + 49113.86c 49113.86c 1 49113 0 112.903904 250 0 xdata/endf71x/In/49113.716nc + In-113.86c 49113.86c 1 49113 0 112.903904 250 0 xdata/endf71x/In/49113.716nc + 49115.80c 49115.80c 1 49115 0 114.903884 294 0 xdata/endf71x/In/49115.710nc + In-115.80c 49115.80c 1 49115 0 114.903884 294 0 xdata/endf71x/In/49115.710nc + 49115.81c 49115.81c 1 49115 0 114.903884 600 0 xdata/endf71x/In/49115.711nc + In-115.81c 49115.81c 1 49115 0 114.903884 600 0 xdata/endf71x/In/49115.711nc + 49115.82c 49115.82c 1 49115 0 114.903884 900 0 xdata/endf71x/In/49115.712nc + In-115.82c 49115.82c 1 49115 0 114.903884 900 0 xdata/endf71x/In/49115.712nc + 49115.83c 49115.83c 1 49115 0 114.903884 1200 0 xdata/endf71x/In/49115.713nc + In-115.83c 49115.83c 1 49115 0 114.903884 1200 0 xdata/endf71x/In/49115.713nc + 49115.84c 49115.84c 1 49115 0 114.903884 2500 0 xdata/endf71x/In/49115.714nc + In-115.84c 49115.84c 1 49115 0 114.903884 2500 0 xdata/endf71x/In/49115.714nc + 49115.85c 49115.85c 1 49115 0 114.903884 0 0 xdata/endf71x/In/49115.715nc + In-115.85c 49115.85c 1 49115 0 114.903884 0 0 xdata/endf71x/In/49115.715nc + 49115.86c 49115.86c 1 49115 0 114.903884 250 0 xdata/endf71x/In/49115.716nc + In-115.86c 49115.86c 1 49115 0 114.903884 250 0 xdata/endf71x/In/49115.716nc + 50112.80c 50112.80c 1 50112 0 111.905326 294 0 xdata/endf71x/Sn/50112.710nc + Sn-112.80c 50112.80c 1 50112 0 111.905326 294 0 xdata/endf71x/Sn/50112.710nc + 50112.81c 50112.81c 1 50112 0 111.905326 600 0 xdata/endf71x/Sn/50112.711nc + Sn-112.81c 50112.81c 1 50112 0 111.905326 600 0 xdata/endf71x/Sn/50112.711nc + 50112.82c 50112.82c 1 50112 0 111.905326 900 0 xdata/endf71x/Sn/50112.712nc + Sn-112.82c 50112.82c 1 50112 0 111.905326 900 0 xdata/endf71x/Sn/50112.712nc + 50112.83c 50112.83c 1 50112 0 111.905326 1200 0 xdata/endf71x/Sn/50112.713nc + Sn-112.83c 50112.83c 1 50112 0 111.905326 1200 0 xdata/endf71x/Sn/50112.713nc + 50112.84c 50112.84c 1 50112 0 111.905326 2500 0 xdata/endf71x/Sn/50112.714nc + Sn-112.84c 50112.84c 1 50112 0 111.905326 2500 0 xdata/endf71x/Sn/50112.714nc + 50112.85c 50112.85c 1 50112 0 111.905326 0 0 xdata/endf71x/Sn/50112.715nc + Sn-112.85c 50112.85c 1 50112 0 111.905326 0 0 xdata/endf71x/Sn/50112.715nc + 50112.86c 50112.86c 1 50112 0 111.905326 250 0 xdata/endf71x/Sn/50112.716nc + Sn-112.86c 50112.86c 1 50112 0 111.905326 250 0 xdata/endf71x/Sn/50112.716nc + 50113.80c 50113.80c 1 50113 0 112.904913 294 0 xdata/endf71x/Sn/50113.710nc + Sn-113.80c 50113.80c 1 50113 0 112.904913 294 0 xdata/endf71x/Sn/50113.710nc + 50113.81c 50113.81c 1 50113 0 112.904913 600 0 xdata/endf71x/Sn/50113.711nc + Sn-113.81c 50113.81c 1 50113 0 112.904913 600 0 xdata/endf71x/Sn/50113.711nc + 50113.82c 50113.82c 1 50113 0 112.904913 900 0 xdata/endf71x/Sn/50113.712nc + Sn-113.82c 50113.82c 1 50113 0 112.904913 900 0 xdata/endf71x/Sn/50113.712nc + 50113.83c 50113.83c 1 50113 0 112.904913 1200 0 xdata/endf71x/Sn/50113.713nc + Sn-113.83c 50113.83c 1 50113 0 112.904913 1200 0 xdata/endf71x/Sn/50113.713nc + 50113.84c 50113.84c 1 50113 0 112.904913 2500 0 xdata/endf71x/Sn/50113.714nc + Sn-113.84c 50113.84c 1 50113 0 112.904913 2500 0 xdata/endf71x/Sn/50113.714nc + 50113.85c 50113.85c 1 50113 0 112.904913 0 0 xdata/endf71x/Sn/50113.715nc + Sn-113.85c 50113.85c 1 50113 0 112.904913 0 0 xdata/endf71x/Sn/50113.715nc + 50113.86c 50113.86c 1 50113 0 112.904913 250 0 xdata/endf71x/Sn/50113.716nc + Sn-113.86c 50113.86c 1 50113 0 112.904913 250 0 xdata/endf71x/Sn/50113.716nc + 50114.80c 50114.80c 1 50114 0 113.902785 294 0 xdata/endf71x/Sn/50114.710nc + Sn-114.80c 50114.80c 1 50114 0 113.902785 294 0 xdata/endf71x/Sn/50114.710nc + 50114.81c 50114.81c 1 50114 0 113.902785 600 0 xdata/endf71x/Sn/50114.711nc + Sn-114.81c 50114.81c 1 50114 0 113.902785 600 0 xdata/endf71x/Sn/50114.711nc + 50114.82c 50114.82c 1 50114 0 113.902785 900 0 xdata/endf71x/Sn/50114.712nc + Sn-114.82c 50114.82c 1 50114 0 113.902785 900 0 xdata/endf71x/Sn/50114.712nc + 50114.83c 50114.83c 1 50114 0 113.902785 1200 0 xdata/endf71x/Sn/50114.713nc + Sn-114.83c 50114.83c 1 50114 0 113.902785 1200 0 xdata/endf71x/Sn/50114.713nc + 50114.84c 50114.84c 1 50114 0 113.902785 2500 0 xdata/endf71x/Sn/50114.714nc + Sn-114.84c 50114.84c 1 50114 0 113.902785 2500 0 xdata/endf71x/Sn/50114.714nc + 50114.85c 50114.85c 1 50114 0 113.902785 0 0 xdata/endf71x/Sn/50114.715nc + Sn-114.85c 50114.85c 1 50114 0 113.902785 0 0 xdata/endf71x/Sn/50114.715nc + 50114.86c 50114.86c 1 50114 0 113.902785 250 0 xdata/endf71x/Sn/50114.716nc + Sn-114.86c 50114.86c 1 50114 0 113.902785 250 0 xdata/endf71x/Sn/50114.716nc + 50115.80c 50115.80c 1 50115 0 114.903078 294 0 xdata/endf71x/Sn/50115.710nc + Sn-115.80c 50115.80c 1 50115 0 114.903078 294 0 xdata/endf71x/Sn/50115.710nc + 50115.81c 50115.81c 1 50115 0 114.903078 600 0 xdata/endf71x/Sn/50115.711nc + Sn-115.81c 50115.81c 1 50115 0 114.903078 600 0 xdata/endf71x/Sn/50115.711nc + 50115.82c 50115.82c 1 50115 0 114.903078 900 0 xdata/endf71x/Sn/50115.712nc + Sn-115.82c 50115.82c 1 50115 0 114.903078 900 0 xdata/endf71x/Sn/50115.712nc + 50115.83c 50115.83c 1 50115 0 114.903078 1200 0 xdata/endf71x/Sn/50115.713nc + Sn-115.83c 50115.83c 1 50115 0 114.903078 1200 0 xdata/endf71x/Sn/50115.713nc + 50115.84c 50115.84c 1 50115 0 114.903078 2500 0 xdata/endf71x/Sn/50115.714nc + Sn-115.84c 50115.84c 1 50115 0 114.903078 2500 0 xdata/endf71x/Sn/50115.714nc + 50115.85c 50115.85c 1 50115 0 114.903078 0 0 xdata/endf71x/Sn/50115.715nc + Sn-115.85c 50115.85c 1 50115 0 114.903078 0 0 xdata/endf71x/Sn/50115.715nc + 50115.86c 50115.86c 1 50115 0 114.903078 250 0 xdata/endf71x/Sn/50115.716nc + Sn-115.86c 50115.86c 1 50115 0 114.903078 250 0 xdata/endf71x/Sn/50115.716nc + 50116.80c 50116.80c 1 50116 0 115.901657 294 0 xdata/endf71x/Sn/50116.710nc + Sn-116.80c 50116.80c 1 50116 0 115.901657 294 0 xdata/endf71x/Sn/50116.710nc + 50116.81c 50116.81c 1 50116 0 115.901657 600 0 xdata/endf71x/Sn/50116.711nc + Sn-116.81c 50116.81c 1 50116 0 115.901657 600 0 xdata/endf71x/Sn/50116.711nc + 50116.82c 50116.82c 1 50116 0 115.901657 900 0 xdata/endf71x/Sn/50116.712nc + Sn-116.82c 50116.82c 1 50116 0 115.901657 900 0 xdata/endf71x/Sn/50116.712nc + 50116.83c 50116.83c 1 50116 0 115.901657 1200 0 xdata/endf71x/Sn/50116.713nc + Sn-116.83c 50116.83c 1 50116 0 115.901657 1200 0 xdata/endf71x/Sn/50116.713nc + 50116.84c 50116.84c 1 50116 0 115.901657 2500 0 xdata/endf71x/Sn/50116.714nc + Sn-116.84c 50116.84c 1 50116 0 115.901657 2500 0 xdata/endf71x/Sn/50116.714nc + 50116.85c 50116.85c 1 50116 0 115.901657 0 0 xdata/endf71x/Sn/50116.715nc + Sn-116.85c 50116.85c 1 50116 0 115.901657 0 0 xdata/endf71x/Sn/50116.715nc + 50116.86c 50116.86c 1 50116 0 115.901657 250 0 xdata/endf71x/Sn/50116.716nc + Sn-116.86c 50116.86c 1 50116 0 115.901657 250 0 xdata/endf71x/Sn/50116.716nc + 50117.80c 50117.80c 1 50117 0 116.902958 294 0 xdata/endf71x/Sn/50117.710nc + Sn-117.80c 50117.80c 1 50117 0 116.902958 294 0 xdata/endf71x/Sn/50117.710nc + 50117.81c 50117.81c 1 50117 0 116.902958 600 0 xdata/endf71x/Sn/50117.711nc + Sn-117.81c 50117.81c 1 50117 0 116.902958 600 0 xdata/endf71x/Sn/50117.711nc + 50117.82c 50117.82c 1 50117 0 116.902958 900 0 xdata/endf71x/Sn/50117.712nc + Sn-117.82c 50117.82c 1 50117 0 116.902958 900 0 xdata/endf71x/Sn/50117.712nc + 50117.83c 50117.83c 1 50117 0 116.902958 1200 0 xdata/endf71x/Sn/50117.713nc + Sn-117.83c 50117.83c 1 50117 0 116.902958 1200 0 xdata/endf71x/Sn/50117.713nc + 50117.84c 50117.84c 1 50117 0 116.902958 2500 0 xdata/endf71x/Sn/50117.714nc + Sn-117.84c 50117.84c 1 50117 0 116.902958 2500 0 xdata/endf71x/Sn/50117.714nc + 50117.85c 50117.85c 1 50117 0 116.902958 0 0 xdata/endf71x/Sn/50117.715nc + Sn-117.85c 50117.85c 1 50117 0 116.902958 0 0 xdata/endf71x/Sn/50117.715nc + 50117.86c 50117.86c 1 50117 0 116.902958 250 0 xdata/endf71x/Sn/50117.716nc + Sn-117.86c 50117.86c 1 50117 0 116.902958 250 0 xdata/endf71x/Sn/50117.716nc + 50118.80c 50118.80c 1 50118 0 117.901839 294 0 xdata/endf71x/Sn/50118.710nc + Sn-118.80c 50118.80c 1 50118 0 117.901839 294 0 xdata/endf71x/Sn/50118.710nc + 50118.81c 50118.81c 1 50118 0 117.901839 600 0 xdata/endf71x/Sn/50118.711nc + Sn-118.81c 50118.81c 1 50118 0 117.901839 600 0 xdata/endf71x/Sn/50118.711nc + 50118.82c 50118.82c 1 50118 0 117.901839 900 0 xdata/endf71x/Sn/50118.712nc + Sn-118.82c 50118.82c 1 50118 0 117.901839 900 0 xdata/endf71x/Sn/50118.712nc + 50118.83c 50118.83c 1 50118 0 117.901839 1200 0 xdata/endf71x/Sn/50118.713nc + Sn-118.83c 50118.83c 1 50118 0 117.901839 1200 0 xdata/endf71x/Sn/50118.713nc + 50118.84c 50118.84c 1 50118 0 117.901839 2500 0 xdata/endf71x/Sn/50118.714nc + Sn-118.84c 50118.84c 1 50118 0 117.901839 2500 0 xdata/endf71x/Sn/50118.714nc + 50118.85c 50118.85c 1 50118 0 117.901839 0 0 xdata/endf71x/Sn/50118.715nc + Sn-118.85c 50118.85c 1 50118 0 117.901839 0 0 xdata/endf71x/Sn/50118.715nc + 50118.86c 50118.86c 1 50118 0 117.901839 250 0 xdata/endf71x/Sn/50118.716nc + Sn-118.86c 50118.86c 1 50118 0 117.901839 250 0 xdata/endf71x/Sn/50118.716nc + 50119.80c 50119.80c 1 50119 0 118.903444 294 0 xdata/endf71x/Sn/50119.710nc + Sn-119.80c 50119.80c 1 50119 0 118.903444 294 0 xdata/endf71x/Sn/50119.710nc + 50119.81c 50119.81c 1 50119 0 118.903444 600 0 xdata/endf71x/Sn/50119.711nc + Sn-119.81c 50119.81c 1 50119 0 118.903444 600 0 xdata/endf71x/Sn/50119.711nc + 50119.82c 50119.82c 1 50119 0 118.903444 900 0 xdata/endf71x/Sn/50119.712nc + Sn-119.82c 50119.82c 1 50119 0 118.903444 900 0 xdata/endf71x/Sn/50119.712nc + 50119.83c 50119.83c 1 50119 0 118.903444 1200 0 xdata/endf71x/Sn/50119.713nc + Sn-119.83c 50119.83c 1 50119 0 118.903444 1200 0 xdata/endf71x/Sn/50119.713nc + 50119.84c 50119.84c 1 50119 0 118.903444 2500 0 xdata/endf71x/Sn/50119.714nc + Sn-119.84c 50119.84c 1 50119 0 118.903444 2500 0 xdata/endf71x/Sn/50119.714nc + 50119.85c 50119.85c 1 50119 0 118.903444 0 0 xdata/endf71x/Sn/50119.715nc + Sn-119.85c 50119.85c 1 50119 0 118.903444 0 0 xdata/endf71x/Sn/50119.715nc + 50119.86c 50119.86c 1 50119 0 118.903444 250 0 xdata/endf71x/Sn/50119.716nc + Sn-119.86c 50119.86c 1 50119 0 118.903444 250 0 xdata/endf71x/Sn/50119.716nc + 50120.80c 50120.80c 1 50120 0 119.902201 294 0 xdata/endf71x/Sn/50120.710nc + Sn-120.80c 50120.80c 1 50120 0 119.902201 294 0 xdata/endf71x/Sn/50120.710nc + 50120.81c 50120.81c 1 50120 0 119.902201 600 0 xdata/endf71x/Sn/50120.711nc + Sn-120.81c 50120.81c 1 50120 0 119.902201 600 0 xdata/endf71x/Sn/50120.711nc + 50120.82c 50120.82c 1 50120 0 119.902201 900 0 xdata/endf71x/Sn/50120.712nc + Sn-120.82c 50120.82c 1 50120 0 119.902201 900 0 xdata/endf71x/Sn/50120.712nc + 50120.83c 50120.83c 1 50120 0 119.902201 1200 0 xdata/endf71x/Sn/50120.713nc + Sn-120.83c 50120.83c 1 50120 0 119.902201 1200 0 xdata/endf71x/Sn/50120.713nc + 50120.84c 50120.84c 1 50120 0 119.902201 2500 0 xdata/endf71x/Sn/50120.714nc + Sn-120.84c 50120.84c 1 50120 0 119.902201 2500 0 xdata/endf71x/Sn/50120.714nc + 50120.85c 50120.85c 1 50120 0 119.902201 0 0 xdata/endf71x/Sn/50120.715nc + Sn-120.85c 50120.85c 1 50120 0 119.902201 0 0 xdata/endf71x/Sn/50120.715nc + 50120.86c 50120.86c 1 50120 0 119.902201 250 0 xdata/endf71x/Sn/50120.716nc + Sn-120.86c 50120.86c 1 50120 0 119.902201 250 0 xdata/endf71x/Sn/50120.716nc + 50122.80c 50122.80c 1 50122 0 121.903213 294 0 xdata/endf71x/Sn/50122.710nc + Sn-122.80c 50122.80c 1 50122 0 121.903213 294 0 xdata/endf71x/Sn/50122.710nc + 50122.81c 50122.81c 1 50122 0 121.903213 600 0 xdata/endf71x/Sn/50122.711nc + Sn-122.81c 50122.81c 1 50122 0 121.903213 600 0 xdata/endf71x/Sn/50122.711nc + 50122.82c 50122.82c 1 50122 0 121.903213 900 0 xdata/endf71x/Sn/50122.712nc + Sn-122.82c 50122.82c 1 50122 0 121.903213 900 0 xdata/endf71x/Sn/50122.712nc + 50122.83c 50122.83c 1 50122 0 121.903213 1200 0 xdata/endf71x/Sn/50122.713nc + Sn-122.83c 50122.83c 1 50122 0 121.903213 1200 0 xdata/endf71x/Sn/50122.713nc + 50122.84c 50122.84c 1 50122 0 121.903213 2500 0 xdata/endf71x/Sn/50122.714nc + Sn-122.84c 50122.84c 1 50122 0 121.903213 2500 0 xdata/endf71x/Sn/50122.714nc + 50122.85c 50122.85c 1 50122 0 121.903213 0 0 xdata/endf71x/Sn/50122.715nc + Sn-122.85c 50122.85c 1 50122 0 121.903213 0 0 xdata/endf71x/Sn/50122.715nc + 50122.86c 50122.86c 1 50122 0 121.903213 250 0 xdata/endf71x/Sn/50122.716nc + Sn-122.86c 50122.86c 1 50122 0 121.903213 250 0 xdata/endf71x/Sn/50122.716nc + 50123.80c 50123.80c 1 50123 0 122.905727 294 0 xdata/endf71x/Sn/50123.710nc + Sn-123.80c 50123.80c 1 50123 0 122.905727 294 0 xdata/endf71x/Sn/50123.710nc + 50123.81c 50123.81c 1 50123 0 122.905727 600 0 xdata/endf71x/Sn/50123.711nc + Sn-123.81c 50123.81c 1 50123 0 122.905727 600 0 xdata/endf71x/Sn/50123.711nc + 50123.82c 50123.82c 1 50123 0 122.905727 900 0 xdata/endf71x/Sn/50123.712nc + Sn-123.82c 50123.82c 1 50123 0 122.905727 900 0 xdata/endf71x/Sn/50123.712nc + 50123.83c 50123.83c 1 50123 0 122.905727 1200 0 xdata/endf71x/Sn/50123.713nc + Sn-123.83c 50123.83c 1 50123 0 122.905727 1200 0 xdata/endf71x/Sn/50123.713nc + 50123.84c 50123.84c 1 50123 0 122.905727 2500 0 xdata/endf71x/Sn/50123.714nc + Sn-123.84c 50123.84c 1 50123 0 122.905727 2500 0 xdata/endf71x/Sn/50123.714nc + 50123.85c 50123.85c 1 50123 0 122.905727 0 0 xdata/endf71x/Sn/50123.715nc + Sn-123.85c 50123.85c 1 50123 0 122.905727 0 0 xdata/endf71x/Sn/50123.715nc + 50123.86c 50123.86c 1 50123 0 122.905727 250 0 xdata/endf71x/Sn/50123.716nc + Sn-123.86c 50123.86c 1 50123 0 122.905727 250 0 xdata/endf71x/Sn/50123.716nc + 50124.80c 50124.80c 1 50124 0 123.905413 294 0 xdata/endf71x/Sn/50124.710nc + Sn-124.80c 50124.80c 1 50124 0 123.905413 294 0 xdata/endf71x/Sn/50124.710nc + 50124.81c 50124.81c 1 50124 0 123.905413 600 0 xdata/endf71x/Sn/50124.711nc + Sn-124.81c 50124.81c 1 50124 0 123.905413 600 0 xdata/endf71x/Sn/50124.711nc + 50124.82c 50124.82c 1 50124 0 123.905413 900 0 xdata/endf71x/Sn/50124.712nc + Sn-124.82c 50124.82c 1 50124 0 123.905413 900 0 xdata/endf71x/Sn/50124.712nc + 50124.83c 50124.83c 1 50124 0 123.905413 1200 0 xdata/endf71x/Sn/50124.713nc + Sn-124.83c 50124.83c 1 50124 0 123.905413 1200 0 xdata/endf71x/Sn/50124.713nc + 50124.84c 50124.84c 1 50124 0 123.905413 2500 0 xdata/endf71x/Sn/50124.714nc + Sn-124.84c 50124.84c 1 50124 0 123.905413 2500 0 xdata/endf71x/Sn/50124.714nc + 50124.85c 50124.85c 1 50124 0 123.905413 0 0 xdata/endf71x/Sn/50124.715nc + Sn-124.85c 50124.85c 1 50124 0 123.905413 0 0 xdata/endf71x/Sn/50124.715nc + 50124.86c 50124.86c 1 50124 0 123.905413 250 0 xdata/endf71x/Sn/50124.716nc + Sn-124.86c 50124.86c 1 50124 0 123.905413 250 0 xdata/endf71x/Sn/50124.716nc + 50125.80c 50125.80c 1 50125 0 124.908026 294 0 xdata/endf71x/Sn/50125.710nc + Sn-125.80c 50125.80c 1 50125 0 124.908026 294 0 xdata/endf71x/Sn/50125.710nc + 50125.81c 50125.81c 1 50125 0 124.908026 600 0 xdata/endf71x/Sn/50125.711nc + Sn-125.81c 50125.81c 1 50125 0 124.908026 600 0 xdata/endf71x/Sn/50125.711nc + 50125.82c 50125.82c 1 50125 0 124.908026 900 0 xdata/endf71x/Sn/50125.712nc + Sn-125.82c 50125.82c 1 50125 0 124.908026 900 0 xdata/endf71x/Sn/50125.712nc + 50125.83c 50125.83c 1 50125 0 124.908026 1200 0 xdata/endf71x/Sn/50125.713nc + Sn-125.83c 50125.83c 1 50125 0 124.908026 1200 0 xdata/endf71x/Sn/50125.713nc + 50125.84c 50125.84c 1 50125 0 124.908026 2500 0 xdata/endf71x/Sn/50125.714nc + Sn-125.84c 50125.84c 1 50125 0 124.908026 2500 0 xdata/endf71x/Sn/50125.714nc + 50125.85c 50125.85c 1 50125 0 124.908026 0 0 xdata/endf71x/Sn/50125.715nc + Sn-125.85c 50125.85c 1 50125 0 124.908026 0 0 xdata/endf71x/Sn/50125.715nc + 50125.86c 50125.86c 1 50125 0 124.908026 250 0 xdata/endf71x/Sn/50125.716nc + Sn-125.86c 50125.86c 1 50125 0 124.908026 250 0 xdata/endf71x/Sn/50125.716nc + 50126.80c 50126.80c 1 50126 0 125.907660 294 0 xdata/endf71x/Sn/50126.710nc + Sn-126.80c 50126.80c 1 50126 0 125.907660 294 0 xdata/endf71x/Sn/50126.710nc + 50126.81c 50126.81c 1 50126 0 125.907660 600 0 xdata/endf71x/Sn/50126.711nc + Sn-126.81c 50126.81c 1 50126 0 125.907660 600 0 xdata/endf71x/Sn/50126.711nc + 50126.82c 50126.82c 1 50126 0 125.907660 900 0 xdata/endf71x/Sn/50126.712nc + Sn-126.82c 50126.82c 1 50126 0 125.907660 900 0 xdata/endf71x/Sn/50126.712nc + 50126.83c 50126.83c 1 50126 0 125.907660 1200 0 xdata/endf71x/Sn/50126.713nc + Sn-126.83c 50126.83c 1 50126 0 125.907660 1200 0 xdata/endf71x/Sn/50126.713nc + 50126.84c 50126.84c 1 50126 0 125.907660 2500 0 xdata/endf71x/Sn/50126.714nc + Sn-126.84c 50126.84c 1 50126 0 125.907660 2500 0 xdata/endf71x/Sn/50126.714nc + 50126.85c 50126.85c 1 50126 0 125.907660 0 0 xdata/endf71x/Sn/50126.715nc + Sn-126.85c 50126.85c 1 50126 0 125.907660 0 0 xdata/endf71x/Sn/50126.715nc + 50126.86c 50126.86c 1 50126 0 125.907660 250 0 xdata/endf71x/Sn/50126.716nc + Sn-126.86c 50126.86c 1 50126 0 125.907660 250 0 xdata/endf71x/Sn/50126.716nc + 51121.80c 51121.80c 1 51121 0 120.903822 294 0 xdata/endf71x/Sb/51121.710nc + Sb-121.80c 51121.80c 1 51121 0 120.903822 294 0 xdata/endf71x/Sb/51121.710nc + 51121.81c 51121.81c 1 51121 0 120.903822 600 0 xdata/endf71x/Sb/51121.711nc + Sb-121.81c 51121.81c 1 51121 0 120.903822 600 0 xdata/endf71x/Sb/51121.711nc + 51121.82c 51121.82c 1 51121 0 120.903822 900 0 xdata/endf71x/Sb/51121.712nc + Sb-121.82c 51121.82c 1 51121 0 120.903822 900 0 xdata/endf71x/Sb/51121.712nc + 51121.83c 51121.83c 1 51121 0 120.903822 1200 0 xdata/endf71x/Sb/51121.713nc + Sb-121.83c 51121.83c 1 51121 0 120.903822 1200 0 xdata/endf71x/Sb/51121.713nc + 51121.84c 51121.84c 1 51121 0 120.903822 2500 0 xdata/endf71x/Sb/51121.714nc + Sb-121.84c 51121.84c 1 51121 0 120.903822 2500 0 xdata/endf71x/Sb/51121.714nc + 51121.85c 51121.85c 1 51121 0 120.903822 0 0 xdata/endf71x/Sb/51121.715nc + Sb-121.85c 51121.85c 1 51121 0 120.903822 0 0 xdata/endf71x/Sb/51121.715nc + 51121.86c 51121.86c 1 51121 0 120.903822 250 0 xdata/endf71x/Sb/51121.716nc + Sb-121.86c 51121.86c 1 51121 0 120.903822 250 0 xdata/endf71x/Sb/51121.716nc + 51123.80c 51123.80c 1 51123 0 122.905826 294 0 xdata/endf71x/Sb/51123.710nc + Sb-123.80c 51123.80c 1 51123 0 122.905826 294 0 xdata/endf71x/Sb/51123.710nc + 51123.81c 51123.81c 1 51123 0 122.905826 600 0 xdata/endf71x/Sb/51123.711nc + Sb-123.81c 51123.81c 1 51123 0 122.905826 600 0 xdata/endf71x/Sb/51123.711nc + 51123.82c 51123.82c 1 51123 0 122.905826 900 0 xdata/endf71x/Sb/51123.712nc + Sb-123.82c 51123.82c 1 51123 0 122.905826 900 0 xdata/endf71x/Sb/51123.712nc + 51123.83c 51123.83c 1 51123 0 122.905826 1200 0 xdata/endf71x/Sb/51123.713nc + Sb-123.83c 51123.83c 1 51123 0 122.905826 1200 0 xdata/endf71x/Sb/51123.713nc + 51123.84c 51123.84c 1 51123 0 122.905826 2500 0 xdata/endf71x/Sb/51123.714nc + Sb-123.84c 51123.84c 1 51123 0 122.905826 2500 0 xdata/endf71x/Sb/51123.714nc + 51123.85c 51123.85c 1 51123 0 122.905826 0 0 xdata/endf71x/Sb/51123.715nc + Sb-123.85c 51123.85c 1 51123 0 122.905826 0 0 xdata/endf71x/Sb/51123.715nc + 51123.86c 51123.86c 1 51123 0 122.905826 250 0 xdata/endf71x/Sb/51123.716nc + Sb-123.86c 51123.86c 1 51123 0 122.905826 250 0 xdata/endf71x/Sb/51123.716nc + 51124.80c 51124.80c 1 51124 0 123.905942 294 0 xdata/endf71x/Sb/51124.710nc + Sb-124.80c 51124.80c 1 51124 0 123.905942 294 0 xdata/endf71x/Sb/51124.710nc + 51124.81c 51124.81c 1 51124 0 123.905942 600 0 xdata/endf71x/Sb/51124.711nc + Sb-124.81c 51124.81c 1 51124 0 123.905942 600 0 xdata/endf71x/Sb/51124.711nc + 51124.82c 51124.82c 1 51124 0 123.905942 900 0 xdata/endf71x/Sb/51124.712nc + Sb-124.82c 51124.82c 1 51124 0 123.905942 900 0 xdata/endf71x/Sb/51124.712nc + 51124.83c 51124.83c 1 51124 0 123.905942 1200 0 xdata/endf71x/Sb/51124.713nc + Sb-124.83c 51124.83c 1 51124 0 123.905942 1200 0 xdata/endf71x/Sb/51124.713nc + 51124.84c 51124.84c 1 51124 0 123.905942 2500 0 xdata/endf71x/Sb/51124.714nc + Sb-124.84c 51124.84c 1 51124 0 123.905942 2500 0 xdata/endf71x/Sb/51124.714nc + 51124.85c 51124.85c 1 51124 0 123.905942 0 0 xdata/endf71x/Sb/51124.715nc + Sb-124.85c 51124.85c 1 51124 0 123.905942 0 0 xdata/endf71x/Sb/51124.715nc + 51124.86c 51124.86c 1 51124 0 123.905942 250 0 xdata/endf71x/Sb/51124.716nc + Sb-124.86c 51124.86c 1 51124 0 123.905942 250 0 xdata/endf71x/Sb/51124.716nc + 51125.80c 51125.80c 1 51125 0 124.905000 294 0 xdata/endf71x/Sb/51125.710nc + Sb-125.80c 51125.80c 1 51125 0 124.905000 294 0 xdata/endf71x/Sb/51125.710nc + 51125.81c 51125.81c 1 51125 0 124.905000 600 0 xdata/endf71x/Sb/51125.711nc + Sb-125.81c 51125.81c 1 51125 0 124.905000 600 0 xdata/endf71x/Sb/51125.711nc + 51125.82c 51125.82c 1 51125 0 124.905000 900 0 xdata/endf71x/Sb/51125.712nc + Sb-125.82c 51125.82c 1 51125 0 124.905000 900 0 xdata/endf71x/Sb/51125.712nc + 51125.83c 51125.83c 1 51125 0 124.905000 1200 0 xdata/endf71x/Sb/51125.713nc + Sb-125.83c 51125.83c 1 51125 0 124.905000 1200 0 xdata/endf71x/Sb/51125.713nc + 51125.84c 51125.84c 1 51125 0 124.905000 2500 0 xdata/endf71x/Sb/51125.714nc + Sb-125.84c 51125.84c 1 51125 0 124.905000 2500 0 xdata/endf71x/Sb/51125.714nc + 51125.85c 51125.85c 1 51125 0 124.905000 0 0 xdata/endf71x/Sb/51125.715nc + Sb-125.85c 51125.85c 1 51125 0 124.905000 0 0 xdata/endf71x/Sb/51125.715nc + 51125.86c 51125.86c 1 51125 0 124.905000 250 0 xdata/endf71x/Sb/51125.716nc + Sb-125.86c 51125.86c 1 51125 0 124.905000 250 0 xdata/endf71x/Sb/51125.716nc + 51126.80c 51126.80c 1 51126 0 125.907613 294 0 xdata/endf71x/Sb/51126.710nc + Sb-126.80c 51126.80c 1 51126 0 125.907613 294 0 xdata/endf71x/Sb/51126.710nc + 51126.81c 51126.81c 1 51126 0 125.907613 600 0 xdata/endf71x/Sb/51126.711nc + Sb-126.81c 51126.81c 1 51126 0 125.907613 600 0 xdata/endf71x/Sb/51126.711nc + 51126.82c 51126.82c 1 51126 0 125.907613 900 0 xdata/endf71x/Sb/51126.712nc + Sb-126.82c 51126.82c 1 51126 0 125.907613 900 0 xdata/endf71x/Sb/51126.712nc + 51126.83c 51126.83c 1 51126 0 125.907613 1200 0 xdata/endf71x/Sb/51126.713nc + Sb-126.83c 51126.83c 1 51126 0 125.907613 1200 0 xdata/endf71x/Sb/51126.713nc + 51126.84c 51126.84c 1 51126 0 125.907613 2500 0 xdata/endf71x/Sb/51126.714nc + Sb-126.84c 51126.84c 1 51126 0 125.907613 2500 0 xdata/endf71x/Sb/51126.714nc + 51126.85c 51126.85c 1 51126 0 125.907613 0 0 xdata/endf71x/Sb/51126.715nc + Sb-126.85c 51126.85c 1 51126 0 125.907613 0 0 xdata/endf71x/Sb/51126.715nc + 51126.86c 51126.86c 1 51126 0 125.907613 250 0 xdata/endf71x/Sb/51126.716nc + Sb-126.86c 51126.86c 1 51126 0 125.907613 250 0 xdata/endf71x/Sb/51126.716nc + 52120.80c 52120.80c 1 52120 0 119.904026 294 0 xdata/endf71x/Te/52120.710nc + Te-120.80c 52120.80c 1 52120 0 119.904026 294 0 xdata/endf71x/Te/52120.710nc + 52120.81c 52120.81c 1 52120 0 119.904026 600 0 xdata/endf71x/Te/52120.711nc + Te-120.81c 52120.81c 1 52120 0 119.904026 600 0 xdata/endf71x/Te/52120.711nc + 52120.82c 52120.82c 1 52120 0 119.904026 900 0 xdata/endf71x/Te/52120.712nc + Te-120.82c 52120.82c 1 52120 0 119.904026 900 0 xdata/endf71x/Te/52120.712nc + 52120.83c 52120.83c 1 52120 0 119.904026 1200 0 xdata/endf71x/Te/52120.713nc + Te-120.83c 52120.83c 1 52120 0 119.904026 1200 0 xdata/endf71x/Te/52120.713nc + 52120.84c 52120.84c 1 52120 0 119.904026 2500 0 xdata/endf71x/Te/52120.714nc + Te-120.84c 52120.84c 1 52120 0 119.904026 2500 0 xdata/endf71x/Te/52120.714nc + 52120.85c 52120.85c 1 52120 0 119.904026 0 0 xdata/endf71x/Te/52120.715nc + Te-120.85c 52120.85c 1 52120 0 119.904026 0 0 xdata/endf71x/Te/52120.715nc + 52120.86c 52120.86c 1 52120 0 119.904026 250 0 xdata/endf71x/Te/52120.716nc + Te-120.86c 52120.86c 1 52120 0 119.904026 250 0 xdata/endf71x/Te/52120.716nc + 52122.80c 52122.80c 1 52122 0 121.903213 294 0 xdata/endf71x/Te/52122.710nc + Te-122.80c 52122.80c 1 52122 0 121.903213 294 0 xdata/endf71x/Te/52122.710nc + 52122.81c 52122.81c 1 52122 0 121.903213 600 0 xdata/endf71x/Te/52122.711nc + Te-122.81c 52122.81c 1 52122 0 121.903213 600 0 xdata/endf71x/Te/52122.711nc + 52122.82c 52122.82c 1 52122 0 121.903213 900 0 xdata/endf71x/Te/52122.712nc + Te-122.82c 52122.82c 1 52122 0 121.903213 900 0 xdata/endf71x/Te/52122.712nc + 52122.83c 52122.83c 1 52122 0 121.903213 1200 0 xdata/endf71x/Te/52122.713nc + Te-122.83c 52122.83c 1 52122 0 121.903213 1200 0 xdata/endf71x/Te/52122.713nc + 52122.84c 52122.84c 1 52122 0 121.903213 2500 0 xdata/endf71x/Te/52122.714nc + Te-122.84c 52122.84c 1 52122 0 121.903213 2500 0 xdata/endf71x/Te/52122.714nc + 52122.85c 52122.85c 1 52122 0 121.903213 0 0 xdata/endf71x/Te/52122.715nc + Te-122.85c 52122.85c 1 52122 0 121.903213 0 0 xdata/endf71x/Te/52122.715nc + 52122.86c 52122.86c 1 52122 0 121.903213 250 0 xdata/endf71x/Te/52122.716nc + Te-122.86c 52122.86c 1 52122 0 121.903213 250 0 xdata/endf71x/Te/52122.716nc + 52123.80c 52123.80c 1 52123 0 122.904276 294 0 xdata/endf71x/Te/52123.710nc + Te-123.80c 52123.80c 1 52123 0 122.904276 294 0 xdata/endf71x/Te/52123.710nc + 52123.81c 52123.81c 1 52123 0 122.904276 600 0 xdata/endf71x/Te/52123.711nc + Te-123.81c 52123.81c 1 52123 0 122.904276 600 0 xdata/endf71x/Te/52123.711nc + 52123.82c 52123.82c 1 52123 0 122.904276 900 0 xdata/endf71x/Te/52123.712nc + Te-123.82c 52123.82c 1 52123 0 122.904276 900 0 xdata/endf71x/Te/52123.712nc + 52123.83c 52123.83c 1 52123 0 122.904276 1200 0 xdata/endf71x/Te/52123.713nc + Te-123.83c 52123.83c 1 52123 0 122.904276 1200 0 xdata/endf71x/Te/52123.713nc + 52123.84c 52123.84c 1 52123 0 122.904276 2500 0 xdata/endf71x/Te/52123.714nc + Te-123.84c 52123.84c 1 52123 0 122.904276 2500 0 xdata/endf71x/Te/52123.714nc + 52123.85c 52123.85c 1 52123 0 122.904276 0 0 xdata/endf71x/Te/52123.715nc + Te-123.85c 52123.85c 1 52123 0 122.904276 0 0 xdata/endf71x/Te/52123.715nc + 52123.86c 52123.86c 1 52123 0 122.904276 250 0 xdata/endf71x/Te/52123.716nc + Te-123.86c 52123.86c 1 52123 0 122.904276 250 0 xdata/endf71x/Te/52123.716nc + 52124.80c 52124.80c 1 52124 0 123.903396 294 0 xdata/endf71x/Te/52124.710nc + Te-124.80c 52124.80c 1 52124 0 123.903396 294 0 xdata/endf71x/Te/52124.710nc + 52124.81c 52124.81c 1 52124 0 123.903396 600 0 xdata/endf71x/Te/52124.711nc + Te-124.81c 52124.81c 1 52124 0 123.903396 600 0 xdata/endf71x/Te/52124.711nc + 52124.82c 52124.82c 1 52124 0 123.903396 900 0 xdata/endf71x/Te/52124.712nc + Te-124.82c 52124.82c 1 52124 0 123.903396 900 0 xdata/endf71x/Te/52124.712nc + 52124.83c 52124.83c 1 52124 0 123.903396 1200 0 xdata/endf71x/Te/52124.713nc + Te-124.83c 52124.83c 1 52124 0 123.903396 1200 0 xdata/endf71x/Te/52124.713nc + 52124.84c 52124.84c 1 52124 0 123.903396 2500 0 xdata/endf71x/Te/52124.714nc + Te-124.84c 52124.84c 1 52124 0 123.903396 2500 0 xdata/endf71x/Te/52124.714nc + 52124.85c 52124.85c 1 52124 0 123.903396 0 0 xdata/endf71x/Te/52124.715nc + Te-124.85c 52124.85c 1 52124 0 123.903396 0 0 xdata/endf71x/Te/52124.715nc + 52124.86c 52124.86c 1 52124 0 123.903396 250 0 xdata/endf71x/Te/52124.716nc + Te-124.86c 52124.86c 1 52124 0 123.903396 250 0 xdata/endf71x/Te/52124.716nc + 52125.80c 52125.80c 1 52125 0 124.903992 294 0 xdata/endf71x/Te/52125.710nc + Te-125.80c 52125.80c 1 52125 0 124.903992 294 0 xdata/endf71x/Te/52125.710nc + 52125.81c 52125.81c 1 52125 0 124.903992 600 0 xdata/endf71x/Te/52125.711nc + Te-125.81c 52125.81c 1 52125 0 124.903992 600 0 xdata/endf71x/Te/52125.711nc + 52125.82c 52125.82c 1 52125 0 124.903992 900 0 xdata/endf71x/Te/52125.712nc + Te-125.82c 52125.82c 1 52125 0 124.903992 900 0 xdata/endf71x/Te/52125.712nc + 52125.83c 52125.83c 1 52125 0 124.903992 1200 0 xdata/endf71x/Te/52125.713nc + Te-125.83c 52125.83c 1 52125 0 124.903992 1200 0 xdata/endf71x/Te/52125.713nc + 52125.84c 52125.84c 1 52125 0 124.903992 2500 0 xdata/endf71x/Te/52125.714nc + Te-125.84c 52125.84c 1 52125 0 124.903992 2500 0 xdata/endf71x/Te/52125.714nc + 52125.85c 52125.85c 1 52125 0 124.903992 0 0 xdata/endf71x/Te/52125.715nc + Te-125.85c 52125.85c 1 52125 0 124.903992 0 0 xdata/endf71x/Te/52125.715nc + 52125.86c 52125.86c 1 52125 0 124.903992 250 0 xdata/endf71x/Te/52125.716nc + Te-125.86c 52125.86c 1 52125 0 124.903992 250 0 xdata/endf71x/Te/52125.716nc + 52126.80c 52126.80c 1 52126 0 125.903318 294 0 xdata/endf71x/Te/52126.710nc + Te-126.80c 52126.80c 1 52126 0 125.903318 294 0 xdata/endf71x/Te/52126.710nc + 52126.81c 52126.81c 1 52126 0 125.903318 600 0 xdata/endf71x/Te/52126.711nc + Te-126.81c 52126.81c 1 52126 0 125.903318 600 0 xdata/endf71x/Te/52126.711nc + 52126.82c 52126.82c 1 52126 0 125.903318 900 0 xdata/endf71x/Te/52126.712nc + Te-126.82c 52126.82c 1 52126 0 125.903318 900 0 xdata/endf71x/Te/52126.712nc + 52126.83c 52126.83c 1 52126 0 125.903318 1200 0 xdata/endf71x/Te/52126.713nc + Te-126.83c 52126.83c 1 52126 0 125.903318 1200 0 xdata/endf71x/Te/52126.713nc + 52126.84c 52126.84c 1 52126 0 125.903318 2500 0 xdata/endf71x/Te/52126.714nc + Te-126.84c 52126.84c 1 52126 0 125.903318 2500 0 xdata/endf71x/Te/52126.714nc + 52126.85c 52126.85c 1 52126 0 125.903318 0 0 xdata/endf71x/Te/52126.715nc + Te-126.85c 52126.85c 1 52126 0 125.903318 0 0 xdata/endf71x/Te/52126.715nc + 52126.86c 52126.86c 1 52126 0 125.903318 250 0 xdata/endf71x/Te/52126.716nc + Te-126.86c 52126.86c 1 52126 0 125.903318 250 0 xdata/endf71x/Te/52126.716nc + 52527.80c 52527.80c 1 52127 1 126.905233 294 0 xdata/endf71x/Te/1052127.710nc +Te-127m.80c 52527.80c 1 52127 1 126.905233 294 0 xdata/endf71x/Te/1052127.710nc + 52527.81c 52527.81c 1 52127 1 126.905233 600 0 xdata/endf71x/Te/1052127.711nc +Te-127m.81c 52527.81c 1 52127 1 126.905233 600 0 xdata/endf71x/Te/1052127.711nc + 52527.82c 52527.82c 1 52127 1 126.905233 900 0 xdata/endf71x/Te/1052127.712nc +Te-127m.82c 52527.82c 1 52127 1 126.905233 900 0 xdata/endf71x/Te/1052127.712nc + 52527.83c 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xdata/endf71x/Bk/97245.716nc + Bk-245.86c 97245.86c 1 97245 0 245.066249 250 0 xdata/endf71x/Bk/97245.716nc + 97246.80c 97246.80c 1 97246 0 246.068862 294 0 xdata/endf71x/Bk/97246.710nc + Bk-246.80c 97246.80c 1 97246 0 246.068862 294 0 xdata/endf71x/Bk/97246.710nc + 97246.81c 97246.81c 1 97246 0 246.068862 600 0 xdata/endf71x/Bk/97246.711nc + Bk-246.81c 97246.81c 1 97246 0 246.068862 600 0 xdata/endf71x/Bk/97246.711nc + 97246.82c 97246.82c 1 97246 0 246.068862 900 0 xdata/endf71x/Bk/97246.712nc + Bk-246.82c 97246.82c 1 97246 0 246.068862 900 0 xdata/endf71x/Bk/97246.712nc + 97246.83c 97246.83c 1 97246 0 246.068862 1200 0 xdata/endf71x/Bk/97246.713nc + Bk-246.83c 97246.83c 1 97246 0 246.068862 1200 0 xdata/endf71x/Bk/97246.713nc + 97246.84c 97246.84c 1 97246 0 246.068862 2500 0 xdata/endf71x/Bk/97246.714nc + Bk-246.84c 97246.84c 1 97246 0 246.068862 2500 0 xdata/endf71x/Bk/97246.714nc + 97246.85c 97246.85c 1 97246 0 246.068862 0 0 xdata/endf71x/Bk/97246.715nc + Bk-246.85c 97246.85c 1 97246 0 246.068862 0 0 xdata/endf71x/Bk/97246.715nc + 97246.86c 97246.86c 1 97246 0 246.068862 250 0 xdata/endf71x/Bk/97246.716nc + Bk-246.86c 97246.86c 1 97246 0 246.068862 250 0 xdata/endf71x/Bk/97246.716nc + 97247.80c 97247.80c 1 97247 0 247.070320 294 0 xdata/endf71x/Bk/97247.710nc + Bk-247.80c 97247.80c 1 97247 0 247.070320 294 0 xdata/endf71x/Bk/97247.710nc + 97247.81c 97247.81c 1 97247 0 247.070320 600 0 xdata/endf71x/Bk/97247.711nc + Bk-247.81c 97247.81c 1 97247 0 247.070320 600 0 xdata/endf71x/Bk/97247.711nc + 97247.82c 97247.82c 1 97247 0 247.070320 900 0 xdata/endf71x/Bk/97247.712nc + Bk-247.82c 97247.82c 1 97247 0 247.070320 900 0 xdata/endf71x/Bk/97247.712nc + 97247.83c 97247.83c 1 97247 0 247.070320 1200 0 xdata/endf71x/Bk/97247.713nc + Bk-247.83c 97247.83c 1 97247 0 247.070320 1200 0 xdata/endf71x/Bk/97247.713nc + 97247.84c 97247.84c 1 97247 0 247.070320 2500 0 xdata/endf71x/Bk/97247.714nc + Bk-247.84c 97247.84c 1 97247 0 247.070320 2500 0 xdata/endf71x/Bk/97247.714nc + 97247.85c 97247.85c 1 97247 0 247.070320 0 0 xdata/endf71x/Bk/97247.715nc + Bk-247.85c 97247.85c 1 97247 0 247.070320 0 0 xdata/endf71x/Bk/97247.715nc + 97247.86c 97247.86c 1 97247 0 247.070320 250 0 xdata/endf71x/Bk/97247.716nc + Bk-247.86c 97247.86c 1 97247 0 247.070320 250 0 xdata/endf71x/Bk/97247.716nc + 97248.80c 97248.80c 1 97248 0 248.073079 294 0 xdata/endf71x/Bk/97248.710nc + Bk-248.80c 97248.80c 1 97248 0 248.073079 294 0 xdata/endf71x/Bk/97248.710nc + 97248.81c 97248.81c 1 97248 0 248.073079 600 0 xdata/endf71x/Bk/97248.711nc + Bk-248.81c 97248.81c 1 97248 0 248.073079 600 0 xdata/endf71x/Bk/97248.711nc + 97248.82c 97248.82c 1 97248 0 248.073079 900 0 xdata/endf71x/Bk/97248.712nc + Bk-248.82c 97248.82c 1 97248 0 248.073079 900 0 xdata/endf71x/Bk/97248.712nc + 97248.83c 97248.83c 1 97248 0 248.073079 1200 0 xdata/endf71x/Bk/97248.713nc + Bk-248.83c 97248.83c 1 97248 0 248.073079 1200 0 xdata/endf71x/Bk/97248.713nc + 97248.84c 97248.84c 1 97248 0 248.073079 2500 0 xdata/endf71x/Bk/97248.714nc + Bk-248.84c 97248.84c 1 97248 0 248.073079 2500 0 xdata/endf71x/Bk/97248.714nc + 97248.85c 97248.85c 1 97248 0 248.073079 0 0 xdata/endf71x/Bk/97248.715nc + Bk-248.85c 97248.85c 1 97248 0 248.073079 0 0 xdata/endf71x/Bk/97248.715nc + 97248.86c 97248.86c 1 97248 0 248.073079 250 0 xdata/endf71x/Bk/97248.716nc + Bk-248.86c 97248.86c 1 97248 0 248.073079 250 0 xdata/endf71x/Bk/97248.716nc + 97249.80c 97249.80c 1 97249 0 249.074684 294 0 xdata/endf71x/Bk/97249.710nc + Bk-249.80c 97249.80c 1 97249 0 249.074684 294 0 xdata/endf71x/Bk/97249.710nc + 97249.81c 97249.81c 1 97249 0 249.074684 600 0 xdata/endf71x/Bk/97249.711nc + Bk-249.81c 97249.81c 1 97249 0 249.074684 600 0 xdata/endf71x/Bk/97249.711nc + 97249.82c 97249.82c 1 97249 0 249.074684 900 0 xdata/endf71x/Bk/97249.712nc + Bk-249.82c 97249.82c 1 97249 0 249.074684 900 0 xdata/endf71x/Bk/97249.712nc + 97249.83c 97249.83c 1 97249 0 249.074684 1200 0 xdata/endf71x/Bk/97249.713nc + Bk-249.83c 97249.83c 1 97249 0 249.074684 1200 0 xdata/endf71x/Bk/97249.713nc + 97249.84c 97249.84c 1 97249 0 249.074684 2500 0 xdata/endf71x/Bk/97249.714nc + Bk-249.84c 97249.84c 1 97249 0 249.074684 2500 0 xdata/endf71x/Bk/97249.714nc + 97249.85c 97249.85c 1 97249 0 249.074684 0 0 xdata/endf71x/Bk/97249.715nc + Bk-249.85c 97249.85c 1 97249 0 249.074684 0 0 xdata/endf71x/Bk/97249.715nc + 97249.86c 97249.86c 1 97249 0 249.074684 250 0 xdata/endf71x/Bk/97249.716nc + Bk-249.86c 97249.86c 1 97249 0 249.074684 250 0 xdata/endf71x/Bk/97249.716nc + 97250.80c 97250.80c 1 97250 0 250.078329 294 0 xdata/endf71x/Bk/97250.710nc + Bk-250.80c 97250.80c 1 97250 0 250.078329 294 0 xdata/endf71x/Bk/97250.710nc + 97250.81c 97250.81c 1 97250 0 250.078329 600 0 xdata/endf71x/Bk/97250.711nc + Bk-250.81c 97250.81c 1 97250 0 250.078329 600 0 xdata/endf71x/Bk/97250.711nc + 97250.82c 97250.82c 1 97250 0 250.078329 900 0 xdata/endf71x/Bk/97250.712nc + Bk-250.82c 97250.82c 1 97250 0 250.078329 900 0 xdata/endf71x/Bk/97250.712nc + 97250.83c 97250.83c 1 97250 0 250.078329 1200 0 xdata/endf71x/Bk/97250.713nc + Bk-250.83c 97250.83c 1 97250 0 250.078329 1200 0 xdata/endf71x/Bk/97250.713nc + 97250.84c 97250.84c 1 97250 0 250.078329 2500 0 xdata/endf71x/Bk/97250.714nc + Bk-250.84c 97250.84c 1 97250 0 250.078329 2500 0 xdata/endf71x/Bk/97250.714nc + 97250.85c 97250.85c 1 97250 0 250.078329 0 0 xdata/endf71x/Bk/97250.715nc + Bk-250.85c 97250.85c 1 97250 0 250.078329 0 0 xdata/endf71x/Bk/97250.715nc + 97250.86c 97250.86c 1 97250 0 250.078329 250 0 xdata/endf71x/Bk/97250.716nc + Bk-250.86c 97250.86c 1 97250 0 250.078329 250 0 xdata/endf71x/Bk/97250.716nc + 98246.80c 98246.80c 1 98246 0 246.068818 294 0 xdata/endf71x/Cf/98246.710nc + Cf-246.80c 98246.80c 1 98246 0 246.068818 294 0 xdata/endf71x/Cf/98246.710nc + 98246.81c 98246.81c 1 98246 0 246.068818 600 0 xdata/endf71x/Cf/98246.711nc + Cf-246.81c 98246.81c 1 98246 0 246.068818 600 0 xdata/endf71x/Cf/98246.711nc + 98246.82c 98246.82c 1 98246 0 246.068818 900 0 xdata/endf71x/Cf/98246.712nc + Cf-246.82c 98246.82c 1 98246 0 246.068818 900 0 xdata/endf71x/Cf/98246.712nc + 98246.83c 98246.83c 1 98246 0 246.068818 1200 0 xdata/endf71x/Cf/98246.713nc + Cf-246.83c 98246.83c 1 98246 0 246.068818 1200 0 xdata/endf71x/Cf/98246.713nc + 98246.84c 98246.84c 1 98246 0 246.068818 2500 0 xdata/endf71x/Cf/98246.714nc + Cf-246.84c 98246.84c 1 98246 0 246.068818 2500 0 xdata/endf71x/Cf/98246.714nc + 98246.85c 98246.85c 1 98246 0 246.068818 0 0 xdata/endf71x/Cf/98246.715nc + Cf-246.85c 98246.85c 1 98246 0 246.068818 0 0 xdata/endf71x/Cf/98246.715nc + 98246.86c 98246.86c 1 98246 0 246.068818 250 0 xdata/endf71x/Cf/98246.716nc + Cf-246.86c 98246.86c 1 98246 0 246.068818 250 0 xdata/endf71x/Cf/98246.716nc + 98248.80c 98248.80c 1 98248 0 248.072071 294 0 xdata/endf71x/Cf/98248.710nc + Cf-248.80c 98248.80c 1 98248 0 248.072071 294 0 xdata/endf71x/Cf/98248.710nc + 98248.81c 98248.81c 1 98248 0 248.072071 600 0 xdata/endf71x/Cf/98248.711nc + Cf-248.81c 98248.81c 1 98248 0 248.072071 600 0 xdata/endf71x/Cf/98248.711nc + 98248.82c 98248.82c 1 98248 0 248.072071 900 0 xdata/endf71x/Cf/98248.712nc + Cf-248.82c 98248.82c 1 98248 0 248.072071 900 0 xdata/endf71x/Cf/98248.712nc + 98248.83c 98248.83c 1 98248 0 248.072071 1200 0 xdata/endf71x/Cf/98248.713nc + Cf-248.83c 98248.83c 1 98248 0 248.072071 1200 0 xdata/endf71x/Cf/98248.713nc + 98248.84c 98248.84c 1 98248 0 248.072071 2500 0 xdata/endf71x/Cf/98248.714nc + Cf-248.84c 98248.84c 1 98248 0 248.072071 2500 0 xdata/endf71x/Cf/98248.714nc + 98248.85c 98248.85c 1 98248 0 248.072071 0 0 xdata/endf71x/Cf/98248.715nc + Cf-248.85c 98248.85c 1 98248 0 248.072071 0 0 xdata/endf71x/Cf/98248.715nc + 98248.86c 98248.86c 1 98248 0 248.072071 250 0 xdata/endf71x/Cf/98248.716nc + Cf-248.86c 98248.86c 1 98248 0 248.072071 250 0 xdata/endf71x/Cf/98248.716nc + 98249.80c 98249.80c 1 98249 0 249.074866 294 0 xdata/endf71x/Cf/98249.710nc + Cf-249.80c 98249.80c 1 98249 0 249.074866 294 0 xdata/endf71x/Cf/98249.710nc + 98249.81c 98249.81c 1 98249 0 249.074866 600 0 xdata/endf71x/Cf/98249.711nc + Cf-249.81c 98249.81c 1 98249 0 249.074866 600 0 xdata/endf71x/Cf/98249.711nc + 98249.82c 98249.82c 1 98249 0 249.074866 900 0 xdata/endf71x/Cf/98249.712nc + Cf-249.82c 98249.82c 1 98249 0 249.074866 900 0 xdata/endf71x/Cf/98249.712nc + 98249.83c 98249.83c 1 98249 0 249.074866 1200 0 xdata/endf71x/Cf/98249.713nc + Cf-249.83c 98249.83c 1 98249 0 249.074866 1200 0 xdata/endf71x/Cf/98249.713nc + 98249.84c 98249.84c 1 98249 0 249.074866 2500 0 xdata/endf71x/Cf/98249.714nc + Cf-249.84c 98249.84c 1 98249 0 249.074866 2500 0 xdata/endf71x/Cf/98249.714nc + 98249.85c 98249.85c 1 98249 0 249.074866 0 0 xdata/endf71x/Cf/98249.715nc + Cf-249.85c 98249.85c 1 98249 0 249.074866 0 0 xdata/endf71x/Cf/98249.715nc + 98249.86c 98249.86c 1 98249 0 249.074866 250 0 xdata/endf71x/Cf/98249.716nc + Cf-249.86c 98249.86c 1 98249 0 249.074866 250 0 xdata/endf71x/Cf/98249.716nc + 98250.80c 98250.80c 1 98250 0 250.076288 294 0 xdata/endf71x/Cf/98250.710nc + Cf-250.80c 98250.80c 1 98250 0 250.076288 294 0 xdata/endf71x/Cf/98250.710nc + 98250.81c 98250.81c 1 98250 0 250.076288 600 0 xdata/endf71x/Cf/98250.711nc + Cf-250.81c 98250.81c 1 98250 0 250.076288 600 0 xdata/endf71x/Cf/98250.711nc + 98250.82c 98250.82c 1 98250 0 250.076288 900 0 xdata/endf71x/Cf/98250.712nc + Cf-250.82c 98250.82c 1 98250 0 250.076288 900 0 xdata/endf71x/Cf/98250.712nc + 98250.83c 98250.83c 1 98250 0 250.076288 1200 0 xdata/endf71x/Cf/98250.713nc + Cf-250.83c 98250.83c 1 98250 0 250.076288 1200 0 xdata/endf71x/Cf/98250.713nc + 98250.84c 98250.84c 1 98250 0 250.076288 2500 0 xdata/endf71x/Cf/98250.714nc + Cf-250.84c 98250.84c 1 98250 0 250.076288 2500 0 xdata/endf71x/Cf/98250.714nc + 98250.85c 98250.85c 1 98250 0 250.076288 0 0 xdata/endf71x/Cf/98250.715nc + Cf-250.85c 98250.85c 1 98250 0 250.076288 0 0 xdata/endf71x/Cf/98250.715nc + 98250.86c 98250.86c 1 98250 0 250.076288 250 0 xdata/endf71x/Cf/98250.716nc + Cf-250.86c 98250.86c 1 98250 0 250.076288 250 0 xdata/endf71x/Cf/98250.716nc + 98251.80c 98251.80c 1 98251 0 251.079910 294 0 xdata/endf71x/Cf/98251.710nc + Cf-251.80c 98251.80c 1 98251 0 251.079910 294 0 xdata/endf71x/Cf/98251.710nc + 98251.81c 98251.81c 1 98251 0 251.079910 600 0 xdata/endf71x/Cf/98251.711nc + Cf-251.81c 98251.81c 1 98251 0 251.079910 600 0 xdata/endf71x/Cf/98251.711nc + 98251.82c 98251.82c 1 98251 0 251.079910 900 0 xdata/endf71x/Cf/98251.712nc + Cf-251.82c 98251.82c 1 98251 0 251.079910 900 0 xdata/endf71x/Cf/98251.712nc + 98251.83c 98251.83c 1 98251 0 251.079910 1200 0 xdata/endf71x/Cf/98251.713nc + Cf-251.83c 98251.83c 1 98251 0 251.079910 1200 0 xdata/endf71x/Cf/98251.713nc + 98251.84c 98251.84c 1 98251 0 251.079910 2500 0 xdata/endf71x/Cf/98251.714nc + Cf-251.84c 98251.84c 1 98251 0 251.079910 2500 0 xdata/endf71x/Cf/98251.714nc + 98251.85c 98251.85c 1 98251 0 251.079910 0 0 xdata/endf71x/Cf/98251.715nc + Cf-251.85c 98251.85c 1 98251 0 251.079910 0 0 xdata/endf71x/Cf/98251.715nc + 98251.86c 98251.86c 1 98251 0 251.079910 250 0 xdata/endf71x/Cf/98251.716nc + Cf-251.86c 98251.86c 1 98251 0 251.079910 250 0 xdata/endf71x/Cf/98251.716nc + 98252.80c 98252.80c 1 98252 0 252.081639 294 0 xdata/endf71x/Cf/98252.710nc + Cf-252.80c 98252.80c 1 98252 0 252.081639 294 0 xdata/endf71x/Cf/98252.710nc + 98252.81c 98252.81c 1 98252 0 252.081639 600 0 xdata/endf71x/Cf/98252.711nc + Cf-252.81c 98252.81c 1 98252 0 252.081639 600 0 xdata/endf71x/Cf/98252.711nc + 98252.82c 98252.82c 1 98252 0 252.081639 900 0 xdata/endf71x/Cf/98252.712nc + Cf-252.82c 98252.82c 1 98252 0 252.081639 900 0 xdata/endf71x/Cf/98252.712nc + 98252.83c 98252.83c 1 98252 0 252.081639 1200 0 xdata/endf71x/Cf/98252.713nc + Cf-252.83c 98252.83c 1 98252 0 252.081639 1200 0 xdata/endf71x/Cf/98252.713nc + 98252.84c 98252.84c 1 98252 0 252.081639 2500 0 xdata/endf71x/Cf/98252.714nc + Cf-252.84c 98252.84c 1 98252 0 252.081639 2500 0 xdata/endf71x/Cf/98252.714nc + 98252.85c 98252.85c 1 98252 0 252.081639 0 0 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Si-28.34y 14028.34y 2 14028 0 27.976928 294 0 IRDFF-II/dos-irdff2-1425.acef + 14029.34y 14029.34y 2 14029 0 28.976524 294 0 IRDFF-II/dos-irdff2-1428.acef + Si-29.34y 14029.34y 2 14029 0 28.976524 294 0 IRDFF-II/dos-irdff2-1428.acef + 15031.34y 15031.34y 2 15031 0 30.973781 294 0 IRDFF-II/dos-irdff2-1525.acef + P-31.34y 15031.34y 2 15031 0 30.973781 294 0 IRDFF-II/dos-irdff2-1525.acef + 16000.34y 16000.34y 2 16000 0 32.064390 294 0 IRDFF-II/dos-irdff2-1600.acef + S-nat.34y 16000.34y 2 16000 0 32.064390 294 0 IRDFF-II/dos-irdff2-1600.acef + 16032.34y 16032.34y 2 16032 0 31.972073 294 0 IRDFF-II/dos-irdff2-1625.acef + S-32.34y 16032.34y 2 16032 0 31.972073 294 0 IRDFF-II/dos-irdff2-1625.acef + 21045.34y 21045.34y 2 21045 0 44.955914 294 0 IRDFF-II/dos-irdff2-2125.acef + Sc-45.34y 21045.34y 2 21045 0 44.955914 294 0 IRDFF-II/dos-irdff2-2125.acef + 22000.34y 22000.34y 2 22000 0 47.878428 294 0 IRDFF-II/dos-irdff2-2200.acef + Ti-nat.34y 22000.34y 2 22000 0 47.878428 294 0 IRDFF-II/dos-irdff2-2200.acef + 22046.34y 22046.34y 2 22046 0 45.952658 294 0 IRDFF-II/dos-irdff2-2225.acef + Ti-46.34y 22046.34y 2 22046 0 45.952658 294 0 IRDFF-II/dos-irdff2-2225.acef + 22047.34y 22047.34y 2 22047 0 46.951765 294 0 IRDFF-II/dos-irdff2-2228.acef + Ti-47.34y 22047.34y 2 22047 0 46.951765 294 0 IRDFF-II/dos-irdff2-2228.acef + 22048.34y 22048.34y 2 22048 0 47.947898 294 0 IRDFF-II/dos-irdff2-2231.acef + Ti-48.34y 22048.34y 2 22048 0 47.947898 294 0 IRDFF-II/dos-irdff2-2231.acef + 23051.34y 23051.34y 2 23051 0 50.943935 294 0 IRDFF-II/dos-irdff2-2328.acef + V-51.34y 23051.34y 2 23051 0 50.943935 294 0 IRDFF-II/dos-irdff2-2328.acef + 24000.34y 24000.34y 2 24000 0 51.996140 294 0 IRDFF-II/dos-irdff2-2400.acef + Cr-nat.34y 24000.34y 2 24000 0 51.996140 294 0 IRDFF-II/dos-irdff2-2400.acef + 25055.34y 25055.34y 2 25055 0 54.938047 294 0 IRDFF-II/dos-irdff2-2525.acef + Mn-55.34y 25055.34y 2 25055 0 54.938047 294 0 IRDFF-II/dos-irdff2-2525.acef + 26000.34y 26000.34y 2 26000 0 55.846821 294 0 IRDFF-II/dos-irdff2-2600.acef + Fe-nat.34y 26000.34y 2 26000 0 55.846821 294 0 IRDFF-II/dos-irdff2-2600.acef + 26054.34y 26054.34y 2 26054 0 53.939613 294 0 IRDFF-II/dos-irdff2-2625.acef + Fe-54.34y 26054.34y 2 26054 0 53.939613 294 0 IRDFF-II/dos-irdff2-2625.acef + 26056.34y 26056.34y 2 26056 0 55.934911 294 0 IRDFF-II/dos-irdff2-2631.acef + Fe-56.34y 26056.34y 2 26056 0 55.934911 294 0 IRDFF-II/dos-irdff2-2631.acef + 26058.34y 26058.34y 2 26058 0 57.933288 294 0 IRDFF-II/dos-irdff2-2637.acef + Fe-58.34y 26058.34y 2 26058 0 57.933288 294 0 IRDFF-II/dos-irdff2-2637.acef + 27059.34y 27059.34y 2 27059 0 58.933198 294 0 IRDFF-II/dos-irdff2-2725.acef + Co-59.34y 27059.34y 2 27059 0 58.933198 294 0 IRDFF-II/dos-irdff2-2725.acef + 28000.34y 28000.34y 2 28000 0 58.693364 294 0 IRDFF-II/dos-irdff2-2800.acef + Ni-nat.34y 28000.34y 2 28000 0 58.693364 294 0 IRDFF-II/dos-irdff2-2800.acef + 28058.34y 28058.34y 2 28058 0 57.935396 294 0 IRDFF-II/dos-irdff2-2825.acef + Ni-58.34y 28058.34y 2 28058 0 57.935396 294 0 IRDFF-II/dos-irdff2-2825.acef + 28060.34y 28060.34y 2 28060 0 59.930789 294 0 IRDFF-II/dos-irdff2-2831.acef + Ni-60.34y 28060.34y 2 28060 0 59.930789 294 0 IRDFF-II/dos-irdff2-2831.acef + 29000.34y 29000.34y 2 29000 0 63.545647 294 0 IRDFF-II/dos-irdff2-2900.acef + Cu-nat.34y 29000.34y 2 29000 0 63.545647 294 0 IRDFF-II/dos-irdff2-2900.acef + 29063.34y 29063.34y 2 29063 0 62.930002 294 0 IRDFF-II/dos-irdff2-2925.acef + Cu-63.34y 29063.34y 2 29063 0 62.930002 294 0 IRDFF-II/dos-irdff2-2925.acef + 29065.34y 29065.34y 2 29065 0 64.927764 294 0 IRDFF-II/dos-irdff2-2931.acef + Cu-65.34y 29065.34y 2 29065 0 64.927764 294 0 IRDFF-II/dos-irdff2-2931.acef + 30000.34y 30000.34y 2 30000 0 65.396368 294 0 IRDFF-II/dos-irdff2-3000.acef + Zn-nat.34y 30000.34y 2 30000 0 65.396368 294 0 IRDFF-II/dos-irdff2-3000.acef + 30064.34y 30064.34y 2 30064 0 63.929186 294 0 IRDFF-II/dos-irdff2-3025.acef + Zn-64.34y 30064.34y 2 30064 0 63.929186 294 0 IRDFF-II/dos-irdff2-3025.acef + 30067.34y 30067.34y 2 30067 0 66.927140 294 0 IRDFF-II/dos-irdff2-3034.acef + Zn-67.34y 30067.34y 2 30067 0 66.927140 294 0 IRDFF-II/dos-irdff2-3034.acef + 30068.34y 30068.34y 2 30068 0 67.924850 294 0 IRDFF-II/dos-irdff2-3037.acef + Zn-68.34y 30068.34y 2 30068 0 67.924850 294 0 IRDFF-II/dos-irdff2-3037.acef + 33075.34y 33075.34y 2 33075 0 74.921600 294 0 IRDFF-II/dos-irdff2-3325.acef + As-75.34y 33075.34y 2 33075 0 74.921600 294 0 IRDFF-II/dos-irdff2-3325.acef + 39089.34y 39089.34y 2 39089 0 88.905848 294 0 IRDFF-II/dos-irdff2-3925.acef + Y-89.34y 39089.34y 2 39089 0 88.905848 294 0 IRDFF-II/dos-irdff2-3925.acef + 40000.34y 40000.34y 2 40000 0 91.223651 294 0 IRDFF-II/dos-irdff2-4000.acef + Zr-nat.34y 40000.34y 2 40000 0 91.223651 294 0 IRDFF-II/dos-irdff2-4000.acef + 40090.34y 40090.34y 2 40090 0 89.904709 294 0 IRDFF-II/dos-irdff2-4025.acef + Zr-90.34y 40090.34y 2 40090 0 89.904709 294 0 IRDFF-II/dos-irdff2-4025.acef + 41093.34y 41093.34y 2 41093 0 92.906383 294 0 IRDFF-II/dos-irdff2-4125.acef + Nb-93.34y 41093.34y 2 41093 0 92.906383 294 0 IRDFF-II/dos-irdff2-4125.acef + 42000.34y 42000.34y 2 42000 0 95.931296 294 0 IRDFF-II/dos-irdff2-4200.acef + Mo-nat.34y 42000.34y 2 42000 0 95.931296 294 0 IRDFF-II/dos-irdff2-4200.acef + 42092.34y 42092.34y 2 42092 0 91.906816 294 0 IRDFF-II/dos-irdff2-4225.acef + Mo-92.34y 42092.34y 2 42092 0 91.906816 294 0 IRDFF-II/dos-irdff2-4225.acef + 45103.34y 45103.34y 2 45103 0 102.905009 294 0 IRDFF-II/dos-irdff2-4525.acef + Rh-103.34y 45103.34y 2 45103 0 102.905009 294 0 IRDFF-II/dos-irdff2-4525.acef + 47109.34y 47109.34y 2 47109 0 108.904548 294 0 IRDFF-II/dos-irdff2-4731.acef + Ag-109.34y 47109.34y 2 47109 0 108.904548 294 0 IRDFF-II/dos-irdff2-4731.acef + 48000.34y 48000.34y 2 48000 0 112.411558 294 0 IRDFF-II/dos-irdff2-4800.acef + Cd-nat.34y 48000.34y 2 48000 0 112.411558 294 0 IRDFF-II/dos-irdff2-4800.acef + 49000.34y 49000.34y 2 49000 0 114.817892 294 0 IRDFF-II/dos-irdff2-4900.acef + In-nat.34y 49000.34y 2 49000 0 114.817892 294 0 IRDFF-II/dos-irdff2-4900.acef + 49113.34y 49113.34y 2 49113 0 112.903904 294 0 IRDFF-II/dos-irdff2-4925.acef + In-113.34y 49113.34y 2 49113 0 112.903904 294 0 IRDFF-II/dos-irdff2-4925.acef + 49115.34y 49115.34y 2 49115 0 114.903884 294 0 IRDFF-II/dos-irdff2-4931.acef + In-115.34y 49115.34y 2 49115 0 114.903884 294 0 IRDFF-II/dos-irdff2-4931.acef + 53127.34y 53127.34y 2 53127 0 126.904174 294 0 IRDFF-II/dos-irdff2-5325.acef + I-127.34y 53127.34y 2 53127 0 126.904174 294 0 IRDFF-II/dos-irdff2-5325.acef + 57139.34y 57139.34y 2 57139 0 138.906279 294 0 IRDFF-II/dos-irdff2-5728.acef + La-139.34y 57139.34y 2 57139 0 138.906279 294 0 IRDFF-II/dos-irdff2-5728.acef + 59141.34y 59141.34y 2 59141 0 140.907470 294 0 IRDFF-II/dos-irdff2-5925.acef + Pr-141.34y 59141.34y 2 59141 0 140.907470 294 0 IRDFF-II/dos-irdff2-5925.acef + 64000.34y 64000.34y 2 64000 0 157.252126 294 0 IRDFF-II/dos-irdff2-6400.acef + Gd-nat.34y 64000.34y 2 64000 0 157.252126 294 0 IRDFF-II/dos-irdff2-6400.acef + 69169.34y 69169.34y 2 69169 0 168.934222 294 0 IRDFF-II/dos-irdff2-6925.acef + Tm-169.34y 69169.34y 2 69169 0 168.934222 294 0 IRDFF-II/dos-irdff2-6925.acef + 73181.34y 73181.34y 2 73181 0 180.947434 294 0 IRDFF-II/dos-irdff2-7328.acef + Ta-181.34y 73181.34y 2 73181 0 180.947434 294 0 IRDFF-II/dos-irdff2-7328.acef + 74186.34y 74186.34y 2 74186 0 185.954447 294 0 IRDFF-II/dos-irdff2-7443.acef + W-186.34y 74186.34y 2 74186 0 185.954447 294 0 IRDFF-II/dos-irdff2-7443.acef + 79197.34y 79197.34y 2 79197 0 196.966043 294 0 IRDFF-II/dos-irdff2-7925.acef + Au-197.34y 79197.34y 2 79197 0 196.966043 294 0 IRDFF-II/dos-irdff2-7925.acef + 80199.34y 80199.34y 2 80199 0 198.968243 294 0 IRDFF-II/dos-irdff2-8034.acef + Hg-199.34y 80199.34y 2 80199 0 198.968243 294 0 IRDFF-II/dos-irdff2-8034.acef + 82204.34y 82204.34y 2 82204 0 203.972230 294 0 IRDFF-II/dos-irdff2-8225.acef + Pb-204.34y 82204.34y 2 82204 0 203.972230 294 0 IRDFF-II/dos-irdff2-8225.acef + 83209.34y 83209.34y 2 83209 0 208.980453 294 0 IRDFF-II/dos-irdff2-8325.acef + Bi-209.34y 83209.34y 2 83209 0 208.980453 294 0 IRDFF-II/dos-irdff2-8325.acef + 90232.34y 90232.34y 2 90232 0 232.038332 294 0 IRDFF-II/dos-irdff2-9040.acef + Th-232.34y 90232.34y 2 90232 0 232.038332 294 0 IRDFF-II/dos-irdff2-9040.acef + 92235.34y 92235.34y 2 92235 0 235.043942 294 0 IRDFF-II/dos-irdff2-9228.acef + U-235.34y 92235.34y 2 92235 0 235.043942 294 0 IRDFF-II/dos-irdff2-9228.acef + 92238.34y 92238.34y 2 92238 0 238.050800 294 0 IRDFF-II/dos-irdff2-9237.acef + U-238.34y 92238.34y 2 92238 0 238.050800 294 0 IRDFF-II/dos-irdff2-9237.acef + 93237.34y 93237.34y 2 93237 0 237.048185 294 0 IRDFF-II/dos-irdff2-9346.acef + Np-237.34y 93237.34y 2 93237 0 237.048185 294 0 IRDFF-II/dos-irdff2-9346.acef + 94239.34y 94239.34y 2 94239 0 239.052185 294 0 IRDFF-II/dos-irdff2-9437.acef + Pu-239.34y 94239.34y 2 94239 0 239.052185 294 0 IRDFF-II/dos-irdff2-9437.acef + 95241.34y 95241.34y 2 95241 0 241.056806 294 0 IRDFF-II/dos-irdff2-9543.acef + Am-241.34y 95241.34y 2 95241 0 241.056806 294 0 IRDFF-II/dos-irdff2-9543.acef diff --git a/tests/TestFiles/testrun/SphereTest/Sphere/openmc/geometry.xml b/tests/TestFiles/testrun/SphereTest/Sphere/openmc/geometry.xml new file mode 100644 index 00000000..3be058d0 --- /dev/null +++ b/tests/TestFiles/testrun/SphereTest/Sphere/openmc/geometry.xml @@ -0,0 +1,8 @@ + + + + + + + + diff --git a/tests/TestFiles/testrun/SphereTest/Sphere/openmc/settings.xml b/tests/TestFiles/testrun/SphereTest/Sphere/openmc/settings.xml new file mode 100644 index 00000000..687cb82e --- /dev/null +++ b/tests/TestFiles/testrun/SphereTest/Sphere/openmc/settings.xml @@ -0,0 +1,13 @@ + + + fixed source + + + 0 0 0 + + + 1.0 100000.0 1000000.0 10000000.0 14000000.0 0.0 1.0 1.0 1.0 1.0 + + + true + diff --git a/tests/TestFiles/testrun/SphereTest/Sphere/openmc/tallies.xml b/tests/TestFiles/testrun/SphereTest/Sphere/openmc/tallies.xml new file mode 100644 index 00000000..5d283489 --- /dev/null +++ b/tests/TestFiles/testrun/SphereTest/Sphere/openmc/tallies.xml @@ -0,0 +1,27 @@ + + + + 2 + + + neutron + + + photon + + + 1e-05 0.1 0.41399 0.53158 0.68256 0.87643 1.1253 1.445 1.8554 2.3824 3.059 3.9279 5.0435 6.4759 8.3153 10.677 13.71 17.604 22.603 29.023 37.266 47.851 61.442 78.893 101.3 130.07 167.02 214.45 275.36 353.58 454.0 582.95 748.52 961.12 1234.1 1584.6 2034.7 2248.7 2485.2 2612.6 2746.5 3035.4 3354.6 3707.4 4307.4 5530.8 7101.7 9118.8 10595.0 11709.0 15034.0 19304.0 21875.0 23579.0 24176.0 24788.0 26058.0 27000.0 28501.0 31828.0 34307.0 40868.0 46309.0 52475.0 56562.0 67380.0 72024.0 79499.0 82503.0 86517.0 98036.0 111090.0 116790.0 122770.0 129070.0 135690.0 142640.0 149960.0 157640.0 165730.0 174220.0 183160.0 192550.0 202420.0 212800.0 223710.0 235180.0 247240.0 273240.0 287250.0 294520.0 297210.0 298490.0 301970.0 333730.0 368830.0 387740.0 407620.0 450490.0 497870.0 523400.0 550230.0 578440.0 608100.0 639280.0 672060.0 706510.0 742740.0 780820.0 820850.0 862940.0 907180.0 961670.0 1002600.0 1108000.0 1164800.0 1224600.0 1287400.0 1353400.0 1422700.0 1495700.0 1572400.0 1653000.0 1737700.0 1826800.0 1920500.0 2019000.0 2122500.0 2231300.0 2306900.0 2345700.0 2365300.0 2385100.0 2466000.0 2592400.0 2725300.0 2865000.0 3011900.0 3166400.0 3328700.0 3678800.0 4065700.0 4493300.0 4723700.0 4965800.0 5220500.0 5488100.0 5769500.0 6065300.0 6376300.0 6592400.0 6703200.0 7046900.0 7408200.0 7788000.0 8187300.0 8607100.0 9048400.0 9512300.0 10000000.0 10513000.0 11052000.0 11618000.0 12214000.0 12523000.0 12840000.0 13499000.0 13840000.0 14191000.0 14550000.0 14918000.0 15683000.0 16487000.0 16905000.0 17332000.0 19640000.0 + + + 1e-05 10000 20000 50000 100000 200000 300000 400000 600000 800000 1000000 1220000 1440000 1660000 2000000 2500000 3000000 4000000 5000000 6500000 8000000 10000000 12000000 14000000 20000000 + + + + 1 2 5 + flux + + + 1 3 6 + flux + + \ No newline at end of file diff --git a/tests/TestFiles/testrun/SphereTest/Sphere/serpent/Sphere.i b/tests/TestFiles/testrun/SphereTest/Sphere/serpent/Sphere.i new file mode 100644 index 00000000..531ad8b2 --- /dev/null +++ b/tests/TestFiles/testrun/SphereTest/Sphere/serpent/Sphere.i @@ -0,0 +1,39 @@ +% --- surface definitions --- % +surf 1 sph 0.0 0.0 0.0 5.0 +surf 2 sph 0.0 0.0 0.0 50.0 +surf 3 sph 0.0 0.0 0.0 60.0 +% --- cell definitions --- % +cell 1 0 void ( -1 ) +cell 2 0 1 ( 1 -2 ) +cell 3 0 outside 2 + +% --- Tally definitions --- % +det 4 n dc 2 dv 1 de vitJ + +det 14 p dc 2 dv 1 de 24_group + +ene vitJ 4 nj17 +ene 24_group 1 1e-11 0.01 0.02 0.05 0.10 0.20 0.30 0.40 0.60 0.80 1.00 1.22 1.44 1.66 2.00 2.50 +3.00 4.00 5.00 6.50 8.00 10.00 12.00 14.00 20.00 + +% --- Source definition --- % +/* Note that Serpent reads probability over each histogram while MCNP calculates +the integral i.e. probability*bin_width. Note that there is a bug in Serpent +v2.1.32 for sampling 1D tabular source definitions (https://ttuki.vtt.fi/A33Mpg0ryEvxnGVE572g/viewtopic.php?f=25&t=3682&start=40#p13388)*/ +src point n sp 0 0 0 +sb 5 1 +1e-6 0 +0.1 10 +1 1.111 +10 0.111 +14 0.25 + +% --- Data cards -- % + +set gcu -1 +set bala 1 +set ngamma 2 +set bc 1 +set nbuf 1000 +set gbuf 10000 +set srcrate 1 diff --git a/tests/testrun_test.py b/tests/testrun_test.py index 849cf944..83374410 100644 --- a/tests/testrun_test.py +++ b/tests/testrun_test.py @@ -39,6 +39,8 @@ ACTIVATION_FILE = os.path.join(cp, "TestFiles", "libmanager", "Activation libs.xlsx") XSDIR_FILE = os.path.join(cp, "TestFiles", "libmanager", "xsdir") ISOTOPES_FILE = os.path.join(root, "jade", "resources", "Isotopes.txt") +XSDIR31c_OPENMC = os.path.join(cp, "TestFiles", "libmanager", "31c.xml") +XSDIR31c_SERPENT = os.path.join(cp, "TestFiles", "libmanager", "xsdir.serp") # Useful files FILES = os.path.join(cp, "TestFiles", "testrun") @@ -52,16 +54,16 @@ def LOGFILE(tmpdir): @pytest.fixture def LM(): df_rows = [ - ["99c", "sda", "", XSDIR_FILE, XSDIR_FILE], - ["98c", "acsdc", "", XSDIR_FILE, XSDIR_FILE], - ["21c", "adsadsa", "", XSDIR_FILE, None], - ["31c", "adsadas", "", XSDIR_FILE, None], - ["00c", "sdas", "", XSDIR_FILE, None], - ["71c", "sdasxcx", "", XSDIR_FILE, None], - ["81c", "sdasxcx", "yes", XSDIR_FILE, None], + ["99c", "sda", "", XSDIR_FILE, XSDIR_FILE, None, None], + ["98c", "acsdc", "", XSDIR_FILE, XSDIR_FILE, None, None], + ["21c", "adsadsa", "", XSDIR_FILE, None, None, None], + ["31c", "adsadas", "", XSDIR_FILE, None, XSDIR31c_OPENMC, XSDIR31c_SERPENT], + ["00c", "sdas", "", XSDIR_FILE, None, None, None], + ["71c", "sdasxcx", "", XSDIR_FILE, None, None, None], + ["81c", "sdasxcx", "yes", XSDIR_FILE, None, None, None], ] df_lib = pd.DataFrame(df_rows) - df_lib.columns = ["Suffix", "Name", "Default", "MCNP", "d1S"] + df_lib.columns = ["Suffix", "Name", "Default", "MCNP", "d1S", "OpenMC", "Serpent"] return LibManager( df_lib, activationfile=ACTIVATION_FILE, isotopes_file=ISOTOPES_FILE @@ -137,7 +139,7 @@ class TestSphereTest: files = os.path.join(FILES, "SphereTest") dummyout = os.path.join(FILES, "dummy") - def test_build(self, LM: LibManager, LOGFILE: Log): + def test_build(self, LM: LibManager, LOGFILE: Log, tmpdir): # Just check that nothing breaks lib = "31c" inp_name = "Sphere" @@ -152,17 +154,16 @@ def test_build(self, LM: LibManager, LOGFILE: Log): "Relative Error cut-off": None, "Custom Input": 3, "MCNP": True, + "OpenMC": True, + "Serpent": True, } config = pd.Series(config_data) conf_path = os.path.join(self.files, "Spherecnf") # Build the test test = SphereTest(inp, lib, config, LOGFILE, conf_path, runoption="c") - try: - os.mkdir(self.dummyout) - test.generate_test(self.dummyout, LM) - finally: - rmtree(self.dummyout) + test.generate_test(tmpdir, LM) + assert True From 99634d16f44e77c14881c69d7ab2be6a6490cf4b Mon Sep 17 00:00:00 2001 From: sbradnam Date: Tue, 20 Feb 2024 11:08:32 +0000 Subject: [PATCH 11/18] Fixed check_test_test_run --- tests/status_test.py | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/tests/status_test.py b/tests/status_test.py index 0e1305f5..48df73d3 100644 --- a/tests/status_test.py +++ b/tests/status_test.py @@ -164,8 +164,8 @@ def test_check_override_run(self, monkeypatch, def_config: Configuration): @pytest.mark.parametrize( ["code", "directory", "expected"], [ - ["mcnp", r"00c\Sphere\Sphere_1001_H-1\mcnp", True], - ["mcnp", r"00c\Sphere\Sphere_1002_H-2\mcnp", False], + ["mcnp", os.path.join("00c", "Sphere", "Sphere_1001_H-1", "mcnp"), True], + ["mcnp", os.path.join("00c", "Sphere", "Sphere_1002_H-2", "mcnp"), False], ], ) def test_check_test_run( From b4a7739b6016346ee38d4c06f88298475cd5b9e4 Mon Sep 17 00:00:00 2001 From: alexvalentine94 Date: Tue, 20 Feb 2024 11:21:44 +0000 Subject: [PATCH 12/18] config doc string and testrun sddr path --- jade/configuration.py | 8 ++++---- .../SphereTestSDDR/SphereSDDR/{d1S => d1s}/SphereSDDR.i | 0 2 files changed, 4 insertions(+), 4 deletions(-) rename tests/TestFiles/testrun/SphereTestSDDR/SphereSDDR/{d1S => d1s}/SphereSDDR.i (100%) diff --git a/jade/configuration.py b/jade/configuration.py index 2c57a9c7..f080db5f 100644 --- a/jade/configuration.py +++ b/jade/configuration.py @@ -129,17 +129,17 @@ def read_settings(self) -> None: # self.default_lib = lib[lib['Default'] == 'yes']['Suffix'].values[0] def run_option(self, exp=False) -> str: - """Allow user to specify whether to run in parallel or command line + """Present option of running in command line or submit as a job. Parameters ---------- - self : self - self + exp : bool, optional + Whether an experimental benchmark, by default False Returns ------- str - command line or submitted as a job. + c or s user selected option. """ if exp: config = self.exp_default.set_index("Description") diff --git a/tests/TestFiles/testrun/SphereTestSDDR/SphereSDDR/d1S/SphereSDDR.i b/tests/TestFiles/testrun/SphereTestSDDR/SphereSDDR/d1s/SphereSDDR.i similarity index 100% rename from tests/TestFiles/testrun/SphereTestSDDR/SphereSDDR/d1S/SphereSDDR.i rename to tests/TestFiles/testrun/SphereTestSDDR/SphereSDDR/d1s/SphereSDDR.i From dacd0ced3041fdf7b49913b183b16d441b2c2e6e Mon Sep 17 00:00:00 2001 From: alexvalentine94 Date: Tue, 20 Feb 2024 11:56:19 +0000 Subject: [PATCH 13/18] testrun expanded for openmc and serpent --- .../Oktavian/Oktavian_Al/openmc/settings.xml | 13 + .../Oktavian/Oktavian_Co/openmc/settings.xml | 13 + .../testrun/Test/ITER_1D/openmc/geometry.xml | 215 ++++++ .../testrun/Test/ITER_1D/openmc/materials.xml | 450 ++++++++++++ .../testrun/Test/ITER_1D/openmc/settings.xml | 13 + .../testrun/Test/ITER_1D/serpent/ITER_1D.i | 643 ++++++++++++++++++ tests/testrun_test.py | 23 +- 7 files changed, 1357 insertions(+), 13 deletions(-) create mode 100644 tests/TestFiles/testrun/MultipleTest/Oktavian/Oktavian_Al/openmc/settings.xml create mode 100644 tests/TestFiles/testrun/MultipleTest/Oktavian/Oktavian_Co/openmc/settings.xml create mode 100644 tests/TestFiles/testrun/Test/ITER_1D/openmc/geometry.xml create mode 100644 tests/TestFiles/testrun/Test/ITER_1D/openmc/materials.xml create mode 100644 tests/TestFiles/testrun/Test/ITER_1D/openmc/settings.xml create mode 100644 tests/TestFiles/testrun/Test/ITER_1D/serpent/ITER_1D.i diff --git a/tests/TestFiles/testrun/MultipleTest/Oktavian/Oktavian_Al/openmc/settings.xml b/tests/TestFiles/testrun/MultipleTest/Oktavian/Oktavian_Al/openmc/settings.xml new file mode 100644 index 00000000..687cb82e --- /dev/null +++ b/tests/TestFiles/testrun/MultipleTest/Oktavian/Oktavian_Al/openmc/settings.xml @@ -0,0 +1,13 @@ + + + fixed source + + + 0 0 0 + + + 1.0 100000.0 1000000.0 10000000.0 14000000.0 0.0 1.0 1.0 1.0 1.0 + + + true + diff --git a/tests/TestFiles/testrun/MultipleTest/Oktavian/Oktavian_Co/openmc/settings.xml b/tests/TestFiles/testrun/MultipleTest/Oktavian/Oktavian_Co/openmc/settings.xml new file mode 100644 index 00000000..687cb82e --- /dev/null +++ b/tests/TestFiles/testrun/MultipleTest/Oktavian/Oktavian_Co/openmc/settings.xml @@ -0,0 +1,13 @@ + + + fixed source + + + 0 0 0 + + + 1.0 100000.0 1000000.0 10000000.0 14000000.0 0.0 1.0 1.0 1.0 1.0 + + + true + diff --git a/tests/TestFiles/testrun/Test/ITER_1D/openmc/geometry.xml b/tests/TestFiles/testrun/Test/ITER_1D/openmc/geometry.xml new file mode 100644 index 00000000..ccca7def --- /dev/null +++ b/tests/TestFiles/testrun/Test/ITER_1D/openmc/geometry.xml @@ -0,0 +1,215 @@ + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + diff --git a/tests/TestFiles/testrun/Test/ITER_1D/openmc/materials.xml b/tests/TestFiles/testrun/Test/ITER_1D/openmc/materials.xml new file mode 100644 index 00000000..049cec3a --- /dev/null +++ b/tests/TestFiles/testrun/Test/ITER_1D/openmc/materials.xml @@ -0,0 +1,450 @@ + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + diff --git a/tests/TestFiles/testrun/Test/ITER_1D/openmc/settings.xml b/tests/TestFiles/testrun/Test/ITER_1D/openmc/settings.xml new file mode 100644 index 00000000..687cb82e --- /dev/null +++ b/tests/TestFiles/testrun/Test/ITER_1D/openmc/settings.xml @@ -0,0 +1,13 @@ + + + fixed source + + + 0 0 0 + + + 1.0 100000.0 1000000.0 10000000.0 14000000.0 0.0 1.0 1.0 1.0 1.0 + + + true + diff --git a/tests/TestFiles/testrun/Test/ITER_1D/serpent/ITER_1D.i b/tests/TestFiles/testrun/Test/ITER_1D/serpent/ITER_1D.i new file mode 100644 index 00000000..e1f9c585 --- /dev/null +++ b/tests/TestFiles/testrun/Test/ITER_1D/serpent/ITER_1D.i @@ -0,0 +1,643 @@ +% --- surface definitions --- % +surf 1 cylz 0.0 0.0 287.5 +surf 60 cylz 0.0 0.0 291.97 +surf 61 cylz 0.0 0.0 296.44 +surf 62 cylz 0.0 0.0 300.91 +surf 63 cylz 0.0 0.0 305.38 +surf 64 cylz 0.0 0.0 309.85 +surf 65 cylz 0.0 0.0 314.32 +surf 66 cylz 0.0 0.0 318.79 +surf 67 cylz 0.0 0.0 323.26 +surf 68 cylz 0.0 0.0 327.73 +surf 69 cylz 0.0 0.0 332.2 +surf 70 cylz 0.0 0.0 336.67 +surf 71 cylz 0.0 0.0 341.14 +surf 72 cylz 0.0 0.0 345.61 +surf 73 cylz 0.0 0.0 350.08 +surf 74 cylz 0.0 0.0 354.55 +surf 75 cylz 0.0 0.0 359.02 +surf 76 cylz 0.0 0.0 363.49 +surf 77 cylz 0.0 0.0 367.96 +surf 78 cylz 0.0 0.0 372.43 +surf 2 cylz 0.0 0.0 376.9 +surf 3 cylz 0.0 0.0 377.0 +surf 4 cylz 0.0 0.0 390.5 +surf 5 cylz 0.0 0.0 395.5 +surf 6 cylz 0.0 0.0 400.5 +surf 80 cylz 0.0 0.0 406.6 +surf 81 cylz 0.0 0.0 412.7 +surf 82 cylz 0.0 0.0 418.8 +surf 83 cylz 0.0 0.0 424.9 +surf 7 cylz 0.0 0.0 431.0 +surf 8 cylz 0.0 0.0 436.0 +surf 9 cylz 0.0 0.0 441.0 +surf 10 cylz 0.0 0.0 447.9 +surf 11 cylz 0.0 0.0 451.0 +surf 12 cylz 0.0 0.0 455.2 +surf 13 cylz 0.0 0.0 458.2 +surf 14 cylz 0.0 0.0 465.2 +surf 15 cylz 0.0 0.0 468.2 +surf 16 cylz 0.0 0.0 473.7 +surf 17 cylz 0.0 0.0 476.7 +surf 18 cylz 0.0 0.0 481.7 +surf 19 cylz 0.0 0.0 484.7 +surf 20 cylz 0.0 0.0 487.0 +surf 21 cylz 0.0 0.0 489.0 +surf 22 cylz 0.0 0.0 490.0 +surf 23 cylz 0.0 0.0 493.6 +surf 24 cylz 0.0 0.0 493.7 +surf 25 cylz 0.0 0.0 494.2 +surf 26 cylz 0.0 0.0 495.0 +surf 27 cylz 0.0 0.0 506.6 +surf 28 cylz 0.0 0.0 1115.0 +surf 29 cylz 0.0 0.0 1131.3 +surf 30 cylz 0.0 0.0 1132.1 +surf 31 cylz 0.0 0.0 1132.6 +surf 32 cylz 0.0 0.0 1132.7 +surf 33 cylz 0.0 0.0 1136.3 +surf 34 cylz 0.0 0.0 1137.3 +surf 35 cylz 0.0 0.0 1139.3 +surf 36 cylz 0.0 0.0 1141.6 +surf 37 cylz 0.0 0.0 1144.6 +surf 38 cylz 0.0 0.0 1149.6 +surf 39 cylz 0.0 0.0 1152.6 +surf 40 cylz 0.0 0.0 1158.1 +surf 41 cylz 0.0 0.0 1161.1 +surf 42 cylz 0.0 0.0 1168.1 +surf 43 cylz 0.0 0.0 1171.1 +surf 44 cylz 0.0 0.0 1175.3 +surf 45 cylz 0.0 0.0 1178.4 +surf 46 cylz 0.0 0.0 1185.3 +surf 47 cylz 0.0 0.0 1222.8 +surf 48 cylz 0.0 0.0 1227.8 +surf 84 cylz 0.0 0.0 1232.49 +surf 85 cylz 0.0 0.0 1237.18 +surf 86 cylz 0.0 0.0 1241.87 +surf 87 cylz 0.0 0.0 1246.56 +surf 88 cylz 0.0 0.0 1251.25 +surf 89 cylz 0.0 0.0 1255.94 +surf 90 cylz 0.0 0.0 1260.63 +surf 91 cylz 0.0 0.0 1265.32 +surf 92 cylz 0.0 0.0 1270.01 +surf 49 cylz 0.0 0.0 1274.7 +surf 50 cylz 0.0 0.0 1279.7 +surf 51 cylz 0.0 0.0 1284.7 +surf 52 cylz 0.0 0.0 1300.0 +surf 53 cylz 0.0 0.0 1300.1 +surf 93 cylz 0.0 0.0 1304.57 +surf 94 cylz 0.0 0.0 1309.04 +surf 95 cylz 0.0 0.0 1313.51 +surf 96 cylz 0.0 0.0 1317.98 +surf 97 cylz 0.0 0.0 1322.45 +surf 98 cylz 0.0 0.0 1326.92 +surf 99 cylz 0.0 0.0 1331.39 +surf 100 cylz 0.0 0.0 1335.86 +surf 101 cylz 0.0 0.0 1340.33 +surf 102 cylz 0.0 0.0 1344.8 +surf 103 cylz 0.0 0.0 1349.27 +surf 104 cylz 0.0 0.0 1353.74 +surf 105 cylz 0.0 0.0 1358.21 +surf 106 cylz 0.0 0.0 1362.68 +surf 107 cylz 0.0 0.0 1367.15 +surf 108 cylz 0.0 0.0 1371.62 +surf 109 cylz 0.0 0.0 1376.09 +surf 110 cylz 0.0 0.0 1380.56 +surf 111 cylz 0.0 0.0 1385.03 +surf 54 cylz 0.0 0.0 1389.5 +surf 55 pz 1000.0 +surf 56 pz -1000.0 +% --- cell definitions --- % +cell 1 0 void ( -55 56 -1 ) +cell 2 0 13 ( -55 56 1 -60 ) +cell 3 0 13 ( -55 56 60 -61 ) +cell 4 0 13 ( -55 56 61 -62 ) +cell 5 0 13 ( -55 56 62 -63 ) +cell 6 0 13 ( -55 56 63 -64 ) +cell 7 0 13 ( -55 56 64 -65 ) +cell 8 0 13 ( -55 56 65 -66 ) +cell 9 0 13 ( -55 56 66 -67 ) +cell 10 0 13 ( -55 56 67 -68 ) +cell 11 0 13 ( -55 56 68 -69 ) +cell 12 0 13 ( -55 56 69 -70 ) +cell 13 0 13 ( -55 56 70 -71 ) +cell 14 0 13 ( -55 56 71 -72 ) +cell 15 0 13 ( -55 56 72 -73 ) +cell 16 0 13 ( -55 56 73 -74 ) +cell 17 0 13 ( -55 56 74 -75 ) +cell 18 0 13 ( -55 56 75 -76 ) +cell 19 0 13 ( -55 56 76 -77 ) +cell 20 0 13 ( -55 56 77 -78 ) +cell 21 0 13 ( -55 56 78 -2 ) +cell 22 0 1 ( -55 56 2 -3 ) +cell 23 0 void ( -55 56 3 -4 ) +cell 24 0 14 ( -55 56 4 -5 ) +cell 25 0 12 ( -55 56 5 -6 ) +cell 26 0 15 ( -55 56 6 -80 ) +cell 27 0 15 ( -55 56 80 -81 ) +cell 28 0 15 ( -55 56 81 -82 ) +cell 29 0 15 ( -55 56 82 -83 ) +cell 30 0 15 ( -55 56 83 -7 ) +cell 31 0 12 ( -55 56 7 -8 ) +cell 32 0 void ( -55 56 8 -9 ) +cell 33 0 11 ( -55 56 9 -10 ) +cell 34 0 7 ( -55 56 10 -11 ) +cell 35 0 11 ( -55 56 11 -12 ) +cell 36 0 7 ( -55 56 12 -13 ) +cell 37 0 11 ( -55 56 13 -14 ) +cell 38 0 7 ( -55 56 14 -15 ) +cell 39 0 11 ( -55 56 15 -16 ) +cell 40 0 7 ( -55 56 16 -17 ) +cell 41 0 11 ( -55 56 17 -18 ) +cell 42 0 7 ( -55 56 18 -19 ) +cell 43 0 11 ( -55 56 19 -20 ) +cell 44 0 7 ( -55 56 20 -21 ) +cell 45 0 11 ( -55 56 21 -22 ) +cell 46 0 7 ( -55 56 22 -23 ) +cell 47 0 11 ( -55 56 23 -24 ) +cell 48 0 8 ( -55 56 24 -25 ) +cell 49 0 9 ( -55 56 25 -26 ) +cell 50 0 void ( -55 56 26 -27 ) +cell 51 0 void ( -55 56 27 -28 ) +cell 52 0 void ( -55 56 28 -29 ) +cell 53 0 9 ( -55 56 29 -30 ) +cell 54 0 8 ( -55 56 30 -31 ) +cell 55 0 11 ( -55 56 31 -32 ) +cell 56 0 7 ( -55 56 32 -33 ) +cell 57 0 11 ( -55 56 33 -34 ) +cell 58 0 7 ( -55 56 34 -35 ) +cell 59 0 11 ( -55 56 35 -36 ) +cell 60 0 7 ( -55 56 36 -37 ) +cell 61 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a/tests/testrun_test.py +++ b/tests/testrun_test.py @@ -74,7 +74,7 @@ class TestTest: files = os.path.join(FILES, "Test") dummyout = os.path.join(FILES, "dummy") - def test_build_normal(self, LM: LibManager, LOGFILE: Log): + def test_build_normal(self, LM: LibManager, tmpdir, LOGFILE: Log): # Just check that nothing breaks lib = "81c" inp_name = "ITER_1D" @@ -89,18 +89,16 @@ def test_build_normal(self, LM: LibManager, LOGFILE: Log): # "Relative Error cut-off": "F1-0.1", "Custom Input": 2, "MCNP": True, + "OpenMC": True, + "Serpent": True, } config = pd.Series(config_data) VRTpath = "dummy" conf_path = "dummy" # Build the test - test = Test(inp, lib, config, LOGFILE, VRTpath, conf_path) - try: - os.mkdir(self.dummyout) - test.generate_test(self.dummyout, LM) - finally: - rmtree(self.dummyout) + test = Test(inp, lib, config, LOGFILE, conf_path, runoption='c') + test.generate_test(tmpdir, LM) assert True @@ -199,7 +197,7 @@ class TestMultipleTest: files = os.path.join(FILES, "MultipleTest") dummyout = os.path.join(FILES, "dummy") - def test_build(self, LM: LibManager, LOGFILE: Log): + def test_build(self, LM: LibManager, tmpdir, LOGFILE: Log): # Just check that nothing breaks lib = "31c" # inp_folder = os.path.join(self.files, "Inputs") @@ -215,6 +213,8 @@ def test_build(self, LM: LibManager, LOGFILE: Log): # "Relative Error cut-off": None, "Custom Input": 3, "MCNP": True, + "OpenMC": True, + "Serpent": True, } config = pd.Series(config_data) # VRTpath = "dummy" @@ -222,9 +222,6 @@ def test_build(self, LM: LibManager, LOGFILE: Log): # Build the test test = MultipleTest(inp, lib, config, LOGFILE, conf_path, runoption="c") - try: - os.mkdir(self.dummyout) - test.generate_test(self.dummyout, LM) - finally: - rmtree(self.dummyout) + test.generate_test(tmpdir, LM) + assert True From 85ee60784fb9cd97986dc523300c66ac951274c6 Mon Sep 17 00:00:00 2001 From: Davide Laghi Date: Tue, 20 Feb 2024 13:01:02 +0100 Subject: [PATCH 14/18] supporting continue assessment --- jade/gui.py | 47 +++++++++++++++++++++------ jade/status.py | 11 ++++--- jade/testrun.py | 85 ++++++++++++++++++++++++++++++++----------------- 3 files changed, 101 insertions(+), 42 deletions(-) diff --git a/jade/gui.py b/jade/gui.py index 1e29e4e6..a49ed30e 100644 --- a/jade/gui.py +++ b/jade/gui.py @@ -357,21 +357,50 @@ def comploop(session: Session): elif len(unfinished) == 0: print(" The assessment is already completed") else: + runoption = session.conf.run_option() print(" Completing sphere assessment:") session.log.adjourn( "Assessment of: " + lib + " started", spacing=False, time=True ) flagOk = True - for directory in tqdm(unfinished): - path = os.path.join(motherdir, directory) - name = directory + "_" + for code, directories in unfinished.items(): + for directory in tqdm(directories, desc=code): + path = os.path.join(motherdir, directory, code) + name = directory + "_" + if code == "mcnp": + flag = testrun.Test.run_mcnp( + lib, + session.conf, + session.lib_manager, + name, + path, + runoption=runoption, + ) + elif code == "openmc": + flag = testrun.Test.run_openmc( + lib, + session.conf, + session.lib_manager, + path, + runoption=runoption, + ) + elif code == "serpent": + flag = testrun.Test.run_serpent( + lib, + session.conf, + session.lib_manager, + name, + path, + runoption=runoption, + ) + else: + raise ValueError("Code not recognized") - flag = testrun.Test._runMCNP( - "mcnp6", name, path, cpu=session.conf.cpu - ) - if flag: - flagOk = False - session.log.adjourn(name + " reached timeout, eliminate folder") + if flag: + flagOk = False + session.log.adjourn( + name + " reached timeout, eliminate folder" + ) if not flagOk: print( diff --git a/jade/status.py b/jade/status.py index e3d0bbc8..3bacc7a5 100644 --- a/jade/status.py +++ b/jade/status.py @@ -237,11 +237,14 @@ def get_unfinished_zaids( return None # Not Generated unfinished = {} - for code in folders: - unfinished[code] = [] - for zaid in folders[code]: - files = folders[code][zaid] + # loop on all zaids + for zaid, codes in folders.items(): + # loop on all codes + for code, files in codes.items(): + # add to the list of unfinished if not run (for each code) if not self.check_test_run(files, code): + if code not in unfinished: + unfinished[code] = [] unfinished[code].append(zaid) motherdir = os.path.join(self.run_path, lib, test) diff --git a/jade/testrun.py b/jade/testrun.py index ffd40919..b81e1f61 100644 --- a/jade/testrun.py +++ b/jade/testrun.py @@ -36,6 +36,8 @@ import jade.matreader as mat import jade.unix as unix from jade.parsersD1S import IrradiationFile, Reaction, ReactionFile +from jade.configuration import Configuration +from jade.libmanager import LibManager # colors CRED = "\033[91m" @@ -159,6 +161,26 @@ def __init__(self, inp, lib, config, log, confpath, runoption): openmc_ipt = os.path.join(inp, "openmc") self.openmc_inp = ipt.OpenMCInputFiles.from_path(openmc_ipt) + @staticmethod + def _get_lib(lib: str | dict) -> str: + """Get the library name. + + Parameters + ---------- + lib : str | dict + Library name. + + Returns + ------- + str + Library name. + """ + if isinstance(lib, dict): + lib = list(lib.values())[0] + elif isinstance(lib, str): + lib = lib + return lib + def _translate_input(self, lib, libmanager): """ Translate the input template to selected library @@ -311,6 +333,7 @@ def run(self, config, libmanager, runoption: str) -> None: directory = self.run_dir name = self.name + lib = self._get_lib(self.lib) if self.d1s: d1s_directory = os.path.join(directory, "d1s") @@ -320,22 +343,24 @@ def run(self, config, libmanager, runoption: str) -> None: if self.mcnp: mcnp_directory = os.path.join(directory, "mcnp") if pd.isnull(config.mcnp_exec) is not True: - self.run_mcnp(config, libmanager, name, mcnp_directory, runoption) + self.run_mcnp(lib, config, libmanager, name, mcnp_directory, runoption) if self.serpent: serpent_directory = os.path.join(directory, "serpent") if pd.isnull(config.serpent_exec) is not True: - self.run_serpent(config, libmanager, name, serpent_directory, runoption) + self.run_serpent( + lib, config, libmanager, name, serpent_directory, runoption + ) if self.openmc: openmc_directory = os.path.join(directory, "openmc") if pd.isnull(config.openmc_exec) is not True: - self.run_openmc(config, libmanager, name, openmc_directory, runoption) + self.run_openmc(lib, config, libmanager, openmc_directory, runoption) # Edited by D.Wheeler, UKAEA # Job submission currently tailored for LoadLeveler, may be applicable to other submission systems with equivalent dummy variables + @staticmethod def job_submission( - self, config, directory: str, run_command: list, @@ -521,8 +546,9 @@ def run_d1s( return flagnotrun + @staticmethod def run_mcnp( - self, + lib: str, config, lib_manager, name: str, @@ -534,6 +560,8 @@ def run_mcnp( Parameters ---------- + lib : str + library to be run, needed to get the correct xsdir file config : Configuration settings lib_manager : @@ -565,11 +593,6 @@ def run_mcnp( inputstring = "i=" + name outputstring = "n=" + name - if isinstance(self.lib, dict): - lib = list(self.lib.values())[0] - elif isinstance(self.lib, str): - lib = self.lib - xsstring = "xs=" + str(lib_manager.data["mcnp"][lib].filename) if run_mpi: @@ -619,7 +642,7 @@ def run_mcnp( # Run MCNP as a job cwd = os.getcwd() os.chdir(directory) - self.job_submission( + Test.job_submission( config, directory, run_command, @@ -633,19 +656,21 @@ def run_mcnp( return flagnotrun + @staticmethod def run_serpent( - self, - config, - lib_manager, + lib: str, + config: Configuration, + lib_manager: LibManager, name: str, directory: Path, runoption: str, - timeout=None, ) -> bool: """Run Serpent simulation either on the command line or submitted as a job. Parameters ---------- + lib : str + library to assess. needed to recover path to nuclear data config : Configuration settings lib_manager : @@ -678,7 +703,7 @@ def run_serpent( executable = config.serpent_exec env_variables = config.serpent_config inputstring = name - libpath = Path(str(lib_manager.data["serpent"][self.lib].filename)) + libpath = Path(str(lib_manager.data["serpent"][lib].filename)) data_command = ( "export SERPENT_DATA=" + str(libpath.parent) @@ -726,7 +751,7 @@ def run_serpent( # Run Serpent as a job cwd = os.getcwd() os.chdir(directory) - self.job_submission( + Test.job_submission( config, directory, run_command, @@ -739,25 +764,28 @@ def run_serpent( return flagnotrun + @staticmethod def run_openmc( - self, config, lib_manager, name: str, directory, runoption, timeout=None + lib: str, + config: Configuration, + lib_manager: LibManager, + directory: os.PathLike, + runoption: str, ) -> bool: """Run OpenMC simulation either on the command line or submitted as a job. Parameters ---------- + lib: str + library to assess. needed to recover path to nuclear data config : Configuration settings lib_manager : libmanager - name : str - Name of the simulation directory : str, path Directory where the simulation will be executed runoption: str Whether JADE run in parallel or command line - timeout : float, optional - Maximum time to wait for simulation of complete, by default None Returns ------- @@ -778,7 +806,7 @@ def run_openmc( executable = config.openmc_exec env_variables = config.openmc_config - libpath = Path(str(lib_manager.data["openmc"][self.lib].filename)) + libpath = Path(str(lib_manager.data["openmc"][lib].filename)) data_command = "export OPENMC_CROSS_SECTIONS=" + str(libpath) # Run OpenMC from command line either OMP, MPI or hybrid MPI-OMP @@ -819,7 +847,7 @@ def run_openmc( # Run Serpent as a job cwd = os.getcwd() os.chdir(directory) - self.job_submission( + Test.job_submission( config, directory, run_command, @@ -1272,6 +1300,7 @@ def run(self, config, libmanager, runoption: str) -> None: """ directory = self.run_dir + lib = self._get_lib(self.lib) if self.d1s: d1s_directory = os.path.join(directory) @@ -1292,7 +1321,7 @@ def run(self, config, libmanager, runoption: str) -> None: for folder in tqdm(os.listdir(mcnp_directory)): run_directory = os.path.join(mcnp_directory, folder, "mcnp") self.run_mcnp( - config, libmanager, folder + "_", run_directory, runoption + lib, config, libmanager, folder + "_", run_directory, runoption ) if self.serpent: @@ -1301,7 +1330,7 @@ def run(self, config, libmanager, runoption: str) -> None: for folder in tqdm(os.listdir(serpent_directory)): run_directory = os.path.join(serpent_directory, folder, "serpent") self.run_serpent( - config, libmanager, folder + "_", run_directory, runoption + lib, config, libmanager, folder + "_", run_directory, runoption ) if self.openmc: @@ -1309,9 +1338,7 @@ def run(self, config, libmanager, runoption: str) -> None: if pd.isnull(config.openmc_exec) is not True: for folder in tqdm(os.listdir(openmc_directory)): run_directory = os.path.join(openmc_directory, folder, "openmc") - self.run_openmc( - config, libmanager, folder + "_", run_directory, runoption - ) + self.run_openmc(lib, config, libmanager, run_directory, runoption) class SphereTestSDDR(SphereTest): From 449535b66fb52869bfa69c7e140afcf45b9f7977 Mon Sep 17 00:00:00 2001 From: Davide Laghi Date: Tue, 20 Feb 2024 13:09:11 +0100 Subject: [PATCH 15/18] added annotation import --- jade/testrun.py | 2 +- tests/testrun_test.py | 3 ++- 2 files changed, 3 insertions(+), 2 deletions(-) diff --git a/jade/testrun.py b/jade/testrun.py index b81e1f61..fcac4aac 100644 --- a/jade/testrun.py +++ b/jade/testrun.py @@ -20,7 +20,7 @@ # You should have received a copy of the GNU General Public License # along with JADE. If not, see . - +from __future__ import annotations import os import shutil import subprocess diff --git a/tests/testrun_test.py b/tests/testrun_test.py index a37af0b9..6b65b059 100644 --- a/tests/testrun_test.py +++ b/tests/testrun_test.py @@ -20,6 +20,7 @@ along with JADE. If not, see . """ +from __future__ import annotations import sys import os import pandas as pd @@ -97,7 +98,7 @@ def test_build_normal(self, LM: LibManager, tmpdir, LOGFILE: Log): conf_path = "dummy" # Build the test - test = Test(inp, lib, config, LOGFILE, conf_path, runoption='c') + test = Test(inp, lib, config, LOGFILE, conf_path, runoption="c") test.generate_test(tmpdir, LM) assert True From 9d860eb3b2ad00fa0ba33f274a4e7a6e0e4c9fe2 Mon Sep 17 00:00:00 2001 From: AlbertoBittes <116062815+AlbertoBittes@users.noreply.github.com> Date: Tue, 20 Feb 2024 13:35:32 +0100 Subject: [PATCH 16/18] excel_suppport first tests --- .coverage | Bin 53248 -> 53248 bytes .gitignore | 3 +- jade/excelsupport.py | 58 ++--- jade/sphereoutput.py | 419 +++++++++++++++++++------------------ tests/excelsupport_test.py | 62 ++++++ 5 files changed, 303 insertions(+), 239 deletions(-) create mode 100644 tests/excelsupport_test.py diff --git a/.coverage b/.coverage index 7dfc8fb82ad94e35e7476341177948054ad0de24..b778137878d1c823dbb85aecf2bae1753c4e714a 100644 GIT binary patch literal 53248 zcmeI5d5jy?8NlCoygq0Ayr-RPRvC`OyJR=n-JqZbC|;7Fh9uA&6w)|#X1%k!roJ*B zC%bAxY=R(&wxH5Ol~4m2x8dc=YMuz2O2JAV&m<01+SpL_iQ| z>{o(`HEX2%Pg(kG!LUp{XPCBBcO2L?b7+@#Xy(?vyEHpZ8;xk-CML8Q%`BhPDu$`e z=L?3GFU{q1x|J_2Xx5_PXxFO79G>wY4bFL}xLM@KP&PjYxh!J=il~_RqHZp0pEQ=o zg+jA7%UH7P1SrJFFO*P28*OGE(@bODFpW~qsM@U<&CiWR#?G9M1QY%J(nE%@NjG!w ziFR2732jq$&qG1EvN?yXpEdPTZqcZYYkJGVTp8NAWZBl5<>D5rtQGPlVP>hCxANtZ zW-J-Gnq|yg*1&Ou<~V@YX$_Qh3=KMF=WN#1L8qPhGC7;-&CK)AxKi1{+RlhoLuS$D zQmr@($nUKcE7&=Z!>-sWyXADtYn7YEzVE)dOkcL`?dnbkIrgZXt5(V%uNke*AJ^JB z$AuZC^0NTq@;#uhY>=X#)f!xdvQwDQucIUuo?wm7Q92mNZ6HO~O z6``dc=xD>nLL0Q%LV31(tcej*HDH3kTHvV7*Gf5@Dpj;0S3Y5w`hu~!dDLDOKInl2 zLuV=+NbFkgHgsA;AUo9xMjC4Z!Nl;ebbnY3qh@b4ymIy-GTBq_(YQ*3JUr~SoHBLcQqMP+D+bLEKi)! 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header not printes: column,value", column, value) - startrow = startrow + 1 - - for i, row in enumerate(range(startrow, startrow + len(df))): - for j, column in enumerate(range(startcolumn, startcolumn + len(df.columns))): - value = values[i][j] - try: - ws.cell(column=column, row=row, value=value) - # ws.range((row, column)).value = value - except (AttributeError, ValueError) as e: - print(e) - print( - "Warning! value not printed: row, column, value", row, column, value - ) +# def insert_df(startrow, startcolumn, df, ws, header=True): +# """ +# Insert a DataFrame (df) into a Worksheet (ws) using xlwings. +# (startrow) and (startcolumn) identify the starting data entry +# """ +# columns = list(df.columns) +# values = df.values +# if header: +# for i, column in enumerate(range(startcolumn, startcolumn + len(columns))): +# value = columns[i] +# try: +# ws.cell(column=column, row=startrow, value=value) +# # ws.range((startrow, column)).value = value +# except (AttributeError, ValueError) as e: +# print(e) +# print("Warning! header not printes: column,value", column, value) +# startrow = startrow + 1 + +# for i, row in enumerate(range(startrow, startrow + len(df))): +# for j, column in enumerate(range(startcolumn, startcolumn + len(df.columns))): +# value = values[i][j] +# try: +# ws.cell(column=column, row=row, value=value) +# # ws.range((row, column)).value = value +# except (AttributeError, ValueError) as e: +# print(e) +# print( +# "Warning! value not printed: row, column, value", row, column, value +# ) def single_excel_writer(self, outpath, lib, testname, tallies, stats=None): diff --git a/jade/sphereoutput.py b/jade/sphereoutput.py index 3680ee99..f18efade 100644 --- a/jade/sphereoutput.py +++ b/jade/sphereoutput.py @@ -31,6 +31,7 @@ import numpy as np import pandas as pd import xlsxwriter + # import openpyxl # from openpyxl.utils.dataframe import dataframe_to_rows from tqdm import tqdm @@ -487,67 +488,67 @@ def pp_excel_single(self): # template = os.path.join(os.getcwd(), 'templates', 'Sphere_single.xlsx') # outpath = os.path.join(self.excel_path, 'Sphere_single_' + # self.lib+'.xlsx') - """ - # Get results - results = [] - errors = [] - stat_checks = [] - outputs = {} - for folder in os.listdir(self.test_path): - results_path = os.path.join(self.test_path, folder) - pieces = folder.split('_') - # Get zaid - zaidnum = pieces[-2] - # Check for material exception - if zaidnum == 'Sphere': - zaidnum = pieces[-1].upper() - zaidname = self.mat_settings.loc[zaidnum, 'Name'] - else: - zaidname = pieces[-1] - # Get mfile - for file in os.listdir(results_path): - if file[-1] == 'm': - mfile = file - elif file[-1] == 'o': - ofile = file - # Parse output - output = SphereMCNPoutput(os.path.join(results_path, mfile), - os.path.join(results_path, ofile)) - outputs[zaidnum] = output - # Adjourn raw Data - self.raw_data[zaidnum] = output.tallydata - # Recover statistical checks - st_ck = output.stat_checks - # Recover results and precisions - res, err = output.get_single_excel_data() - for dic in [res, err, st_ck]: - dic['Zaid'] = zaidnum - dic['Zaid Name'] = zaidname - results.append(res) - errors.append(err) - stat_checks.append(st_ck) - - # Generate DataFrames - results = pd.DataFrame(results) - errors = pd.DataFrame(errors) - stat_checks = pd.DataFrame(stat_checks) - - # Swap Columns and correct zaid sorting - # results - for df in [results, errors, stat_checks]: - df['index'] = pd.to_numeric(df['Zaid'].values, errors='coerce') - df.sort_values('index', inplace=True) - del df['index'] - - df.set_index(['Zaid', 'Zaid Name'], inplace=True) - df.reset_index(inplace=True) + # """ + # # Get results + # results = [] + # errors = [] + # stat_checks = [] + # outputs = {} + # for folder in os.listdir(self.test_path): + # results_path = os.path.join(self.test_path, folder) + # pieces = folder.split('_') + # # Get zaid + # zaidnum = pieces[-2] + # # Check for material exception + # if zaidnum == 'Sphere': + # zaidnum = pieces[-1].upper() + # zaidname = self.mat_settings.loc[zaidnum, 'Name'] + # else: + # zaidname = pieces[-1] + # # Get mfile + # for file in os.listdir(results_path): + # if file[-1] == 'm': + # mfile = file + # elif file[-1] == 'o': + # ofile = file + # # Parse output + # output = SphereMCNPoutput(os.path.join(results_path, mfile), + # os.path.join(results_path, ofile)) + # outputs[zaidnum] = output + # # Adjourn raw Data + # self.raw_data[zaidnum] = output.tallydata + # # Recover statistical checks + # st_ck = output.stat_checks + # # Recover results and precisions + # res, err = output.get_single_excel_data() + # for dic in [res, err, st_ck]: + # dic['Zaid'] = zaidnum + # dic['Zaid Name'] = zaidname + # results.append(res) + # errors.append(err) + # stat_checks.append(st_ck) + + # # Generate DataFrames + # results = pd.DataFrame(results) + # errors = pd.DataFrame(errors) + # stat_checks = pd.DataFrame(stat_checks) + + # # Swap Columns and correct zaid sorting + # # results + # for df in [results, errors, stat_checks]: + # df['index'] = pd.to_numeric(df['Zaid'].values, errors='coerce') + # df.sort_values('index', inplace=True) + # del df['index'] + + # df.set_index(['Zaid', 'Zaid Name'], inplace=True) + # df.reset_index(inplace=True) - self.outputs = outputs - self.results = results - self.errors = errors - self.stat_checks = stat_checks - """ - """ Excel writer removed by S. Bradnam """ + # self.outputs = outputs + # self.results = results + # self.errors = errors + # self.stat_checks = stat_checks + # """ + # """ Excel writer removed by S. Bradnam """ ## Write excel # ex = SphereExcelOutputSheet(template, outpath) ## Results @@ -1210,36 +1211,36 @@ def pp_excel_comparison(self): self.sphere_comp_excel_writer( outpath, name, final, absdiff, std_dev, summary ) - """ - # ex = SphereExcelOutputSheet(template, outpath) - # Prepare the copy of the comparison sheet - template_sheet = 'Comparison' - template_absdiff = 'Comparison (Abs diff)' - ws_comp = ex.wb.sheets[template_sheet] - ws_diff = ex.wb.sheets[template_absdiff] - - # WRITE RESULTS - # Percentage comparison - rangeex = ws_comp.range('B10') - rangeex.options(index=True, header=True).value = final - ws_comp.range('D1').value = name - rangeex2 = ws_comp.range('V10') - rangeex2.options(index=True, header=True).value = summary - # Absolute difference comparison - rangeex = ws_diff.range('B10') - rangeex.options(index=True, header=True).value = absdiff - ws_diff.range('D1').value = name - - # Add single pp sheets - for lib in [reflib, tarlib]: - cp = self.session.state.get_path('single', - [lib, 'Sphere', 'Excel']) - file = os.listdir(cp)[0] - cp = os.path.join(cp, file) - ex.copy_sheets(cp) - - ex.save() - """ + # """ + # # ex = SphereExcelOutputSheet(template, outpath) + # # Prepare the copy of the comparison sheet + # template_sheet = 'Comparison' + # template_absdiff = 'Comparison (Abs diff)' + # ws_comp = ex.wb.sheets[template_sheet] + # ws_diff = ex.wb.sheets[template_absdiff] + + # # WRITE RESULTS + # # Percentage comparison + # rangeex = ws_comp.range('B10') + # rangeex.options(index=True, header=True).value = final + # ws_comp.range('D1').value = name + # rangeex2 = ws_comp.range('V10') + # rangeex2.options(index=True, header=True).value = summary + # # Absolute difference comparison + # rangeex = ws_diff.range('B10') + # rangeex.options(index=True, header=True).value = absdiff + # ws_diff.range('D1').value = name + + # # Add single pp sheets + # for lib in [reflib, tarlib]: + # cp = self.session.state.get_path('single', + # [lib, 'Sphere', 'Excel']) + # file = os.listdir(cp)[0] + # cp = os.path.join(cp, file) + # ex.copy_sheets(cp) + + # ex.save() + # """ if self.openmc: iteration = 0 outputs = {} @@ -1923,7 +1924,7 @@ def sphere_comp_excel_writer(self, outpath, name, final, absdiff, std_dev, summa "format": green_cell_format, }, ) - """ABS DIFF""" + # """ABS DIFF""" # Merged Cells absdiff_sheet.merge_range("B1:C2", "LIBRARY", subtitle_merge_format) absdiff_sheet.merge_range("D1:E2", name, subtitle_merge_format) @@ -2135,33 +2136,33 @@ def get_comparison_data(self, tallies2pp, code): if tally in tallies2pp: tallies.append(tally) - """if code == "mcnp": - for tally in tallies: - tally_num = str(tally.tallyNumber) - # Isolate tally - masked = data.loc[tally.tallyComment[0]] - - if tally_num in ['12', '22', '4', '14']: # Coarse Flux bins - masked_tot = totalbins.loc[tally.tallyComment[0]] - # Get energy bins - bins = list(masked.reset_index()['Energy'].values) - for ebin in bins: - # colname = '(T.ly '+str(num)+') '+str(ebin) - colname = str(ebin)+' [MeV]'+' [t'+tally_num+']' - columns.append(colname) - results.append(masked['Value'].loc[ebin]) - errors.append(masked['Error'].loc[ebin]) - # Add the total bin - colname = 'Total'+' [t'+tally_num+']' - columns.append(colname) - results.append(masked_tot['Value']) - errors.append(masked_tot['Error']) - else: - columns.append(tally.tallyComment[0]) - results.append(masked['Value'].values[0]) - errors.append(masked['Error'].values[0]) - - if code == "openmc":""" + # """if code == "mcnp": + # for tally in tallies: + # tally_num = str(tally.tallyNumber) + # # Isolate tally + # masked = data.loc[tally.tallyComment[0]] + + # if tally_num in ['12', '22', '4', '14']: # Coarse Flux bins + # masked_tot = totalbins.loc[tally.tallyComment[0]] + # # Get energy bins + # bins = list(masked.reset_index()['Energy'].values) + # for ebin in bins: + # # colname = '(T.ly '+str(num)+') '+str(ebin) + # colname = str(ebin)+' [MeV]'+' [t'+tally_num+']' + # columns.append(colname) + # results.append(masked['Value'].loc[ebin]) + # errors.append(masked['Error'].loc[ebin]) + # # Add the total bin + # colname = 'Total'+' [t'+tally_num+']' + # columns.append(colname) + # results.append(masked_tot['Value']) + # errors.append(masked_tot['Error']) + # else: + # columns.append(tally.tallyComment[0]) + # results.append(masked['Value'].values[0]) + # errors.append(masked['Error'].values[0]) + + # if code == "openmc":""" for tally in tally_list: tally_num = str(tally["Tally N."].iloc[0]) tally_description = tally["Tally Description"].iloc[0] @@ -3111,94 +3112,94 @@ def get_single_excel_data(self): return vals, errors -class SphereExcelOutputSheet: - def __init__(self, template, outpath): - """ - Excel sheet reporting the outcome of an MCNP test - - template: (str/path) path to the sheet template - """ - self.outpath = outpath # Path to the excel file - # Open template - shutil.copy(template, outpath) - # self.app = xw.App(visible=False) - # self.wb = self.app.books.open(outpath) - # self.wb=openpyxl.load_workbook(filename=outpath) - - def insert_df(self, startrow, startcolumn, df, ws, header=True): - """ - Insert a DataFrame (df) into a Worksheet (ws) using openpyxl. - (startrow) and (startcolumn) identify the starting data entry - """ - # ws = self.wb.sheets[ws] - ws = self.wb[self.wb.sheetnames[ws]] - - exsupp.insert_df(startrow, startcolumn, df, ws, header=header) - - def copy_sheets(self, wb_origin_path): - """ - Copy all sheets of the selected excel file into the current one - - Parameters - ---------- - wb_origin_path : str/path - Path to excel file containing sheets to add. - - Returns - ------- - None. - - """ - wb = self.app.books.open(wb_origin_path) - for sheet in wb.sheets: - # copy to a new workbook - sheet.api.Copy() - - # copy to an existing workbook by putting it in front of a - # worksheet object - sheet.api.Copy(Before=self.wb.sheets[0].api) - - def copy_internal_sheet(self, template_sheet, newname): - """ - Return a renamed copy of a particular sheet - - Parameters - ---------- - template_sheet : xw.Sheet - sheet to copy. - newname : str - name of the new sheet. - - Returns - ------- - ws : xw.Sheet - copied sheet. - - """ - # Copy the template sheet - try: # Should work from v0.22 of xlwings - template_sheet.copy(before=template_sheet) - except AttributeError: - # Fall Back onto the native object - template_sheet.api.Copy(Before=template_sheet.api) - try: - ws = self.wb.sheets(template_sheet.name + " (2)") - # except pythoncom.com_error: - except Exception as e: - print("The available sheets are :" + str(self.wb.sheets)) - try: - ws.name = newname - # except pythoncom.com_error: - except Exception as e: - ws.Name = newname - return ws - - def save(self): - """ - Save Excel - """ - # self.app.calculate() - self.wb.save(self.outpath) - - # self.wb.close() - # self.app.quit() +# class SphereExcelOutputSheet: +# def __init__(self, template, outpath): +# """ +# Excel sheet reporting the outcome of an MCNP test + +# template: (str/path) path to the sheet template +# """ +# self.outpath = outpath # Path to the excel file +# # Open template +# shutil.copy(template, outpath) +# # self.app = xw.App(visible=False) +# # self.wb = self.app.books.open(outpath) +# # self.wb=openpyxl.load_workbook(filename=outpath) + +# def insert_df(self, startrow, startcolumn, df, ws, header=True): +# """ +# Insert a DataFrame (df) into a Worksheet (ws) using openpyxl. +# (startrow) and (startcolumn) identify the starting data entry +# """ +# # ws = self.wb.sheets[ws] +# ws = self.wb[self.wb.sheetnames[ws]] + +# exsupp.insert_df(startrow, startcolumn, df, ws, header=header) + +# def copy_sheets(self, wb_origin_path): +# """ +# Copy all sheets of the selected excel file into the current one + +# Parameters +# ---------- +# wb_origin_path : str/path +# Path to excel file containing sheets to add. + +# Returns +# ------- +# None. + +# """ +# wb = self.app.books.open(wb_origin_path) +# for sheet in wb.sheets: +# # copy to a new workbook +# sheet.api.Copy() + +# # copy to an existing workbook by putting it in front of a +# # worksheet object +# sheet.api.Copy(Before=self.wb.sheets[0].api) + +# def copy_internal_sheet(self, template_sheet, newname): +# """ +# Return a renamed copy of a particular sheet + +# Parameters +# ---------- +# template_sheet : xw.Sheet +# sheet to copy. +# newname : str +# name of the new sheet. + +# Returns +# ------- +# ws : xw.Sheet +# copied sheet. + +# """ +# # Copy the template sheet +# try: # Should work from v0.22 of xlwings +# template_sheet.copy(before=template_sheet) +# except AttributeError: +# # Fall Back onto the native object +# template_sheet.api.Copy(Before=template_sheet.api) +# try: +# ws = self.wb.sheets(template_sheet.name + " (2)") +# # except pythoncom.com_error: +# except Exception as e: +# print("The available sheets are :" + str(self.wb.sheets)) +# try: +# ws.name = newname +# # except pythoncom.com_error: +# except Exception as e: +# ws.Name = newname +# return ws + +# def save(self): +# """ +# Save Excel +# """ +# # self.app.calculate() +# self.wb.save(self.outpath) + +# # self.wb.close() +# # self.app.quit() diff --git a/tests/excelsupport_test.py b/tests/excelsupport_test.py new file mode 100644 index 00000000..d7bcbf8e --- /dev/null +++ b/tests/excelsupport_test.py @@ -0,0 +1,62 @@ +import pandas as pd +from jade.excelsupport import single_excel_writer, comp_excel_writer +import pytest +import os + + +class TestExcelSupport: + @pytest.fixture(autouse=True) + def setup(self): + # Setup: Create a sample DataFrame + self.lib = "00c" + self.testname = "Oktavian" + + self.df_value = pd.DataFrame({"A": [1, 2, 3], "B": [4, 5, 6]}) + + self.df_error = pd.DataFrame({"A": [0.1, 0.2, 0.3], "B": [0.4, 0.5, 0.6]}) + + # Define the dictionary + data = { + 1: { + "title": "Title 1", + "x_label": "A", + "Value": self.df_value, + "Error": self.df_error, + }, + 2: { + "title": "Title 2", + "x_label": "A", + "Value": self.df_value, + "Error": self.df_error, + }, + 3: { + "title": "Title 3", + "x_label": "A", + "Value": self.df_value, + "Error": self.df_error, + }, + } + + self.stats = { + "Tally Number": [1, 2, 3, 4, 5], + "Tally Description": [ + "Description 1", + "Description 2", + "Description 3", + "Description 4", + "Description 5", + ], + "Result": ["Missed", "Passed", "Missed", "Passed", "Missed"], + } + self.tallies = data + self.stat_df = pd.DataFrame(self.stats) + + def test_single_excel_writer(self, tmpdir): + # Test case: Write data to excel + outpath = tmpdir.join("test.xlsx") + single_excel_writer( + self, outpath, self.lib, self.testname, self.tallies, self.stat_df + ) + + # Assert that the file exists + assert os.path.exists(outpath) From 864463ddb8fb853131aa9b202b56c5fc577e7fa2 Mon Sep 17 00:00:00 2001 From: alexvalentine94 Date: Tue, 20 Feb 2024 12:40:39 +0000 Subject: [PATCH 17/18] remove pdf print --- jade/atlas.py | 24 +++--------------------- jade/expoutput.py | 4 ---- 2 files changed, 3 insertions(+), 25 deletions(-) diff --git a/jade/atlas.py b/jade/atlas.py index c78a19e5..9452649d 100644 --- a/jade/atlas.py +++ b/jade/atlas.py @@ -231,7 +231,7 @@ def save(self, outpath, pdfprint=True): """ outpath_word = os.path.join(outpath, self.outname + ".docx") - outpath_pdf = os.path.join(outpath, self.outname + ".pdf") + # outpath_pdf = os.path.join(outpath, self.outname + ".pdf") try: self.doc.save(outpath_word) @@ -240,27 +240,9 @@ def save(self, outpath, pdfprint=True): print(e) print("\n it may be due to invalid characters in the file name") + # Remove PDF printing. If required, word document can be saved manually. if pdfprint: - in_file = outpath_word - out_file = outpath_pdf - - doc = aspose.words.Document(in_file) - doc.save(out_file) - - # word = win32com.client.Dispatch('Word.Application') - # doc = word.Documents.Open(in_file) - # doc.ExportAsFixedFormat(OutputFileName=out_file, - # # 17 = PDF output, 18=XPS output - # ExportFormat=17, - # OpenAfterExport=False, - # # 0=Print (higher res), 1=Screen (lower res) - # OptimizeFor=0, - # # 0=No bookmarks, 1=Heading bookmarks only, 2=bookmarks match word bookmarks - # CreateBookmarks=1, - # DocStructureTags=True) - # - # doc.Close() - # word.Quit() + pass @staticmethod def _wrapper(paragraph, ptype): diff --git a/jade/expoutput.py b/jade/expoutput.py index 5a1708cb..97a269fa 100644 --- a/jade/expoutput.py +++ b/jade/expoutput.py @@ -182,7 +182,6 @@ def build_atlas(self): atlas = self._build_atlas(tmp_path, atlas) # Save Atlas - print(" Producing the PDF...") if self.mcnp: atlas.save(self.atlas_path_mcnp) elif self.d1s: @@ -505,7 +504,6 @@ def _pp_excel_comparison(self): Responsible for producing excel outputs """ # Dump the global C/E table - print(" Dump the C/E table in Excel...") ex_outpath = os.path.join( self.excel_path_d1s, self.testname + "_CE_tables.xlsx" ) @@ -769,8 +767,6 @@ def _define_title(self, input, quantity_CE): def _dump_ce_table(self): - print(" Dump the C/E table in Excel...") - final_table = pd.concat(self.tables) skipcol_global = 0 binning_list = ["Energy", "Time"] From bd3f07a907a3e2bfe3b78121d64a556d97790b69 Mon Sep 17 00:00:00 2001 From: AlbertoBittes <116062815+AlbertoBittes@users.noreply.github.com> Date: Tue, 20 Feb 2024 14:51:19 +0100 Subject: [PATCH 18/18] update_tests --- tests/excelsupport_test.py | 16 ++++++++++++++++ 1 file changed, 16 insertions(+) diff --git a/tests/excelsupport_test.py b/tests/excelsupport_test.py index d7bcbf8e..21b01db2 100644 --- a/tests/excelsupport_test.py +++ b/tests/excelsupport_test.py @@ -60,3 +60,19 @@ def test_single_excel_writer(self, tmpdir): # Assert that the file exists assert os.path.exists(outpath) + + def test_comp_excel_writer(self, tmpdir): + # Test case: Write data to excel + outpath = tmpdir.join("test.xlsx") + comp_excel_writer( + self, + outpath, + "32c_Vs_31c", + self.testname, + self.tallies, + self.tallies, + self.tallies, + ) + + # Assert that the file exists + assert os.path.exists(outpath)