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Combine acer, ace arguments to openmc.data.make_ace
Passing ace to make_ace is not supported. Use acer instead. The acer argument now signals if the acer njoy module should be run and where to save the output file. xsdir defaults to None now, rather than "xsdir". This change allows the xsdir file to be written to the same directory as acer, or a user supplied location potentially separate from ace file.
This commit is contained in:
Andrew Johnson
parent
05f33849f5
commit
76adfb231c
3 changed files with 29 additions and 30 deletions
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@ -815,14 +815,13 @@ class IncidentNeutron(EqualityMixin):
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with tempfile.TemporaryDirectory() as tmpdir:
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# Run NJOY to create an ACE library
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kwargs.setdefault("output_dir", tmpdir)
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for key in ("ace", "xsdir", "pendf", "heatr", "broadr",
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"gaspr", "purr"):
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for key in ("acer", "pendf", "heatr", "broadr", "gaspr", "purr"):
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kwargs.setdefault(key, os.path.join(kwargs["output_dir"], key))
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kwargs['evaluation'] = evaluation
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make_ace(filename, temperatures, **kwargs)
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# Create instance from ACE tables within library
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lib = Library(kwargs['ace'])
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lib = Library(kwargs['acer'])
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data = cls.from_ace(lib.tables[0])
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for table in lib.tables[1:]:
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data.add_temperature_from_ace(table)
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@ -4,6 +4,7 @@ import os
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import shutil
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from subprocess import Popen, PIPE, STDOUT, CalledProcessError
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import tempfile
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from pathlib import Path
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from . import endf
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@ -213,14 +214,14 @@ def make_pendf(filename, pendf='pendf', error=0.001, stdout=False):
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heatr=False, purr=False, acer=False, stdout=stdout)
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def make_ace(filename, temperatures=None, ace=None, xsdir=None,
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def make_ace(filename, temperatures=None, acer=True, xsdir=None,
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output_dir=None, pendf=False, error=0.001, broadr=True,
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heatr=True, gaspr=True, purr=True, acer=True, evaluation=None,
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heatr=True, gaspr=True, purr=True, evaluation=None,
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**kwargs):
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"""Generate incident neutron ACE file from an ENDF file
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File names can be passed to
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``[ace, xsdir, pendf, broadr, heatr, gaspr, purr]``
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``[acer, xsdir, pendf, broadr, heatr, gaspr, purr]``
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to specify the exact output for the given module.
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Otherwise, the files will be writen to the current directory
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or directory specified by ``output_dir``. Default file
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@ -235,10 +236,13 @@ def make_ace(filename, temperatures=None, ace=None, xsdir=None,
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temperatures : iterable of float, optional
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Temperatures in Kelvin to produce ACE files at. If omitted, data is
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produced at room temperature (293.6 K).
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ace : str, optional
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Path of ACE file to write. Defaults to ``"ace"``
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acer : bool or str, optional
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Flag indicating if acer should be run. If a string is give, write the
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resulting ``ace`` file to this location. Path of ACE file to write.
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Defaults to ``"ace"``
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xsdir : str, optional
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Path of xsdir file to write. Defaults to ``"xsdir"``
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Path of xsdir file to write. Defaults to ``"xsdir"`` in the same
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directory as ``acer``
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output_dir : str, optional
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Directory to write output for requested modules. If not provided
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and at least one of ``[pendf, broadr, heatr, gaspr, purr, acer]``
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@ -260,8 +264,6 @@ def make_ace(filename, temperatures=None, ace=None, xsdir=None,
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purr : bool or str, optional
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Indicating whether to add probability table when running NJOY.
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If string, write the output tape to this file.
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acer : bool, optional
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Indicating whether to generate ACE file when running NJOY
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evaluation : openmc.data.endf.Evaluation, optional
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If the ENDF file contains multiple material evaluations, this argument
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indicates which evaluation should be used.
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@ -272,13 +274,16 @@ def make_ace(filename, temperatures=None, ace=None, xsdir=None,
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------
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subprocess.CalledProcessError
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If the NJOY process returns with a non-zero status
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IOError
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If ``output_dir`` does not point to a directory
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"""
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if output_dir is None:
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output_dir = os.path.abspath(os.curdir)
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output_dir = Path()
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else:
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assert os.path.isdir(output_dir), output_dir
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output_dir = os.path.abspath(output_dir)
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output_dir = Path(output_dir)
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if not output_dir.is_dir():
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raise IOError("{} is not a directory".format(output_dir))
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ev = evaluation if evaluation is not None else endf.Evaluation(filename)
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mat = ev.material
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@ -299,8 +304,7 @@ def make_ace(filename, temperatures=None, ace=None, xsdir=None,
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tapein = {nendf: filename}
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tapeout = {}
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if pendf:
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tapeout[npendf] = (os.path.join(output_dir, "pendf") if pendf is True
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else pendf)
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tapeout[npendf] = (output_dir / "pendf") if pendf is True else pendf
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# reconr
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commands += _TEMPLATE_RECONR
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@ -309,8 +313,7 @@ def make_ace(filename, temperatures=None, ace=None, xsdir=None,
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# broadr
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if broadr:
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nbroadr = nlast + 1
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tapeout[nbroadr] = (
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os.path.join(output_dir, "broadr") if broadr is True else broadr)
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tapeout[nbroadr] = (output_dir / "broadr") if broadr is True else broadr
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commands += _TEMPLATE_BROADR
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nlast = nbroadr
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@ -318,8 +321,7 @@ def make_ace(filename, temperatures=None, ace=None, xsdir=None,
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if heatr:
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nheatr_in = nlast
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nheatr = nheatr_in + 1
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tapeout[nheatr] = (os.path.join(output_dir, "heatr") if heatr is True
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else heatr)
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tapeout[nheatr] = (output_dir / "heatr") if heatr is True else heatr
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commands += _TEMPLATE_HEATR
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nlast = nheatr
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@ -327,8 +329,7 @@ def make_ace(filename, temperatures=None, ace=None, xsdir=None,
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if gaspr:
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ngaspr_in = nlast
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ngaspr = ngaspr_in + 1
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tapeout[ngaspr] = (os.path.join(output_dir, "gaspr") if gaspr is True
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else gaspr)
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tapeout[ngaspr] = (output_dir / "gaspr") if gaspr is True else gaspr
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commands += _TEMPLATE_GASPR
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nlast = ngaspr
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@ -336,8 +337,7 @@ def make_ace(filename, temperatures=None, ace=None, xsdir=None,
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if purr:
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npurr_in = nlast
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npurr = npurr_in + 1
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tapeout[npurr] = (os.path.join(output_dir, "purr") if purr is True
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else purr)
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tapeout[npurr] = (output_dir / "purr") if purr is True else purr
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commands += _TEMPLATE_PURR
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nlast = npurr
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@ -361,15 +361,15 @@ def make_ace(filename, temperatures=None, ace=None, xsdir=None,
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run(commands, tapein, tapeout, **kwargs)
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if acer:
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ace = os.path.join(output_dir, "ace") if ace is None else ace
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xsdir = os.path.join(output_dir, "xsdir") if xsdir is None else xsdir
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with open(ace, 'w') as ace_file, open(xsdir, 'w') as xsdir_file:
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ace = (output_dir / "ace") if acer is True else Path(acer)
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xsdir = (ace.parent / "xsdir") if xsdir is None else xsdir
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with ace.open('w') as ace_file, xsdir.open('w') as xsdir_file:
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for temperature in temperatures:
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# Get contents of ACE file
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text = open(fname.format("ace", temperature), 'r').read()
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# If the target is metastable, make sure that ZAID in the ACE file reflects
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# this by adding 400
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# If the target is metastable, make sure that ZAID in the ACE
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# file reflects this by adding 400
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if ev.target['isomeric_state'] > 0:
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mass_first_digit = int(text[3])
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if mass_first_digit <= 2:
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@ -481,7 +481,7 @@ def test_ace_convert(run_in_tmpdir):
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filename = os.path.join(_ENDF_DATA, 'neutrons', 'n-001_H_001.endf')
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ace_ascii = 'ace_ascii'
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ace_binary = 'ace_binary'
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openmc.data.njoy.make_ace(filename, ace=ace_ascii)
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openmc.data.njoy.make_ace(filename, acer=ace_ascii)
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# Convert to binary
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openmc.data.ace.ascii_to_binary(ace_ascii, ace_binary)
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