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Refactor ParticleType to use PDG Monte Carlo numbering scheme (#3756)
Co-authored-by: GuySten <62616591+GuySten@users.noreply.github.com> Co-authored-by: Amanda Lund <alund1187@gmail.com>
This commit is contained in:
Paul Romano
GitHub
parent
fc0d9eec65
commit
b41e22f68b
62 changed files with 1401 additions and 558 deletions
125
openmc/source.py
125
openmc/source.py
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@ -1,7 +1,6 @@
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from __future__ import annotations
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from abc import ABC, abstractmethod
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from collections.abc import Iterable, Sequence
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from enum import IntEnum
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from numbers import Real
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from pathlib import Path
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import warnings
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@ -19,6 +18,8 @@ from openmc.stats.multivariate import UnitSphere, Spatial
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from openmc.stats.univariate import Univariate
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from ._xml import get_elem_list, get_text
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from .mesh import MeshBase, StructuredMesh, UnstructuredMesh
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from .particle_type import ParticleType
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from .statepoint import _VERSION_STATEPOINT
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from .utility_funcs import input_path
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@ -265,8 +266,8 @@ class IndependentSource(SourceBase):
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time distribution of source sites
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strength : float
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Strength of the source
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particle : {'neutron', 'photon', 'electron', 'positron'}
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Source particle type
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particle : str or int or openmc.ParticleType
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Source particle type (name, PDG number, or type)
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domains : iterable of openmc.Cell, openmc.Material, or openmc.Universe
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Domains to reject based on, i.e., if a sampled spatial location is not
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within one of these domains, it will be rejected.
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@ -302,10 +303,9 @@ class IndependentSource(SourceBase):
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type : str
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Indicator of source type: 'independent'
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.. versionadded:: 0.14.0
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particle : {'neutron', 'photon', 'electron', 'positron'}
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Source particle type
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.. versionadded:: 0.14.0
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particle : str or int or openmc.ParticleType
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Source particle type (alias, PDG number, or GNDS nuclide name)
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constraints : dict
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Constraints on sampled source particles. Valid keys include
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'domain_type', 'domain_ids', 'time_bounds', 'energy_bounds',
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@ -320,7 +320,7 @@ class IndependentSource(SourceBase):
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energy: openmc.stats.Univariate | None = None,
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time: openmc.stats.Univariate | None = None,
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strength: float = 1.0,
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particle: str = 'neutron',
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particle: str | int | ParticleType = 'neutron',
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domains: Sequence[openmc.Cell | openmc.Material |
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openmc.Universe] | None = None,
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constraints: dict[str, Any] | None = None
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@ -405,14 +405,12 @@ class IndependentSource(SourceBase):
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self._time = time
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@property
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def particle(self):
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def particle(self) -> ParticleType:
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return self._particle
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@particle.setter
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def particle(self, particle):
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cv.check_value('source particle', particle,
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['neutron', 'photon', 'electron', 'positron'])
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self._particle = particle
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self._particle = ParticleType(particle)
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def populate_xml_element(self, element):
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"""Add necessary source information to an XML element
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@ -423,7 +421,7 @@ class IndependentSource(SourceBase):
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XML element containing source data
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"""
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element.set("particle", self.particle)
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element.set("particle", str(self.particle))
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if self.space is not None:
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element.append(self.space.to_xml_element())
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if self.angle is not None:
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@ -898,76 +896,6 @@ class FileSource(SourceBase):
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return cls(**kwargs)
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class ParticleType(IntEnum):
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"""
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IntEnum class representing a particle type. Type
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values mirror those found in the C++ class.
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"""
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NEUTRON = 0
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PHOTON = 1
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ELECTRON = 2
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POSITRON = 3
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@classmethod
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def from_string(cls, value: str):
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"""
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Constructs a ParticleType instance from a string.
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Parameters
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----------
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value : str
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The string representation of the particle type.
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Returns
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-------
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The corresponding ParticleType instance.
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"""
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try:
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return cls[value.upper()]
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except KeyError:
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raise ValueError(
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f"Invalid string for creation of {cls.__name__}: {value}")
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@classmethod
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def from_pdg_number(cls, pdg_number: int) -> ParticleType:
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"""Constructs a ParticleType instance from a PDG number.
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The Particle Data Group at LBNL publishes a Monte Carlo particle
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numbering scheme as part of the `Review of Particle Physics
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<10.1103/PhysRevD.110.030001>`_. This method maps PDG numbers to the
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corresponding :class:`ParticleType`.
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Parameters
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----------
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pdg_number : int
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The PDG number of the particle type.
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Returns
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-------
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The corresponding ParticleType instance.
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"""
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try:
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return {
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2112: ParticleType.NEUTRON,
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22: ParticleType.PHOTON,
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11: ParticleType.ELECTRON,
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-11: ParticleType.POSITRON,
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}[pdg_number]
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except KeyError:
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raise ValueError(f"Unrecognized PDG number: {pdg_number}")
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def __repr__(self) -> str:
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"""
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Returns a string representation of the ParticleType instance.
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Returns:
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str: The lowercase name of the ParticleType instance.
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"""
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return self.name.lower()
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# needed for < Python 3.11
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def __str__(self) -> str:
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return self.__repr__()
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class SourceParticle:
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@ -992,8 +920,8 @@ class SourceParticle:
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Delayed group particle was created in (neutrons only)
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surf_id : int
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Surface ID where particle is at, if any.
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particle : ParticleType
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Type of the particle
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particle : ParticleType or str or int
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Type of the particle (type, name, or PDG number)
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"""
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@ -1006,7 +934,7 @@ class SourceParticle:
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wgt: float = 1.0,
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delayed_group: int = 0,
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surf_id: int = 0,
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particle: ParticleType = ParticleType.NEUTRON
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particle: ParticleType | str | int = ParticleType.NEUTRON
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):
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self.r = tuple(r)
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@ -1018,9 +946,16 @@ class SourceParticle:
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self.surf_id = surf_id
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self.particle = particle
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@property
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def particle(self) -> ParticleType:
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return self._particle
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@particle.setter
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def particle(self, particle):
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self._particle = ParticleType(particle)
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def __repr__(self):
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name = self.particle.name.lower()
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return f'<SourceParticle: {name} at E={self.E:.6e} eV>'
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return f'<SourceParticle: {str(self.particle)} at E={self.E:.6e} eV>'
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def to_tuple(self) -> tuple:
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"""Return source particle attributes as a tuple
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@ -1032,7 +967,7 @@ class SourceParticle:
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"""
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return (self.r, self.u, self.E, self.time, self.wgt,
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self.delayed_group, self.surf_id, self.particle.value)
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self.delayed_group, self.surf_id, self.particle.pdg_number)
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def write_source_file(
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@ -1116,12 +1051,7 @@ class ParticleList(list):
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particles = []
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with mcpl.MCPLFile(filename) as f:
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for particle in f.particles:
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# Determine particle type based on the PDG number
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try:
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particle_type = ParticleType.from_pdg_number(
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particle.pdgcode)
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except ValueError:
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particle_type = "UNKNOWN"
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particle_type = ParticleType(particle.pdgcode)
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# Create a source particle instance. Note that MCPL stores
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# energy in MeV and time in ms.
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@ -1179,7 +1109,7 @@ class ParticleList(list):
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# Extract the attributes of the source particles into a list of tuples
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data = [(sp.r[0], sp.r[1], sp.r[2], sp.u[0], sp.u[1], sp.u[2],
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sp.E, sp.time, sp.wgt, sp.delayed_group, sp.surf_id,
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sp.particle.name.lower()) for sp in self]
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str(sp.particle)) for sp in self]
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# Define the column names for the DataFrame
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columns = ['x', 'y', 'z', 'u_x', 'u_y', 'u_z', 'E', 'time', 'wgt',
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@ -1226,6 +1156,7 @@ class ParticleList(list):
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kwargs.setdefault('mode', 'w')
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with h5py.File(filename, **kwargs) as fh:
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fh.attrs['filetype'] = np.bytes_("source")
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fh.attrs['version'] = np.array([_VERSION_STATEPOINT, 2])
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fh.create_dataset('source_bank', data=arr, dtype=source_dtype)
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@ -1337,7 +1268,7 @@ def read_collision_track_mcpl(file_path):
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data['material_id'].append(int(values_dict.get('material_id', 0)))
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data['universe_id'].append(int(values_dict.get('universe_id', 0)))
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data['n_collision'].append(int(values_dict.get('n_collision', 0)))
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data['particle'].append(ParticleType.from_pdg_number(p.pdgcode))
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data['particle'].append(ParticleType(p.pdgcode))
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data['parent_id'].append(int(values_dict.get('parent_id', 0)))
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data['progeny_id'].append(int(values_dict.get('progeny_id', 0)))
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