diff --git a/docs/source/io_formats/track.rst b/docs/source/io_formats/track.rst index c617cd73e3..a97d75e58e 100644 --- a/docs/source/io_formats/track.rst +++ b/docs/source/io_formats/track.rst @@ -4,18 +4,34 @@ Track File Format ================= -The current revision of the particle track file format is 2.0. +The current revision of the particle track file format is 3.0. **/** :Attributes: - **filetype** (*char[]*) -- String indicating the type of file. - **version** (*int[2]*) -- Major and minor version of the track file format. - - **n_particles** (*int*) -- Number of particles for which tracks - are recorded. - - **n_coords** (*int[]*) -- Number of coordinates for each - particle. :Datasets: - - **coordinates_** (*double[][3]*) -- (x,y,z) coordinates for the - *i*-th particle. + - **track___

** (Compound type) -- Particle track information + for source particle in batch *b*, generation *g*, and particle + number *p*. particle. The compound type has fields ``r``, ``u``, + ``E``, ``time``, ``wgt``, ``cell_id``, ``cell_instance``, and + ``material_id``, which represent the position (each coordinate in + [cm]), direction, energy in [eV], time in [s], weight, cell ID, + cell instance, and material ID, respectively. When the particle is + present in a cell with no material assigned, the material ID is + given as -1. Note that this array contains information for one or + more primary/secondary particles originating. The starting index + for each primary/secondary particle is given by the ``offsets`` + attribute. + + :Attributes: - **n_particles** (*int*) -- Number of + primary/secondary particles for the source history. + - **offsets** (*int[]*) Offset (starting index) into + the array for each primary/secondary particle. The + last offset should match the total size of the + array. + - **particles** (*int[]*) -- Particle type for each + primary/secondary particle (0=neutron, 1=photon, + 2=electron, 3=positron). diff --git a/docs/source/pythonapi/base.rst b/docs/source/pythonapi/base.rst index b471d12a86..076b02722b 100644 --- a/docs/source/pythonapi/base.rst +++ b/docs/source/pythonapi/base.rst @@ -185,8 +185,11 @@ Post-processing :template: myclass.rst openmc.Particle + openmc.ParticleTrack openmc.StatePoint openmc.Summary + openmc.Track + openmc.Tracks The following classes and functions are used for functional expansion reconstruction. diff --git a/docs/source/usersguide/scripts.rst b/docs/source/usersguide/scripts.rst index 963e91cf2d..f2ba816052 100644 --- a/docs/source/usersguide/scripts.rst +++ b/docs/source/usersguide/scripts.rst @@ -47,7 +47,7 @@ flags: -r, --restart file Restart a previous run from a state point or a particle restart file -s, --threads N Run with *N* OpenMP threads --t, --track Write tracks for all particles +-t, --track Write tracks for all particles (up to max_tracks) -v, --version Show version information -h, --help Show help message @@ -112,6 +112,19 @@ otherwise. tallies. The path to the statepoint file can be provided as an optional arugment (if omitted, a file dialog will be presented). +.. _scripts_track_combine: + +------------------------ +``openmc-track-combine`` +------------------------ + +This script combines multiple HDF5 :ref:`particle track files +` into a single HDF5 particle track file. The filenames of the +particle track files should be given as posititional arguments. The output +filename can also be changed with the ``-o`` flag: + +-o OUT, --out OUT Output HDF5 particle track file + .. _scripts_track: ----------------------- diff --git a/docs/source/usersguide/settings.rst b/docs/source/usersguide/settings.rst index dabad32bd5..336982ac6e 100644 --- a/docs/source/usersguide/settings.rst +++ b/docs/source/usersguide/settings.rst @@ -514,4 +514,108 @@ As an example, to write a statepoint file every five batches:: settings.batches = n settings.statepoint = {'batches': range(5, n + 5, 5)} -.. _NIST ESTAR database: https://physics.nist.gov/PhysRefData/Star/Text/ESTAR.html +Particle Track Files +-------------------- + +OpenMC can generate a particle track file that contains track information +(position, direction, energy, time, weight, cell ID, and material ID) for each +state along a particle's history. There are two ways to indicate which particles +and/or how many particles should have their tracks written. First, you can +identify specific source particles by their batch, generation, and particle ID +numbers:: + + settings.tracks = [ + (1, 1, 50), + (2, 1, 30), + (5, 1, 75) + ] + +In this example, track information would be written for the 50th particle in the +1st generation of batch 1, the 30th particle in the first generation of batch 2, +and the 75th particle in the 1st generation of batch 5. Unless you are using +more than one generation per batch (see :ref:`usersguide_particles`), the +generation number should be 1. Alternatively, you can run OpenMC in a mode where +track information is written for *all* particles, up to a user-specified limit:: + + openmc.run(tracks=True) + +In this case, you can control the maximum number of source particles for which +tracks will be written as follows:: + + settings.max_tracks = 1000 + +Particle track information is written to the ``tracks.h5`` file, which can be +analyzed using the :class:`~openmc.Tracks` class:: + + >>> tracks = openmc.Tracks('tracks.h5') + >>> tracks + [, + , + ] + +Each :class:`~openmc.Track` object stores a list of track information for every +primary/secondary particle. In the above example, the first source particle +produced 150 secondary particles for a total of 151 particles. Information for +each primary/secondary particle can be accessed using the +:attr:`~openmc.Track.particle_tracks` attribute:: + + >>> first_track = tracks[0] + >>> first_track.particle_tracks + [, + , + , + , + , + ... + , + ] + >>> photon = first_track.particle_tracks[1] + +The :class:`~openmc.ParticleTrack` class is a named tuple indicating the +particle type and then a NumPy array of the "states". The states array is a +compound type with a field for each physical quantity (position, direction, +energy, time, weight, cell ID, and material ID). For example, to get the +position for the above particle track:: + + >>> photon.states['r'] + array([(-11.92987939, -12.28467295, 0.67837495), + (-11.95213726, -12.2682 , 0.68783964), + (-12.2682 , -12.03428339, 0.82223855), + (-12.5913778 , -11.79510096, 0.95966298), + (-12.6622572 , -11.74264344, 0.98980293), + (-12.6907775 , -11.7215357 , 1.00193058)], + dtype=[('x', '>> tracks.filter(particle='photon') + [, + , + ] + +The :meth:`openmc.Tracks.filter` method returns a new :class:`~openmc.Tracks` +instance, whereas the :meth:`openmc.Track.filter` method returns a new +:class:`~openmc.Track` instance. + +.. note:: If you are using an MPI-enabled install of OpenMC and run a simulation + with more than one process, a separate track file will be written for + each MPI process with the filename ``tracks_p#.h5`` where # is the + rank of the corresponding process. Multiple track files can be + combined with the :ref:`scripts_track_combine` script: + + .. code-block:: sh + + openmc-track-combine tracks_p*.h5 --out tracks.h5 diff --git a/include/openmc/constants.h b/include/openmc/constants.h index 8427c2d558..73f96ff956 100644 --- a/include/openmc/constants.h +++ b/include/openmc/constants.h @@ -26,7 +26,7 @@ constexpr int HDF5_VERSION[] {3, 0}; // Version numbers for binary files constexpr array VERSION_STATEPOINT {17, 0}; constexpr array VERSION_PARTICLE_RESTART {2, 0}; -constexpr array VERSION_TRACK {2, 0}; +constexpr array VERSION_TRACK {3, 0}; constexpr array VERSION_SUMMARY {6, 0}; constexpr array VERSION_VOLUME {1, 0}; constexpr array VERSION_VOXEL {2, 0}; diff --git a/include/openmc/particle_data.h b/include/openmc/particle_data.h index ddf072517c..d3d00571a8 100644 --- a/include/openmc/particle_data.h +++ b/include/openmc/particle_data.h @@ -56,6 +56,24 @@ struct SourceSite { int64_t progeny_id; }; +//! State of a particle used for particle track files +struct TrackState { + Position r; //!< Position in [cm] + Direction u; //!< Direction + double E; //!< Energy in [eV] + double time {0.0}; //!< Time in [s] + double wgt {1.0}; //!< Weight + int cell_id; //!< Cell ID + int cell_instance; //!< Cell instance + int material_id {-1}; //!< Material ID (default value indicates void) +}; + +//! Full history of a single particle's track states +struct TrackStateHistory { + ParticleType particle; + std::vector states; +}; + //! Saved ("banked") state of a particle, for nu-fission tallying struct NuBank { double E; //!< particle energy @@ -290,7 +308,7 @@ private: vector filter_matches_; // tally filter matches - vector> tracks_; // tracks for outputting to file + vector tracks_; // tracks for outputting to file vector nu_bank_; // bank of most recently fissioned particles @@ -342,6 +360,9 @@ public: const LocalCoord& coord(int i) const { return coord_[i]; } const vector& coord() const { return coord_; } + LocalCoord& lowest_coord() { return coord_[n_coord_ - 1]; } + const LocalCoord& lowest_coord() const { return coord_[n_coord_ - 1]; } + int& n_coord_last() { return n_coord_last_; } const int& n_coord_last() const { return n_coord_last_; } int& cell_last(int i) { return cell_last_[i]; } @@ -357,6 +378,7 @@ public: const int& g_last() const { return g_last_; } double& wgt() { return wgt_; } + double wgt() const { return wgt_; } double& mu() { return mu_; } const double& mu() const { return mu_; } double& time() { return time_; } @@ -479,6 +501,9 @@ public: n_coord_ = 1; } + //! Get track information based on particle's current state + TrackState get_track_state() const; + void zero_delayed_bank() { for (int& n : n_delayed_bank_) { diff --git a/include/openmc/settings.h b/include/openmc/settings.h index 50be80a506..1e061b235b 100644 --- a/include/openmc/settings.h +++ b/include/openmc/settings.h @@ -88,6 +88,7 @@ extern int max_order; //!< Maximum Legendre order for multigroup data extern int n_log_bins; //!< number of bins for logarithmic energy grid extern int n_batches; //!< number of (inactive+active) batches extern int n_max_batches; //!< Maximum number of batches +extern int max_tracks; //!< Maximum number of particle tracks written to file extern ResScatMethod res_scat_method; //!< resonance upscattering method extern double res_scat_energy_min; //!< Min energy in [eV] for res. upscattering extern double res_scat_energy_max; //!< Max energy in [eV] for res. upscattering diff --git a/include/openmc/track_output.h b/include/openmc/track_output.h index fc65a2eaab..2380fe4405 100644 --- a/include/openmc/track_output.h +++ b/include/openmc/track_output.h @@ -9,8 +9,31 @@ namespace openmc { // Non-member functions //============================================================================== +//! Open HDF5 track file for writing and create track datatype +void open_track_file(); + +//! Close HDF5 resources for track file +void close_track_file(); + +//! Determine whether a given particle should collect/write track information +// +//! \param[in] p Current particle +//! \return Whether to collect/write track information +bool check_track_criteria(const Particle& p); + +//! Create a new track state history for a primary/secondary particle +// +//! \param[in] p Current particle void add_particle_track(Particle& p); + +//! Store particle's current state +// +//! \param[in] p Current particle void write_particle_track(Particle& p); + +//! Write full particle state history to HDF5 track file +// +//! \param[in] p Current particle void finalize_particle_track(Particle& p); } // namespace openmc diff --git a/man/man1/openmc.1 b/man/man1/openmc.1 index 460dbd3588..6310750a25 100644 --- a/man/man1/openmc.1 +++ b/man/man1/openmc.1 @@ -34,7 +34,7 @@ Restart a previous run from a state point or a particle restart file named Use \fIN\fP OpenMP threads. .TP .B "\-t\fR, \fP\-\-track" -Write tracks for all particles. +Write tracks for all particles (up to max_tracks). .TP .B "\-v\fR, \fP\-\-version" Show version information. diff --git a/openmc/__init__.py b/openmc/__init__.py index 0a11fbf53b..e63e9e4d16 100644 --- a/openmc/__init__.py +++ b/openmc/__init__.py @@ -30,6 +30,7 @@ from openmc.mixin import * from openmc.plotter import * from openmc.search import * from openmc.polynomial import * +from openmc.tracks import * from . import examples # Import a few names from the model module diff --git a/openmc/settings.py b/openmc/settings.py index d11a577d16..2d81216599 100644 --- a/openmc/settings.py +++ b/openmc/settings.py @@ -2,6 +2,7 @@ import os import typing # imported separately as py3.8 requires typing.Iterable from collections.abc import Iterable, Mapping, MutableSequence from enum import Enum +import itertools from math import ceil from numbers import Integral, Real from pathlib import Path @@ -104,6 +105,10 @@ class Settings: Maximum number of times a particle can split during a history .. versionadded:: 0.13 + max_tracks : int + Maximum number of tracks written to a track file (per MPI process). + + .. versionadded:: 0.13.1 no_reduce : bool Indicate that all user-defined and global tallies should not be reduced across processes in a parallel calculation. @@ -187,7 +192,7 @@ class Settings: integers: the batch number, generation number, and particle number track : tuple or list Specify particles for which track files should be written. Each particle - is identified by a triplet with the batch number, generation number, and + is identified by a tuple with the batch number, generation number, and particle number. trigger_active : bool Indicate whether tally triggers are used @@ -290,6 +295,7 @@ class Settings: self._weight_windows = cv.CheckedList(WeightWindows, 'weight windows') self._weight_windows_on = None self._max_splits = None + self._max_tracks = None @property def run_mode(self): @@ -475,6 +481,10 @@ class Settings: def max_splits(self): return self._max_splits + @property + def max_tracks(self): + return self._max_tracks + @run_mode.setter def run_mode(self, run_mode: str): cv.check_value('run mode', run_mode, {x.value for x in RunMode}) @@ -776,16 +786,18 @@ class Settings: self._trace = trace @track.setter - def track(self, track: typing.Iterable[int]): - cv.check_type('track', track, Iterable, Integral) - if len(track) % 3 != 0: - msg = f'Unable to set the track to "{track}" since its length is ' \ - 'not a multiple of 3' - raise ValueError(msg) - for t in zip(track[::3], track[1::3], track[2::3]): + def track(self, track: typing.Iterable[typing.Iterable[int]]): + cv.check_type('track', track, Iterable) + for t in track: + if len(t) != 3: + msg = f'Unable to set the track to "{t}" since its length is not 3' + raise ValueError(msg) cv.check_greater_than('track batch', t[0], 0) - cv.check_greater_than('track generation', t[0], 0) - cv.check_greater_than('track particle', t[0], 0) + cv.check_greater_than('track generation', t[1], 0) + cv.check_greater_than('track particle', t[2], 0) + cv.check_type('track batch', t[0], Integral) + cv.check_type('track generation', t[1], Integral) + cv.check_type('track particle', t[2], Integral) self._track = track @ufs_mesh.setter @@ -881,9 +893,15 @@ class Settings: @max_splits.setter def max_splits(self, value: int): cv.check_type('maximum particle splits', value, Integral) - cv.check_greater_than('max particles in flight', value, 0) + cv.check_greater_than('max particle splits', value, 0) self._max_splits = value + @max_tracks.setter + def max_tracks(self, value: int): + cv.check_type('maximum particle tracks', value, Integral) + cv.check_greater_than('maximum particle tracks', value, 0, True) + self._max_tracks = value + def _create_run_mode_subelement(self, root): elem = ET.SubElement(root, "run_mode") elem.text = self._run_mode.value @@ -1110,7 +1128,7 @@ class Settings: def _create_track_subelement(self, root): if self._track is not None: element = ET.SubElement(root, "track") - element.text = ' '.join(map(str, self._track)) + element.text = ' '.join(map(str, itertools.chain(*self._track))) def _create_ufs_mesh_subelement(self, root): if self.ufs_mesh is not None: @@ -1196,6 +1214,11 @@ class Settings: elem = ET.SubElement(root, "max_splits") elem.text = str(self._max_splits) + def _create_max_tracks_subelement(self, root): + if self._max_tracks is not None: + elem = ET.SubElement(root, "max_tracks") + elem.text = str(self._max_tracks) + def _eigenvalue_from_xml_element(self, root): elem = root.find('eigenvalue') if elem is not None: @@ -1424,7 +1447,8 @@ class Settings: def _track_from_xml_element(self, root): text = get_text(root, 'track') if text is not None: - self.track = [int(x) for x in text.split()] + values = [int(x) for x in text.split()] + self.track = list(zip(values[::3], values[1::3], values[2::3])) def _ufs_mesh_from_xml_element(self, root): text = get_text(root, 'ufs_mesh') @@ -1498,6 +1522,11 @@ class Settings: if text is not None: self.max_splits = int(text) + def _max_tracks_from_xml_element(self, root): + text = get_text(root, 'max_tracks') + if text is not None: + self.max_tracks = int(text) + def export_to_xml(self, path: Union[str, os.PathLike] = 'settings.xml'): """Export simulation settings to an XML file. @@ -1554,6 +1583,7 @@ class Settings: self._create_write_initial_source_subelement(root_element) self._create_weight_windows_subelement(root_element) self._create_max_splits_subelement(root_element) + self._create_max_tracks_subelement(root_element) # Clean the indentation in the file to be user-readable clean_indentation(root_element) @@ -1633,6 +1663,7 @@ class Settings: settings._write_initial_source_from_xml_element(root) settings._weight_windows_from_xml_element(root) settings._max_splits_from_xml_element(root) + settings._max_tracks_from_xml_element(root) # TODO: Get volume calculations diff --git a/openmc/source.py b/openmc/source.py index 1abe01f657..bd4c28ba46 100644 --- a/openmc/source.py +++ b/openmc/source.py @@ -298,6 +298,10 @@ class SourceParticle: self.surf_id = surf_id self.particle = particle + def __repr__(self): + name = self.particle.name.lower() + return f'' + def to_tuple(self): """Return source particle attributes as a tuple diff --git a/openmc/tracks.py b/openmc/tracks.py new file mode 100644 index 0000000000..e9097e8eeb --- /dev/null +++ b/openmc/tracks.py @@ -0,0 +1,291 @@ +from collections import namedtuple +from collections.abc import Sequence + +import h5py + +from .checkvalue import check_filetype_version +from .source import SourceParticle, ParticleType + + +ParticleTrack = namedtuple('ParticleTrack', ['particle', 'states']) +ParticleTrack.__doc__ = """\ +Particle track information + +Parameters +---------- +particle : openmc.ParticleType + Type of the particle +states : numpy.ndarray + Structured array containing each state of the particle. The structured array + contains the following fields: ``r`` (position; each direction in [cm]), + ``u`` (direction), ``E`` (energy in [eV]), ``time`` (time in [s]), ``wgt`` + (weight), ``cell_id`` (cell ID) , ``cell_instance`` (cell instance), and + ``material_id`` (material ID). + +""" +def _particle_track_repr(self): + name = self.particle.name.lower() + return f"" +ParticleTrack.__repr__ = _particle_track_repr + + +_VERSION_TRACK = 3 + + +def _identifier(dset_name): + """Return (batch, gen, particle) tuple given dataset name""" + _, batch, gen, particle = dset_name.split('_') + return (int(batch), int(gen), int(particle)) + + +class Track(Sequence): + """Tracks resulting from a single source particle + + This class stores information for all tracks resulting from a primary source + particle and any secondary particles that it created. The track for each + primary/secondary particle is stored in the :attr:`particle_tracks` + attribute. + + Parameters + ---------- + dset : h5py.Dataset + Dataset to read track data from + + Attributes + ---------- + identifier : tuple + Tuple of (batch, generation, particle number) + particle_tracks : list + List of tuples containing (particle type, array of track states) + sources : list + List of :class:`SourceParticle` representing each primary/secondary + particle + + """ + + def __init__(self, dset): + tracks = dset[()] + offsets = dset.attrs['offsets'] + particles = dset.attrs['particles'] + self.identifier = _identifier(dset.name) + + # Construct list of track histories + tracks_list = [] + for particle, start, end in zip(particles, offsets[:-1], offsets[1:]): + ptype = ParticleType(particle) + tracks_list.append(ParticleTrack(ptype, tracks[start:end])) + self.particle_tracks = tracks_list + + def __repr__(self): + return f'' + + def __getitem__(self, index): + return self.particle_tracks[index] + + def __len__(self): + return len(self.particle_tracks) + + def filter(self, particle=None, state_filter=None): + """Filter particle tracks by given criteria + + Parameters + ---------- + particle : {'neutron', 'photon', 'electron', 'positron'} + Matching particle type + state_filter : function + Function that takes a state (structured datatype) and returns a bool + depending on some criteria. + + Returns + ------- + Track + New instance with only matching :class:`openmc.ParticleTrack` objects + + Examples + -------- + Get all particle tracks for photons: + + >>> track.filter(particle='photon') + + Get all particle tracks that entered cell with ID=15: + + >>> track.filter(state_filter=lambda s: s['cell_id'] == 15) + + Get all particle tracks in entered material with ID=2: + + >>> track.filter(state_filter=lambda s: s['material_id'] == 2) + + See Also + -------- + openmc.ParticleTrack + + """ + matching = [] + for t in self: + # Check for matching particle + if particle is not None: + if t.particle.name.lower() != particle: + continue + + # Apply arbitrary state filter + match = True + if state_filter is not None: + for state in t.states: + if state_filter(state): + break + else: + match = False + + if match: + matching.append(t) + + # Return new Track instance with only matching particle tracks + track = type(self).__new__(type(self)) + track.identifier = self.identifier + track.particle_tracks = matching + return track + + def plot(self, axes=None): + """Produce a 3D plot of particle tracks + + Parameters + ---------- + axes : matplotlib.axes.Axes, optional + Axes for plot + + Returns + ------- + axes : matplotlib.axes.Axes + Axes for plot + + """ + import matplotlib.pyplot as plt + + # Setup axes is one wasn't passed + if axes is None: + fig = plt.figure() + ax = plt.axes(projection='3d') + ax.set_xlabel('x [cm]') + ax.set_ylabel('y [cm]') + ax.set_zlabel('z [cm]') + else: + ax = axes + + # Plot each particle track + for _, states in self: + r = states['r'] + ax.plot3D(r['x'], r['y'], r['z']) + + return ax + + @property + def sources(self): + sources = [] + for particle_track in self: + particle_type = ParticleType(particle_track.particle) + state = particle_track.states[0] + sources.append( + SourceParticle( + r=state['r'], u=state['u'], E=state['E'], + time=state['time'], wgt=state['wgt'], + particle=particle_type + ) + ) + return sources + + +class Tracks(list): + """Collection of particle tracks + + This class behaves like a list and can be indexed using the normal subscript + notation. Each element in the list is a :class:`openmc.Track` object. + + Parameters + ---------- + filepath : str or pathlib.Path + Path of file to load + + """ + + def __init__(self, filepath='tracks.h5'): + # Read data from track file + with h5py.File(filepath, 'r') as fh: + # Check filetype and version + check_filetype_version(fh, 'track', _VERSION_TRACK) + + for dset_name in sorted(fh, key=_identifier): + dset = fh[dset_name] + self.append(Track(dset)) + + def filter(self, particle=None, state_filter=None): + """Filter tracks by given criteria + + Parameters + ---------- + particle : {'neutron', 'photon', 'electron', 'positron'} + Matching particle type + state_filter : function + Function that takes a state (structured datatype) and returns a bool + depending on some criteria. + + Returns + ------- + Tracks + List of :class:`openmc.Track` objects + + See Also + -------- + openmc.Track.filter + + """ + # Create a new Tracks instance but avoid call to __init__ + matching = type(self).__new__(type(self)) + + # Append matching Track objects + for track in self: + if track.filter(particle, state_filter): + matching.append(track) + return matching + + def plot(self): + """Produce a 3D plot of particle tracks + + Returns + ------- + matplotlib.axes.Axes + Axes for plot + + """ + import matplotlib.pyplot as plt + fig = plt.figure() + ax = plt.axes(projection='3d') + ax.set_xlabel('x [cm]') + ax.set_ylabel('y [cm]') + ax.set_zlabel('z [cm]') + for track in self: + track.plot(ax) + return ax + + @staticmethod + def combine(track_files, path='tracks.h5'): + """Combine multiple track files into a single track file + + Parameters + ---------- + track_files : list of path-like + Paths to track files to combine + path : path-like + Path of combined track file to create + + """ + with h5py.File(path, 'w') as h5_out: + for i, fname in enumerate(track_files): + with h5py.File(fname, 'r') as h5_in: + # Copy file attributes for first file + if i == 0: + h5_out.attrs['filetype'] = h5_in.attrs['filetype'] + h5_out.attrs['version'] = h5_in.attrs['version'] + + # Copy each 'track_*' dataset from input file + for dset in h5_in: + h5_in.copy(dset, h5_out) diff --git a/scripts/openmc-track-combine b/scripts/openmc-track-combine new file mode 100755 index 0000000000..f69f2151c6 --- /dev/null +++ b/scripts/openmc-track-combine @@ -0,0 +1,24 @@ +#!/usr/bin/env python3 + +"""Combine multiple HDF5 particle track files.""" + +import argparse + +import openmc + + +def main(): + # Parse command-line arguments + parser = argparse.ArgumentParser( + description='Combine particle track files into a single .h5 file.') + parser.add_argument('input', metavar='IN', nargs='+', + help='Input HDF5 particle track filename(s).') + parser.add_argument('-o', '--out', metavar='OUT', default='tracks.h5', + help='Output HDF5 particle track file.') + + args = parser.parse_args() + openmc.Tracks.combine(args.input, args.out) + + +if __name__ == '__main__': + main() diff --git a/scripts/openmc-track-to-vtk b/scripts/openmc-track-to-vtk index 3c781d19ec..3b3507974c 100755 --- a/scripts/openmc-track-to-vtk +++ b/scripts/openmc-track-to-vtk @@ -4,18 +4,16 @@ """ -import os import argparse -import struct -import h5py +import openmc import vtk def _parse_args(): # Create argument parser. parser = argparse.ArgumentParser( - description='Convert particle track file to a .pvtp file.') + description='Convert particle track file(s) to a .pvtp file.') parser.add_argument('input', metavar='IN', type=str, nargs='+', help='Input particle track data filename(s).') parser.add_argument('-o', '--out', metavar='OUT', type=str, dest='out', @@ -41,25 +39,22 @@ def main(): point_offset = 0 for fname in args.input: # Write coordinate values to points array. - track = h5py.File(fname) - n_particles = track.attrs['n_particles'] - n_coords = track.attrs['n_coords'] - coords = [] - for i in range(n_particles): - coords.append(track['coordinates_' + str(i + 1)][()]) - for j in range(n_coords[i]): - points.InsertNextPoint(coords[i][j,:]) + track_file = openmc.Tracks(fname) + for track in track_file: + for particle in track: + for state in particle.states: + points.InsertNextPoint(state['r']) - for i in range(n_particles): - # Create VTK line and assign points to line. - line = vtk.vtkPolyLine() - line.GetPointIds().SetNumberOfIds(n_coords[i]) - for j in range(n_coords[i]): - line.GetPointIds().SetId(j, point_offset + j) + # Create VTK line and assign points to line. + n = particle.states.size + line = vtk.vtkPolyLine() + line.GetPointIds().SetNumberOfIds(n) + for i in range(n): + line.GetPointIds().SetId(i, point_offset + i) + point_offset += n - # Add line to cell array - cells.InsertNextCell(line) - point_offset += n_coords[i] + # Add line to cell array + cells.InsertNextCell(line) data = vtk.vtkPolyData() data.SetPoints(points) diff --git a/src/finalize.cpp b/src/finalize.cpp index 5bfe8907c9..0c2c62310e 100644 --- a/src/finalize.cpp +++ b/src/finalize.cpp @@ -85,6 +85,7 @@ int openmc_finalize() settings::material_cell_offsets = true; settings::max_particles_in_flight = 100000; settings::max_splits = 1000; + settings::max_tracks = 1000; settings::n_inactive = 0; settings::n_particles = -1; settings::output_summary = true; diff --git a/src/output.cpp b/src/output.cpp index 6565a9e67a..ece475de0f 100644 --- a/src/output.cpp +++ b/src/output.cpp @@ -318,7 +318,8 @@ void print_usage() " -r, --restart Restart a previous run from a state point\n" " or a particle restart file\n" " -s, --threads Number of OpenMP threads\n" - " -t, --track Write tracks for all particles\n" + " -t, --track Write tracks for all particles (up to " + "max_tracks)\n" " -e, --event Run using event-based parallelism\n" " -v, --version Show version information\n" " -h, --help Show this message\n"); diff --git a/src/particle.cpp b/src/particle.cpp index 972ef25759..cb959e14d7 100644 --- a/src/particle.cpp +++ b/src/particle.cpp @@ -337,6 +337,11 @@ void Particle::event_revive_from_secondary() // Check for secondary particles if this particle is dead if (!alive()) { + // Write final position for this particle + if (write_track()) { + write_particle_track(*this); + } + // If no secondary particles, break out of event loop if (secondary_bank().empty()) return; @@ -359,7 +364,6 @@ void Particle::event_death() // Finish particle track output. if (write_track()) { - write_particle_track(*this); finalize_particle_track(*this); } diff --git a/src/particle_data.cpp b/src/particle_data.cpp index 701e6cbc0e..a2be720840 100644 --- a/src/particle_data.cpp +++ b/src/particle_data.cpp @@ -1,6 +1,8 @@ #include "openmc/particle_data.h" +#include "openmc/cell.h" #include "openmc/geometry.h" +#include "openmc/material.h" #include "openmc/nuclide.h" #include "openmc/photon.h" #include "openmc/settings.h" @@ -53,4 +55,20 @@ ParticleData::ParticleData() photon_xs_.resize(data::elements.size()); } +TrackState ParticleData::get_track_state() const +{ + TrackState state; + state.r = this->r(); + state.u = this->u(); + state.E = this->E(); + state.time = this->time(); + state.wgt = this->wgt(); + state.cell_id = model::cells[this->lowest_coord().cell]->id_; + state.cell_instance = this->cell_instance(); + if (this->material() != MATERIAL_VOID) { + state.material_id = model::materials[material()]->id_; + } + return state; +} + } // namespace openmc diff --git a/src/settings.cpp b/src/settings.cpp index e2bce94d71..eb0d4936c7 100644 --- a/src/settings.cpp +++ b/src/settings.cpp @@ -95,6 +95,7 @@ int n_log_bins {8000}; int n_batches; int n_max_batches; int max_splits {1000}; +int max_tracks {1000}; ResScatMethod res_scat_method {ResScatMethod::rvs}; double res_scat_energy_min {0.01}; double res_scat_energy_max {1000.0}; @@ -877,6 +878,10 @@ void read_settings_xml() if (check_for_node(root, "max_splits")) { settings::max_splits = std::stoi(get_node_value(root, "max_splits")); } + + if (check_for_node(root, "max_tracks")) { + settings::max_tracks = std::stoi(get_node_value(root, "max_tracks")); + } } void free_memory_settings() diff --git a/src/simulation.cpp b/src/simulation.cpp index b7f5b58f16..b70535c330 100644 --- a/src/simulation.cpp +++ b/src/simulation.cpp @@ -82,6 +82,11 @@ int openmc_simulation_init() // Allocate source, fission and surface source banks. allocate_banks(); + // Create track file if needed + if (!settings::track_identifiers.empty() || settings::write_all_tracks) { + open_track_file(); + } + // If doing an event-based simulation, intialize the particle buffer // and event queues if (settings::event_based) { @@ -152,6 +157,11 @@ int openmc_simulation_finalize() mat->mat_nuclide_index_.clear(); } + // Close track file if open + if (!settings::track_identifiers.empty() || settings::write_all_tracks) { + close_track_file(); + } + // Increment total number of generations simulation::total_gen += simulation::current_batch * settings::gen_per_batch; @@ -507,18 +517,7 @@ void initialize_history(Particle& p, int64_t index_source) p.trace() = true; // Set particle track. - p.write_track() = false; - if (settings::write_all_tracks) { - p.write_track() = true; - } else if (settings::track_identifiers.size() > 0) { - for (const auto& t : settings::track_identifiers) { - if (simulation::current_batch == t[0] && - simulation::current_gen == t[1] && p.id() == t[2]) { - p.write_track() = true; - break; - } - } - } + p.write_track() = check_track_criteria(p); // Display message if high verbosity or trace is on if (settings::verbosity >= 9 || p.trace()) { diff --git a/src/track_output.cpp b/src/track_output.cpp index 065c2d465c..5c1436de71 100644 --- a/src/track_output.cpp +++ b/src/track_output.cpp @@ -2,6 +2,7 @@ #include "openmc/constants.h" #include "openmc/hdf5_interface.h" +#include "openmc/message_passing.h" #include "openmc/position.h" #include "openmc/settings.h" #include "openmc/simulation.h" @@ -9,6 +10,7 @@ #include "xtensor/xtensor.hpp" #include +#include #include // for size_t #include @@ -19,6 +21,10 @@ namespace openmc { // Global variables //============================================================================== +hid_t track_file; //! HDF5 identifier for track file +hid_t track_dtype; //! HDF5 identifier for track datatype +int n_tracks_written; //! Number of tracks written + //============================================================================== // Non-member functions //============================================================================== @@ -26,45 +32,123 @@ namespace openmc { void add_particle_track(Particle& p) { p.tracks().emplace_back(); + p.tracks().back().particle = p.type(); } void write_particle_track(Particle& p) { - p.tracks().back().push_back(p.r()); + p.tracks().back().states.push_back(p.get_track_state()); +} + +void open_track_file() +{ + // Open file and write filetype/version -- when MPI is enabled and there is + // more than one rank, each rank writes its own file +#ifdef OPENMC_MPI + std::string filename; + if (mpi::n_procs > 1) { + filename = fmt::format("{}tracks_p{}.h5", settings::path_output, mpi::rank); + } else { + filename = fmt::format("{}tracks.h5", settings::path_output); + } +#else + std::string filename = fmt::format("{}tracks.h5", settings::path_output); +#endif + track_file = file_open(filename, 'w'); + write_attribute(track_file, "filetype", "track"); + write_attribute(track_file, "version", VERSION_TRACK); + + // Create compound type for Position + hid_t postype = H5Tcreate(H5T_COMPOUND, sizeof(struct Position)); + H5Tinsert(postype, "x", HOFFSET(Position, x), H5T_NATIVE_DOUBLE); + H5Tinsert(postype, "y", HOFFSET(Position, y), H5T_NATIVE_DOUBLE); + H5Tinsert(postype, "z", HOFFSET(Position, z), H5T_NATIVE_DOUBLE); + + // Create compound type for TrackState + track_dtype = H5Tcreate(H5T_COMPOUND, sizeof(struct TrackState)); + H5Tinsert(track_dtype, "r", HOFFSET(TrackState, r), postype); + H5Tinsert(track_dtype, "u", HOFFSET(TrackState, u), postype); + H5Tinsert(track_dtype, "E", HOFFSET(TrackState, E), H5T_NATIVE_DOUBLE); + H5Tinsert(track_dtype, "time", HOFFSET(TrackState, time), H5T_NATIVE_DOUBLE); + H5Tinsert(track_dtype, "wgt", HOFFSET(TrackState, wgt), H5T_NATIVE_DOUBLE); + H5Tinsert( + track_dtype, "cell_id", HOFFSET(TrackState, cell_id), H5T_NATIVE_INT); + H5Tinsert(track_dtype, "cell_instance", HOFFSET(TrackState, cell_instance), + H5T_NATIVE_INT); + H5Tinsert(track_dtype, "material_id", HOFFSET(TrackState, material_id), + H5T_NATIVE_INT); + H5Tclose(postype); +} + +void close_track_file() +{ + H5Tclose(track_dtype); + file_close(track_file); + + // Reset number of tracks written + n_tracks_written = 0; +} + +bool check_track_criteria(const Particle& p) +{ + if (settings::write_all_tracks) { + // Increment number of tracks written and get previous value + int n; +#pragma omp atomic capture + n = n_tracks_written++; + + // Indicate that track should be written for this particle + return n < settings::max_tracks; + } + + // Check for match from explicit track identifiers + if (settings::track_identifiers.size() > 0) { + for (const auto& t : settings::track_identifiers) { + if (simulation::current_batch == t[0] && + simulation::current_gen == t[1] && p.id() == t[2]) { + return true; + } + } + } + return false; } void finalize_particle_track(Particle& p) { - std::string filename = - fmt::format("{}track_{}_{}_{}.h5", settings::path_output, - simulation::current_batch, simulation::current_gen, p.id()); - // Determine number of coordinates for each particle - vector n_coords; - for (auto& coords : p.tracks()) { - n_coords.push_back(coords.size()); + vector offsets; + vector particles; + vector tracks; + int offset = 0; + for (auto& track_i : p.tracks()) { + offsets.push_back(offset); + particles.push_back(static_cast(track_i.particle)); + offset += track_i.states.size(); + tracks.insert(tracks.end(), track_i.states.begin(), track_i.states.end()); } + offsets.push_back(offset); #pragma omp critical(FinalizeParticleTrack) { - hid_t file_id = file_open(filename, 'w'); - write_attribute(file_id, "filetype", "track"); - write_attribute(file_id, "version", VERSION_TRACK); - write_attribute(file_id, "n_particles", p.tracks().size()); - write_attribute(file_id, "n_coords", n_coords); - for (auto i = 1; i <= p.tracks().size(); ++i) { - const auto& t {p.tracks()[i - 1]}; - size_t n = t.size(); - xt::xtensor data({n, 3}); - for (int j = 0; j < n; ++j) { - data(j, 0) = t[j].x; - data(j, 1) = t[j].y; - data(j, 2) = t[j].z; - } - std::string name = fmt::format("coordinates_{}", i); - write_dataset(file_id, name.c_str(), data); - } - file_close(file_id); + // Create name for dataset + std::string dset_name = fmt::format("track_{}_{}_{}", + simulation::current_batch, simulation::current_gen, p.id()); + + // Write array of TrackState to file + hsize_t dims[] {static_cast(tracks.size())}; + hid_t dspace = H5Screate_simple(1, dims, nullptr); + hid_t dset = H5Dcreate(track_file, dset_name.c_str(), track_dtype, dspace, + H5P_DEFAULT, H5P_DEFAULT, H5P_DEFAULT); + H5Dwrite(dset, track_dtype, H5S_ALL, H5S_ALL, H5P_DEFAULT, tracks.data()); + + // Write attributes + write_attribute(dset, "n_particles", p.tracks().size()); + write_attribute(dset, "offsets", offsets); + write_attribute(dset, "particles", particles); + + // Free resources + H5Dclose(dset); + H5Sclose(dspace); } // Clear particle tracks diff --git a/tests/regression_tests/track_output/results_true.dat b/tests/regression_tests/track_output/results_true.dat index 1d0ca80399..756226d101 100644 --- a/tests/regression_tests/track_output/results_true.dat +++ b/tests/regression_tests/track_output/results_true.dat @@ -1,9 +1,266 @@ - - - - - - - - - +ParticleType.NEUTRON [((-9.663085e-01, -6.616522e-01, -9.863690e-01), (-7.513921e-01, 4.140970e-01, 5.137447e-01), 5.293873e+06, 0.000000e+00, 1.000000e+00, 23, 2403, 1) + ((-1.281491e+00, -4.879529e-01, -7.708709e-01), (-7.513921e-01, 4.140970e-01, 5.137447e-01), 5.293873e+06, 1.323629e-10, 1.000000e+00, 22, 2403, 3) + ((-1.368452e+00, -4.400285e-01, -7.114141e-01), (-7.513921e-01, 4.140970e-01, 5.137447e-01), 5.293873e+06, 1.688824e-10, 1.000000e+00, 21, 2403, 2) + ((-2.150539e+00, -9.015151e-03, -1.766823e-01), (-7.513921e-01, 4.140970e-01, 5.137447e-01), 5.293873e+06, 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-5.017666e-01, 6.475970e-01), 9.798082e-02, 7.611330e-05, 1.000000e+00, 23, 2328, 1) + ((9.334809e+00, -9.405021e+00, 8.968164e+00), (5.419546e-03, -7.721039e-01, -6.354732e-01), 1.234091e-01, 7.640240e-05, 1.000000e+00, 23, 2328, 1) + ((9.335117e+00, -9.448857e+00, 8.932084e+00), (5.419546e-03, -7.721039e-01, -6.354732e-01), 1.234091e-01, 7.651925e-05, 1.000000e+00, 22, 2328, 3) + ((9.336345e+00, -9.623801e+00, 8.788098e+00), (5.419546e-03, -7.721039e-01, -6.354732e-01), 1.234091e-01, 7.698556e-05, 1.000000e+00, 21, 2328, 2) + ((9.339070e+00, -1.001201e+01, 8.468584e+00), (5.419546e-03, -7.721039e-01, -6.354732e-01), 1.234091e-01, 7.802034e-05, 1.000000e+00, 22, 2328, 3) + ((9.340298e+00, -1.018696e+01, 8.324598e+00), (5.419546e-03, -7.721039e-01, -6.354732e-01), 1.234091e-01, 7.848665e-05, 1.000000e+00, 23, 2328, 1) + ((9.343193e+00, -1.059945e+01, 7.985097e+00), (1.798796e-01, 3.522536e-02, -9.830577e-01), 1.283272e-01, 7.958616e-05, 1.000000e+00, 23, 2328, 1) + ((9.397753e+00, -1.058877e+01, 7.686922e+00), (6.459563e-01, 7.279465e-03, -7.633397e-01), 1.319449e-01, 8.019832e-05, 1.000000e+00, 23, 2328, 1) + ((9.462343e+00, -1.058804e+01, 7.610595e+00), (-5.748716e-01, 5.760301e-01, -5.811299e-01), 8.880732e-02, 8.039733e-05, 1.000000e+00, 23, 2328, 1) + ((9.287877e+00, -1.041322e+01, 7.434230e+00), (-4.932135e-03, 1.668926e-01, 9.859627e-01), 3.503028e-02, 8.113361e-05, 1.000000e+00, 23, 2328, 1) + ((9.286930e+00, -1.038117e+01, 7.623600e+00), (-9.325544e-02, -9.933000e-01, -6.825369e-02), 3.173764e-02, 8.187553e-05, 1.000000e+00, 23, 2328, 1) + ((9.283901e+00, -1.041342e+01, 7.621384e+00), (-4.235208e-01, -5.129112e-01, 7.466942e-01), 4.258127e-02, 8.200731e-05, 1.000000e+00, 23, 2328, 1) + ((9.264517e+00, -1.043690e+01, 7.655560e+00), (-7.165846e-01, 3.926265e-01, 5.764988e-01), 4.485063e-02, 8.216767e-05, 1.000000e+00, 23, 2328, 1) + ((9.256348e+00, -1.043242e+01, 7.662132e+00), (1.703748e-01, -9.175599e-01, -3.592441e-01), 3.521226e-02, 8.220659e-05, 1.000000e+00, 23, 2328, 1) + ((9.284015e+00, -1.058143e+01, 7.603793e+00), (3.963415e-01, -8.051509e-01, 4.411865e-01), 2.970280e-02, 8.283227e-05, 1.000000e+00, 23, 2328, 1) + ((9.309126e+00, -1.063244e+01, 7.631745e+00), (3.963415e-01, -8.051509e-01, 4.411865e-01), 2.970280e-02, 8.309804e-05, 1.000000e+00, 23, 2313, 1) + ((9.317824e+00, -1.065011e+01, 7.641427e+00), (7.190682e-01, 8.976507e-02, -6.891177e-01), 2.867417e-02, 8.319011e-05, 1.000000e+00, 23, 2313, 1) + ((9.459378e+00, -1.063244e+01, 7.505770e+00), (7.190682e-01, 8.976507e-02, -6.891177e-01), 2.867417e-02, 8.403060e-05, 1.000000e+00, 23, 2328, 1) + ((9.492454e+00, -1.062831e+01, 7.474071e+00), (4.092619e-03, -9.482095e-01, -3.176193e-01), 4.656141e-02, 8.422700e-05, 1.000000e+00, 23, 2328, 1) + ((9.492472e+00, -1.063244e+01, 7.472688e+00), (4.092619e-03, -9.482095e-01, -3.176193e-01), 4.656141e-02, 8.424159e-05, 1.000000e+00, 23, 2313, 1) + ((9.492761e+00, -1.069927e+01, 7.450302e+00), (9.457151e-01, -1.928731e-01, 2.615777e-01), 4.542312e-02, 8.447773e-05, 1.000000e+00, 23, 2313, 1) + ((9.890524e+00, -1.078039e+01, 7.560320e+00), (7.849118e-01, -1.237812e-01, -6.071175e-01), 5.609444e-02, 8.590450e-05, 1.000000e+00, 23, 2313, 1) + ((1.004645e+01, -1.080498e+01, 7.439717e+00), (7.849118e-01, -1.237812e-01, -6.071175e-01), 5.609444e-02, 8.651090e-05, 0.000000e+00, 23, 2313, 1)] diff --git a/tests/regression_tests/track_output/settings.xml b/tests/regression_tests/track_output/settings.xml index 299ee72c53..dcfa118c85 100644 --- a/tests/regression_tests/track_output/settings.xml +++ b/tests/regression_tests/track_output/settings.xml @@ -16,7 +16,8 @@ 1 1 1 - 1 1 2 + 1 1 30 + 2 1 60 diff --git a/tests/regression_tests/track_output/test.py b/tests/regression_tests/track_output/test.py index a5300a4aed..62526117df 100644 --- a/tests/regression_tests/track_output/test.py +++ b/tests/regression_tests/track_output/test.py @@ -1,11 +1,13 @@ import glob import os +from pathlib import Path from subprocess import call -import shutil +import numpy as np +import openmc import pytest -from tests.testing_harness import TestHarness +from tests.testing_harness import TestHarness, config class TrackTestHarness(TestHarness): @@ -13,26 +15,33 @@ class TrackTestHarness(TestHarness): """Make sure statepoint.* and track* have been created.""" TestHarness._test_output_created(self) - outputs = glob.glob('track_1_1_*.h5') - assert len(outputs) == 2, 'Expected two track files.' + if config['mpi'] and int(config['mpi_np']) > 1: + outputs = Path.cwd().glob('tracks_p*.h5') + assert len(list(outputs)) == int(config['mpi_np']) + else: + assert Path('tracks.h5').is_file() def _get_results(self): - """Digest info in the statepoint and return as a string.""" - # Run the track-to-vtk conversion script. - call(['../../../scripts/openmc-track-to-vtk', '-o', 'poly'] + - glob.glob('track_1_1_*.h5')) + """Get data from track file and return as a string.""" - # Make sure the vtk file was created then return it's contents. - assert os.path.isfile('poly.pvtp'), 'poly.pvtp file not found.' + # For MPI mode, combine track files + if config['mpi']: + call(['../../../scripts/openmc-track-combine', '-o', 'tracks.h5'] + + glob.glob('tracks_p*.h5')) - with open('poly.pvtp', 'r') as fin: - outstr = fin.read() + # Get string of track file information + outstr = '' + tracks = openmc.Tracks('tracks.h5') + for track in tracks: + with np.printoptions(formatter={'float_kind': '{:.6e}'.format}): + for ptrack in track: + outstr += f"{ptrack.particle} {ptrack.states}\n" return outstr def _cleanup(self): TestHarness._cleanup(self) - output = glob.glob('track*') + glob.glob('poly*') + output = glob.glob('tracks*') + glob.glob('poly*') for f in output: if os.path.exists(f): os.remove(f) diff --git a/tests/unit_tests/test_settings.py b/tests/unit_tests/test_settings.py index e2c7259e75..b21c036fa1 100644 --- a/tests/unit_tests/test_settings.py +++ b/tests/unit_tests/test_settings.py @@ -14,6 +14,7 @@ def test_export_to_xml(run_in_tmpdir): s.keff_trigger = {'type': 'std_dev', 'threshold': 0.001} s.energy_mode = 'continuous-energy' s.max_order = 5 + s.max_tracks = 1234 s.source = openmc.Source(space=openmc.stats.Point()) s.output = {'summary': True, 'tallies': False, 'path': 'here'} s.verbosity = 7 @@ -42,7 +43,7 @@ def test_export_to_xml(run_in_tmpdir): s.temperature = {'default': 293.6, 'method': 'interpolation', 'multipole': True, 'range': (200., 1000.)} s.trace = (10, 1, 20) - s.track = [1, 1, 1, 2, 1, 1] + s.track = [(1, 1, 1), (2, 1, 1)] s.ufs_mesh = mesh s.resonance_scattering = {'enable': True, 'method': 'rvs', 'energy_min': 1.0, 'energy_max': 1000.0, @@ -71,6 +72,7 @@ def test_export_to_xml(run_in_tmpdir): assert s.keff_trigger == {'type': 'std_dev', 'threshold': 0.001} assert s.energy_mode == 'continuous-energy' assert s.max_order == 5 + assert s.max_tracks == 1234 assert isinstance(s.source[0], openmc.Source) assert isinstance(s.source[0].space, openmc.stats.Point) assert s.output == {'summary': True, 'tallies': False, 'path': 'here'} @@ -99,7 +101,7 @@ def test_export_to_xml(run_in_tmpdir): assert s.temperature == {'default': 293.6, 'method': 'interpolation', 'multipole': True, 'range': [200., 1000.]} assert s.trace == [10, 1, 20] - assert s.track == [1, 1, 1, 2, 1, 1] + assert s.track == [(1, 1, 1), (2, 1, 1)] assert isinstance(s.ufs_mesh, openmc.RegularMesh) assert s.ufs_mesh.lower_left == [-10., -10., -10.] assert s.ufs_mesh.upper_right == [10., 10., 10.] diff --git a/tests/unit_tests/test_tracks.py b/tests/unit_tests/test_tracks.py new file mode 100644 index 0000000000..e18015d81a --- /dev/null +++ b/tests/unit_tests/test_tracks.py @@ -0,0 +1,143 @@ +from pathlib import Path + +import numpy as np +import openmc +import pytest + +from tests.testing_harness import config + + +@pytest.fixture +def sphere_model(): + openmc.reset_auto_ids() + mat = openmc.Material() + mat.add_nuclide('Zr90', 1.0) + mat.set_density('g/cm3', 1.0) + + model = openmc.Model() + sph = openmc.Sphere(r=25.0, boundary_type='vacuum') + cell = openmc.Cell(fill=mat, region=-sph) + model.geometry = openmc.Geometry([cell]) + + model.settings.run_mode = 'fixed source' + model.settings.batches = 2 + model.settings.particles = 50 + + return model + + +def generate_track_file(model, **kwargs): + # If running in MPI mode, setup proper keyword arguments for run() + kwargs.setdefault('openmc_exec', config['exe']) + if config['mpi']: + kwargs['mpi_args'] = [config['mpiexec'], '-n', config['mpi_np']] + model.run(**kwargs) + + if config['mpi'] and int(config['mpi_np']) > 1: + # With MPI, we need to combine track files + track_files = Path.cwd().glob('tracks_p*.h5') + openmc.Tracks.combine(track_files, 'tracks.h5') + else: + track_file = Path('tracks.h5') + assert track_file.is_file() + + +@pytest.mark.parametrize("particle", ["neutron", "photon"]) +def test_tracks(sphere_model, particle, run_in_tmpdir): + # Set track identifiers + sphere_model.settings.track = [(1, 1, 1), (1, 1, 10), (2, 1, 15)] + + # Set source particle + sphere_model.settings.source = openmc.Source(particle=particle) + + # Run OpenMC to generate tracks.h5 file + generate_track_file(sphere_model) + + # Open track file and make sure we have correct number of tracks + tracks = openmc.Tracks('tracks.h5') + assert len(tracks) == len(sphere_model.settings.track) + + for track, identifier in zip(tracks, sphere_model.settings.track): + # Check attributes on Track object + assert isinstance(track, openmc.Track) + assert track.identifier == identifier + assert isinstance(track.particle_tracks, list) + if particle == 'neutron': + assert len(track.particle_tracks) == 1 + + # Check attributes on ParticleTrack object + particle_track = track.particle_tracks[0] + assert isinstance(particle_track, openmc.ParticleTrack) + + assert particle_track.particle.name.lower() == particle + assert isinstance(particle_track.states, np.ndarray) + + # Sanity checks on actual data + for state in particle_track.states: + assert np.linalg.norm([*state['r']]) <= 25.0001 + assert np.linalg.norm([*state['u']]) == pytest.approx(1.0) + assert 0.0 <= state['E'] <= 20.0e6 + assert state['time'] >= 0.0 + assert 0.0 <= state['wgt'] <= 1.0 + assert state['cell_id'] == 1 + assert state['material_id'] == 1 + + # Checks on 'sources' property + sources = track.sources + assert len(sources) == len(track.particle_tracks) + x = sources[0] + state = particle_track.states[0] + assert x.r == (*state['r'],) + assert x.u == (*state['u'],) + assert x.E == state['E'] + assert x.time == state['time'] + assert x.wgt == state['wgt'] + assert x.particle == particle_track.particle + + +def test_max_tracks(sphere_model, run_in_tmpdir): + # Set maximum number of tracks per process to write + sphere_model.settings.max_tracks = expected_num_tracks = 10 + if config['mpi']: + expected_num_tracks *= int(config['mpi_np']) + + # Run OpenMC to generate tracks.h5 file + generate_track_file(sphere_model, tracks=True) + + # Open track file and make sure we have correct number of tracks + tracks = openmc.Tracks('tracks.h5') + assert len(tracks) == expected_num_tracks + + +def test_filter(sphere_model, run_in_tmpdir): + # Set maximum number of tracks per process to write + sphere_model.settings.max_tracks = 25 + sphere_model.settings.photon_transport = True + + # Run OpenMC to generate tracks.h5 file + generate_track_file(sphere_model, tracks=True) + + tracks = openmc.Tracks('tracks.h5') + for track in tracks: + # Test filtering by particle + matches = track.filter(particle='photon') + for x in matches: + assert x.particle == openmc.ParticleType.PHOTON + + # Test general state filter + matches = track.filter(state_filter=lambda s: s['cell_id'] == 1) + assert isinstance(matches, openmc.Track) + assert matches.particle_tracks == track.particle_tracks + matches = track.filter(state_filter=lambda s: s['cell_id'] == 2) + assert matches.particle_tracks == [] + matches = track.filter(state_filter=lambda s: s['E'] < 0.0) + assert matches.particle_tracks == [] + + # Test filter method on Tracks + matches = tracks.filter(particle='neutron') + assert isinstance(matches, openmc.Tracks) + assert matches == tracks + matches = tracks.filter(state_filter=lambda s: s['E'] > 0.0) + assert matches == tracks + matches = tracks.filter(particle='bunnytron') + assert matches == []