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add argument to support printing NJOY input commands

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This commit is contained in:
liangjg 2017-08-01 09:46:49 -04:00
parent ac4b8d752a
commit 3f1416a17c
1 changed files with 18 additions and 12 deletions
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30
openmc/data/njoy.py
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@ -95,7 +95,7 @@ _ACE_TEMPLATE_ACER = """acer /
/
"""
_ACE_TEMPLATE_THERMR = """
_ACE_THERMAL_TEMPLATE_THERMR = """
thermr / %%%%%%%%%%%%%%%% Add thermal scattering data (free gas) %%%%%%%%%%%%%%%
0 {nthermr1_in} {nthermr1}
0 {mat} 12 {num_temp} 1 0 {iform} 1 221 1/
@ -118,7 +118,8 @@ _ACE_THERMAL_TEMPLATE_ACER = """acer /
"""
def run(commands, tapein, tapeout, stdout=False, njoy_exec='njoy'):
def run(commands, tapein, tapeout, print_commands=False, stdout=False,
njoy_exec='njoy'):
"""Run NJOY with given commands
Parameters
@ -129,6 +130,8 @@ def run(commands, tapein, tapeout, stdout=False, njoy_exec='njoy'):
Dictionary mapping tape numbers to paths for any input files
tapeout : dict
Dictionary mapping tape numbers to paths for any output files
print_commands : bool, optional
Whether to display input commands when running NJOY
stdout : bool, optional
Whether to display output when running NJOY
njoy_exec : str, optional
@ -141,6 +144,11 @@ def run(commands, tapein, tapeout, stdout=False, njoy_exec='njoy'):
"""
if print_commands:
# If user requested showing commands, print to screen
print("NJOY INPUTS:")
print(commands)
# Create temporary directory -- it would be preferable to use
# TemporaryDirectory(), but it is only available in Python 3.2
tmpdir = tempfile.mkdtemp()
@ -223,13 +231,13 @@ def make_ace(filename, temperatures=None, ace='ace', xsdir='xsdir', pendf=None,
error : float, optional
Fractional error tolerance for NJOY processing
broadr : bool, optional
Indicating whether to Doppler broaden XS in running NJOY
Indicating whether to Doppler broaden XS when running NJOY
heatr : bool, optional
Indicating whether to add heating kerma in running NJOY
Indicating whether to add heating kerma when running NJOY
purr : bool, optional
Indicating whether to add probability table in running NJOY
Indicating whether to add probability table when running NJOY
acer : bool, optional
Indicating whether to generate ACE file in running NJOY
Indicating whether to generate ACE file when running NJOY
**kwargs
Keyword arguments passed to :func:`openmc.data.njoy.run`
@ -272,14 +280,14 @@ def make_ace(filename, temperatures=None, ace='ace', xsdir='xsdir', pendf=None,
# heatr
if heatr:
nheatr_in = nlast + 1
nheatr_in = nlast
nheatr = nheatr_in + 1
commands += _ACE_TEMPLATE_HEATR
nlast = nheatr
# purr
if purr:
npurr_in = nlast + 1
npurr_in = nlast
npurr = npurr_in + 1
commands += _ACE_TEMPLATE_PURR
nlast = npurr
@ -300,7 +308,6 @@ def make_ace(filename, temperatures=None, ace='ace', xsdir='xsdir', pendf=None,
# Indicate tapes to save for each ACER run
tapeout[nace] = fname.format(ace, temperature)
tapeout[ndir] = fname.format(xsdir, temperature)
commands += 'stop\n'
retcode = run(commands, tapein, tapeout, **kwargs)
@ -431,10 +438,10 @@ def make_ace_thermal(filename, filename_thermal, temperatures=None,
# thermr
nthermr1_in = nlast
nthermr1 = nthermr_in + 1
nthermr1 = nthermr1_in + 1
nthermr2_in = nthermr1
nthermr2 = nthermr2_in + 1
commands += _ACE_TEMPLATE_THERMR
commands += _ACE_THERMAL_TEMPLATE_THERMR
nlast = nthermr2
commands = commands.format(**locals())
@ -452,7 +459,6 @@ def make_ace_thermal(filename, filename_thermal, temperatures=None,
# Indicate tapes to save for each ACER run
tapeout[nace] = fname.format(ace, temperature)
tapeout[ndir] = fname.format(xsdir, temperature)
commands += 'stop\n'
retcode = run(commands, tapein, tapeout, **kwargs)