adding back files to be reviewed

openmc/executor.py

@@ -0,0 +1,212 @@
+from collections.abc import Iterable
+import subprocess
+from numbers import Integral
+
+import openmc
+from openmc import VolumeCalculation
+
+
+def _run(args, output, cwd):
+    # Launch a subprocess
+    p = subprocess.Popen(args, cwd=cwd, stdout=subprocess.PIPE,
+                         stderr=subprocess.STDOUT, universal_newlines=True)
+
+    # Capture and re-print OpenMC output in real-time
+    lines = []
+    while True:
+        # If OpenMC is finished, break loop
+        line = p.stdout.readline()
+        if not line and p.poll() is not None:
+            break
+
+        lines.append(line)
+        if output:
+            # If user requested output, print to screen
+            print(line, end='')
+
+    # Raise an exception if return status is non-zero
+    if p.returncode != 0:
+        raise subprocess.CalledProcessError(p.returncode, ' '.join(args),
+                                            ''.join(lines))
+
+
+def plot_geometry(output=True, openmc_exec='openmc', cwd='.'):
+    """Run OpenMC in plotting mode
+
+    Parameters
+    ----------
+    output : bool, optional
+        Capture OpenMC output from standard out
+    openmc_exec : str, optional
+        Path to OpenMC executable
+    cwd : str, optional
+        Path to working directory to run in
+
+    Raises
+    ------
+    subprocess.CalledProcessError
+        If the `openmc` executable returns a non-zero status
+
+    """
+    _run([openmc_exec, '-p'], output, cwd)
+
+
+def plot_inline(plots, openmc_exec='openmc', cwd='.', convert_exec='convert'):
+    """Display plots inline in a Jupyter notebook.
+
+    This function requires that you have a program installed to convert PPM
+    files to PNG files. Typically, that would be `ImageMagick
+    <https://www.imagemagick.org>`_ which includes a `convert` command.
+
+    Parameters
+    ----------
+    plots : Iterable of openmc.Plot
+        Plots to display
+    openmc_exec : str
+        Path to OpenMC executable
+    cwd : str, optional
+        Path to working directory to run in
+    convert_exec : str, optional
+        Command that can convert PPM files into PNG files
+
+    Raises
+    ------
+    subprocess.CalledProcessError
+        If the `openmc` executable returns a non-zero status
+
+    """
+    from IPython.display import Image, display
+
+    if not isinstance(plots, Iterable):
+        plots = [plots]
+
+    # Create plots.xml
+    openmc.Plots(plots).export_to_xml()
+
+    # Run OpenMC in geometry plotting mode
+    plot_geometry(False, openmc_exec, cwd)
+
+    images = []
+    if plots is not None:
+        for p in plots:
+            if p.filename is not None:
+                ppm_file = '{}.ppm'.format(p.filename)
+            else:
+                ppm_file = 'plot_{}.ppm'.format(p.id)
+            png_file = ppm_file.replace('.ppm', '.png')
+            subprocess.check_call([convert_exec, ppm_file, png_file])
+            images.append(Image(png_file))
+        display(*images)
+
+
+def calculate_volumes(threads=None, output=True, cwd='.',
+                      openmc_exec='openmc', mpi_args=None):
+    """Run stochastic volume calculations in OpenMC.
+
+    This function runs OpenMC in stochastic volume calculation mode. To specify
+    the parameters of a volume calculation, one must first create a
+    :class:`openmc.VolumeCalculation` instance and assign it to
+    :attr:`openmc.Settings.volume_calculations`. For example:
+
+    >>> vol = openmc.VolumeCalculation(domains=[cell1, cell2], samples=100000)
+    >>> settings = openmc.Settings()
+    >>> settings.volume_calculations = [vol]
+    >>> settings.export_to_xml()
+    >>> openmc.calculate_volumes()
+
+    Parameters
+    ----------
+    threads : int, optional
+        Number of OpenMP threads. If OpenMC is compiled with OpenMP threading
+        enabled, the default is implementation-dependent but is usually equal to
+        the number of hardware threads available (or a value set by the
+        :envvar:`OMP_NUM_THREADS` environment variable).
+    output : bool, optional
+        Capture OpenMC output from standard out
+    openmc_exec : str, optional
+        Path to OpenMC executable. Defaults to 'openmc'.
+    mpi_args : list of str, optional
+        MPI execute command and any additional MPI arguments to pass,
+        e.g. ['mpiexec', '-n', '8'].
+    cwd : str, optional
+        Path to working directory to run in. Defaults to the current working
+        directory.
+
+    Raises
+    ------
+    subprocess.CalledProcessError
+        If the `openmc` executable returns a non-zero status
+
+    See Also
+    --------
+    openmc.VolumeCalculation
+
+    """
+    args = [openmc_exec, '--volume']
+
+    if isinstance(threads, Integral) and threads > 0:
+        args += ['-s', str(threads)]
+    if mpi_args is not None:
+        args = mpi_args + args
+
+    _run(args, output, cwd)
+
+
+def run(particles=None, threads=None, geometry_debug=False,
+        restart_file=None, tracks=False, output=True, cwd='.',
+        openmc_exec='openmc', mpi_args=None):
+    """Run an OpenMC simulation.
+
+    Parameters
+    ----------
+    particles : int, optional
+        Number of particles to simulate per generation.
+    threads : int, optional
+        Number of OpenMP threads. If OpenMC is compiled with OpenMP threading
+        enabled, the default is implementation-dependent but is usually equal to
+        the number of hardware threads available (or a value set by the
+        :envvar:`OMP_NUM_THREADS` environment variable).
+    geometry_debug : bool, optional
+        Turn on geometry debugging during simulation. Defaults to False.
+    restart_file : str, optional
+        Path to restart file to use
+    tracks : bool, optional
+        Write tracks for all particles. Defaults to False.
+    output : bool
+        Capture OpenMC output from standard out
+    cwd : str, optional
+        Path to working directory to run in. Defaults to the current working
+        directory.
+    openmc_exec : str, optional
+        Path to OpenMC executable. Defaults to 'openmc'.
+    mpi_args : list of str, optional
+        MPI execute command and any additional MPI arguments to pass,
+        e.g. ['mpiexec', '-n', '8'].
+
+    Raises
+    ------
+    subprocess.CalledProcessError
+        If the `openmc` executable returns a non-zero status
+
+    """
+    args = [openmc_exec]
+
+    if isinstance(particles, Integral) and particles > 0:
+        args += ['-n', str(particles)]
+
+    if isinstance(threads, Integral) and threads > 0:
+        args += ['-s', str(threads)]
+
+    if geometry_debug:
+        args.append('-g')
+
+    if isinstance(restart_file, str):
+        args += ['-r', restart_file]
+
+    if tracks:
+        args.append('-t')
+
+    if mpi_args is not None:
+        args = mpi_args + args
+
+    _run(args, output, cwd)