def get_errorr(self, **fileOptions):
mydir = os.path.join(self.folder, fileOptions["FILENAME"])
os.makedirs(mydir, exist_ok=True)
utils.force_symlink(fileOptions["TAPE"], os.path.join(mydir, "tape20"))
text = self._moder_input(20, -21, **fileOptions)
# if "GENDFTAPE" in fileOptions:
# force_symlink(fileOptions["GENDFTAPE"], os.path.join(mydir, "tape29"))
# text += self.moder_input(29, 25, **fileOptions)
# p = 0; g = 25
# elif "PENDFTAPE" in kwargs:
utils.force_symlink(fileOptions["PENDFTAPE"], os.path.join(mydir, "tape29"))
text += self._moder_input(29, -25, **fileOptions)
p = -25; g = 0
errorrs = []; er = 30
for tmp in self.TEMPS:
text += self._errorr_input(-21, p, g, er, TMP=tmp, **fileOptions)
errorrs.append(er)
er += 1
text += "stop"
DfOutputs = OutputFiles()
inputfile = os.path.join(mydir, "input_errorr.{}".format(fileOptions["TAG"]))
DfOutputs = DfOutputs.append({"id" : "input_errorr", "format" : "TEXT", "file" : inputfile}, ignore_index=True)
with open(inputfile,'w') as f: f.write(text)
print(" --- run errorr for {} ---".format(fileOptions["TAG"]))
returncode, stdout, stderr = run_process("{} < {}".format(self.exe, inputfile), cwd=mydir)
newfile = os.path.join(mydir, "{}.errorr".format(fileOptions["TAG"]))
if os.path.isfile(newfile): os.remove(newfile)
with open(newfile, "a") as f:
for er in errorrs:
oldfile = os.path.join(mydir, "tape{}".format(er))
if not os.path.isfile(oldfile): continue
with open(oldfile) as g:
lines = g.readlines()
if er != errorrs[0]:
lines = lines[1:]
if er != errorrs[-1]:
lines = lines[:-1]
f.writelines(lines)
if os.path.getsize(newfile) == 0: os.remove(newfile)
if os.path.isfile(newfile): DfOutputs = DfOutputs.append({"id" : "errorr", "format" : "ERRORR", "file" : newfile}, ignore_index=True)
oldfile = os.path.join(mydir, "output")
newfile = os.path.join(mydir, "output_errorr.{}".format(fileOptions["TAG"]))
shutil.move(oldfile, newfile)
DfOutputs = DfOutputs.append({"id" : "output_errorr", "format" : "TEXT", "file" : newfile}, ignore_index=True)
DfMessages = NjoyOutput.from_file(newfile).get_messages()
for filename in os.listdir(mydir):
if filename[:4] == 'tape': os.remove(os.path.join(mydir, filename))
return DfOutputs, DfMessages
def get_gendf(self, **fileOptions):
mydir = os.path.join(self.folder, fileOptions["FILENAME"])
os.makedirs(mydir, exist_ok=True)
utils.force_symlink(fileOptions["TAPE"], os.path.join(mydir, "tape20"))
text = self._moder_input(20, -21, **fileOptions)
utils.force_symlink(fileOptions["PENDFTAPE"], os.path.join(mydir, "tape29"))
text += self._moder_input(29, -25, **fileOptions)
text += self._groupr_input(-21, -25, 0, -26, **fileOptions)
text += self._moder_input(-26, 30, **fileOptions)
text += "stop"
DfOutputs = OutputFiles()
inputfile = os.path.join(mydir, "input_gendf.{}".format(fileOptions["TAG"]))
DfOutputs = DfOutputs.append({"id" : "input_gendf", "format" : "TEXT", "file" : inputfile}, ignore_index=True)
with open(inputfile,'w') as f: f.write(text)
print(" --- run gendf for {} ---".format(fileOptions["TAG"]))
returncode, stdout, stderr = run_process("{} < {}".format(self.exe, inputfile), cwd=mydir)
oldfile = os.path.join(mydir, "tape30")
newfile = os.path.join(mydir, "{}.gendf".format(fileOptions["TAG"]))
if os.path.isfile(oldfile):
if os.path.getsize(oldfile) > 0:
shutil.move(oldfile, newfile)
DfOutputs = DfOutputs.append({"id" : "gendf", "format" : "GENDF", "file" : newfile}, ignore_index=True)
oldfile = os.path.join(mydir, "output")
newfile = os.path.join(mydir, "output_gendf.{}".format(fileOptions["TAG"]))
shutil.move(oldfile, newfile)
DfOutputs = DfOutputs.append({"id" : "output_gendf", "format" : "TEXT", "file" : newfile}, ignore_index=True)
DfMessages = NjoyOutput.from_file(newfile).get_messages()
for filename in os.listdir(mydir):
if filename[:4] == 'tape': os.remove(os.path.join(mydir, filename))
return DfOutputs, DfMessages
def get_ace(self, tape, mat=None, pendftape=None, tag=None,
**fileOptions):
""" Run the NJOY sequence to produce a ACE file.
"""
if mat is None: mat = mat_from_endf(tape)
fname = os.path.split(tape)[1]
if tag is None: tag = fname
mydir = os.path.join(self.wdir, fname)
os.makedirs(mydir, exist_ok=True)
if pendftape is None:
dfout, dferr = self.get_pendf(tape, mat=mat, pendftape=pendftape, tag=tag)
pendftape = dfout.query("id==\"pendf\"").file.iloc[0]
else:
dfout = OutputFiles()
dferr = NjoyMessages()
# Build njoy input text
utils.force_symlink(tape, os.path.join(mydir, "tape20"))
text = self._moder_input(20, -21)
utils.force_symlink(pendftape, os.path.join(mydir, "tape29"))
text += self._moder_input(29, -25)
aces = []; xsdirs = []
e = -21; p = -25; a = 40; x = 50
for tmp,suff in zip(self.temps, self.suffixes):
text += self._acer_input(e, p, a, x, mat, tmp, suff)
aces.append(a); xsdirs.append(x)
a += 1; x += 1
text += "stop"
# Run NJOY and process outputs
inputfile = os.path.join(mydir, "input_acer.{}".format(tag))
dfout = OutputFiles()
dfout = dfout.append({"id" : "input_acer", "format" : "ACE", "file" : inputfile}, ignore_index=True)
with open(inputfile,'w') as f: f.write(text)
returncode, stdout, stderr = utils.run_process(
"{} < {}".format(self.exe, inputfile),
cwd=mydir,
verbose=True,
)
# Process NJOY outputs
newfile = os.path.join(mydir, "{}.ace".format(tag))
if os.path.isfile(newfile): os.remove(newfile)
for a in aces:
oldfile = os.path.join(mydir, "tape{}".format(a))
if not os.path.isfile(oldfile): continue
with open(newfile, "a") as f, open(oldfile) as g: f.write(g.read())
if (os.path.isfile(newfile) and os.path.getsize(newfile) > 0):
dfout = dfout.append({"id" : "ace", "format" : "ACE", "file" : newfile}, ignore_index=True)
newfile = os.path.join(mydir, "{}.xsdir".format(tag))
if os.path.isfile(newfile): os.remove(newfile)
with open(newfile, "a") as f:
lines = []
for x in xsdirs:
oldfile = os.path.join(mydir, "tape{}".format(x))
if not os.path.isfile(oldfile): continue
with open(oldfile) as g:
xargs = g.read().split()
xargs[2] = "{}.ace".format(tag)
xargs[3] = "0"
lines.append(" ".join(xargs))
f.write("\n".join(lines))
if (os.path.isfile(newfile) and os.path.getsize(newfile) > 0):
dfout = dfout.append({"id" : "xsdir", "format" : "TEXT", "file" : newfile}, ignore_index=True)
oldfile = os.path.join(mydir, "output")
newfile = os.path.join(mydir, "output_acer.{}".format(tag))
if (os.path.isfile(oldfile) and os.path.getsize(oldfile) > 0):
shutil.move(oldfile, newfile)
dfout = dfout.append({"id" : "output_acer", "format" : "TEXT", "file" : newfile}, ignore_index=True)
dferr = NjoyOutput.from_file(newfile).get_messages()
for filename in os.listdir(mydir):
if filename[:4] == 'tape': os.remove(os.path.join(mydir, filename))
return dfout, dferr
def get_pendf(self, tape, mat=None, pendftape=None, tag=None,
**fileOptions):
""" Run NJOY sequence to produce a PENDF file.
"""
if mat is None: mat = mat_from_endf(tape)
fname = os.path.split(tape)[1]
if tag is None: tag = fname
mydir = os.path.join(self.wdir, fname)
os.makedirs(mydir, exist_ok=True)
DfOutputs = OutputFiles()
# Build njoy input text
utils.force_symlink(tape, os.path.join(mydir, "tape20"))
text = self._moder_input(20, -21)
if pendftape is None:
text += self._reconr_input(-21, -22, mat, self.err)
else:
utils.force_symlink(pendftape, os.path.join(mydir, "tape30"))
text += self._moder_input(30, -22)
e = -21; p = -22
if hasattr(self, "_temps"):
text += self._broadr_input(e, p, -23, mat, self.temps, self.err)
p = -23
if self.free_gas:
text += self._thermr_input(0, p, -24, mat, self.temps)
p = -24
if hasattr(self, "_sig0"):
text += self._unresr_input(e, p, -25, mat, self.temps, self.sig0)
p = -25
if self.ptable:
text += self._purr_input(e, p, -26, mat, self.temps, self.sig0)
p = -26
if hasattr(self, "_kerma"):
text += self._heatr_input(e, p, -27, **fileOptions)
p = -27
if self.gaspr:
text += self._gaspr_input(e, p, -28)
p = -28
text += self._moder_input(p, 29)
text += "stop"
# Run NJOY
inputfile = os.path.join(mydir, "input_pendf.{}".format(tag))
DfOutputs = DfOutputs.append({"id" : "input_pendf", "format" : "TEXT", "file" : inputfile}, ignore_index=True)
with open(inputfile,'w') as f: f.write(text)
returncode, stdout, stderr = utils.run_process(
"{} < {}".format(self.exe, inputfile),
cwd=mydir,
verbose=True,
)
# Process NJOY outputs
oldfile = os.path.join(mydir, "tape29")
newfile = os.path.join(mydir, "{}.pendf".format(tag))
if (os.path.isfile(oldfile) and os.path.getsize(oldfile) > 0):
shutil.move(oldfile, newfile)
DfOutputs = DfOutputs.append({"id" : "pendf", "format" : "ENDF", "file" : newfile}, ignore_index=True)
oldfile = os.path.join(mydir, "output")
newfile = os.path.join(mydir, "output_pendf.{}".format(tag))
if (os.path.isfile(oldfile) and os.path.getsize(oldfile) > 0):
shutil.move(oldfile, newfile)
DfOutputs = DfOutputs.append({"id" : "output_pendf", "format" : "TEXT", "file" : newfile}, ignore_index=True)
DfMessages = NjoyOutput.from_file(newfile).get_messages()
for filename in os.listdir(mydir):
if filename[:4] == 'tape': os.remove(os.path.join(mydir, filename))
return DfOutputs, DfMessages
def get_pendf(tape, mat=None, pendftape=None, tag=None,
err=0.001, errmax=None,
temperatures=[293.6], dilutions = [1E10],
partial_kermas = [302, 303, 304, 318, 402, 442, 443, 444, 445, 446, 447]
broadr=True, thermr=True, purr=True,
unresr=False, heatr=False, gaspr=False
**kwargs):
""" Run NJOY sequence to produce a PENDF file.
"""
if mat is None: mat = mat_from_endf(tape)
fname = os.path.split(tape)[1]
if tag is None: tag = fname
mydir = os.path.join(self.wdir, fname)
os.makedirs(mydir, exist_ok=True)
# Build njoy input text
utils.force_symlink(tape, os.path.join(mydir, "tape20"))
text = _moder_input(20, -21)
e, p = 21, 22
text += _reconr_input(-e, -p, mat, self.err)
if broadr:
o = p + 1
text += _broadr_input(-e, -p, -o, mat, temperatures, err)
p = o
if thermr:
o = p + 1
text += _thermr_input(0, -p, -o, mat, temperatures)
p = o
if unresr:
o = p + 1
text += _unresr_input(-e, -p, -o, mat, temperatures, dilutions)
p = o