mirror of
https://github.com/openmc-dev/openmc.git
synced 2026-07-28 22:26:08 -04:00
Move material/nuclide related C API bindings into separate files
This commit is contained in:
Paul Romano
parent
d9e1d0d4f6
commit
692765ef4a
3 changed files with 256 additions and 238 deletions
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@ -10,21 +10,36 @@ automatically loaded. Calls to the OpenMC library can then be made, for example:
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"""
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from collections import Mapping
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from contextlib import contextmanager
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from ctypes import CDLL, c_int, c_int32, c_double, c_char_p, POINTER
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import sys
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from warnings import warn
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from weakref import WeakValueDictionary
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import numpy as np
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from numpy.ctypeslib import as_array
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import pkg_resources
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# Determine shared-library suffix
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if sys.platform == 'darwin':
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_suffix = 'dylib'
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else:
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_suffix = 'so'
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# Open shared library
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_filename = pkg_resources.resource_filename(
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__name__, '_libopenmc.{}'.format(_suffix))
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try:
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_dll = CDLL(_filename)
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_available = True
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except OSError:
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warn("OpenMC shared library is not available from the Python API. This "
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"means you will not be able to use openmc.capi to make in-memory "
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"calls to OpenMC.")
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_available = False
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_int3 = c_int*3
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_double3 = c_double*3
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_int_array = POINTER(POINTER(c_int))
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_double_array = POINTER(POINTER(c_double))
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class GeometryError(Exception):
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@ -77,172 +92,6 @@ def _error_handler(err, func, args):
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raise Exception("Unknown error encountered (code {}).".format(err))
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class MaterialView(object):
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__instances = WeakValueDictionary()
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def __new__(cls, *args):
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if args not in cls.__instances:
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instance = super().__new__(cls)
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cls.__instances[args] = instance
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return cls.__instances[args]
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def __init__(self, index):
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self._index = index
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@property
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def id(self):
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mat_id = c_int32()
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_dll.openmc_material_id(self._index, mat_id)
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return mat_id.value
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@property
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def nuclides(self):
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return self._get_densities()[0]
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return nuclides
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@property
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def densities(self):
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return self._get_densities()[1]
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def _get_densities(self):
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"""Get atom densities in a material.
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Returns
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-------
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list of string
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List of nuclide names
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numpy.ndarray
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Array of densities in atom/b-cm
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"""
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# Allocate memory for arguments that are written to
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nuclides = POINTER(c_int)()
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densities = POINTER(c_double)()
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n = c_int()
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# Get nuclide names and densities
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_dll.openmc_material_get_densities(self._index, nuclides, densities, n)
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# Convert to appropriate types and return
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nuclide_list = [NuclideView(nuclides[i]).name for i in range(n.value)]
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density_array = as_array(densities, (n.value,))
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return nuclide_list, density_array
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def add_nuclide(name, density):
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"""Add a nuclide to a material.
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Parameters
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----------
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name : str
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Name of nuclide, e.g. 'U235'
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density : float
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Density in atom/b-cm
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"""
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_dll.openmc_material_add_nuclide(self._index, name.encode(), density)
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def set_density(self, density):
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"""Set density of a material.
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Parameters
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----------
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density : float
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Density in atom/b-cm
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"""
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_dll.openmc_material_set_density(self._index, density)
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def set_densities(self, nuclides, densities):
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"""Set the densities of a list of nuclides in a material
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Parameters
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----------
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nuclides : iterable of str
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Nuclide names
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densities : iterable of float
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Corresponding densities in atom/b-cm
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"""
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# Convert strings to an array of char*
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nucs = (c_char_p * len(nuclides))()
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nucs[:] = [x.encode() for x in nuclides]
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# Get numpy array as a double*
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d = np.asarray(densities)
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dp = d.ctypes.data_as(POINTER(c_double))
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_dll.openmc_material_set_densities(self._index, len(nuclides), nucs, dp)
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class _MaterialMapping(Mapping):
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def __getitem__(self, key):
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index = c_int32()
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_dll.openmc_get_material(key, index)
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return MaterialView(index.value)
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def __iter__(self):
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for i in range(len(self)):
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yield MaterialView(i + 1).id
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def __len__(self):
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return c_int32.in_dll(_dll, 'n_materials').value
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materials = _MaterialMapping()
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class NuclideView(object):
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__instances = WeakValueDictionary()
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def __new__(cls, *args):
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if args not in cls.__instances:
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instance = super().__new__(cls)
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cls.__instances[args] = instance
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return cls.__instances[args]
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def __init__(self, index):
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self._index = index
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@property
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def name(self):
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"""Name of nuclide with given index
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Parameter
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---------
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index : int
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Index in internal nuclides array
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Returns
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-------
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str
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Name of nuclide
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"""
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name = c_char_p()
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_dll.openmc_nuclide_name(self._index, name)
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# Find blank in name
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i = 0
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while name.value[i:i+1] != b' ':
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i += 1
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return name.value[:i].decode()
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class _NuclideMapping(Mapping):
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def __getitem__(self, key):
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index = c_int()
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_dll.openmc_get_nuclide(key.encode(), index)
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return NuclideView(index)
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def __iter__(self):
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for i in range(len(self)):
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yield NuclideView(i + 1).name
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def __len__(self):
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return c_int.in_dll(_dll, 'n_nuclides').value
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nuclides = _NuclideMapping()
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def calculate_volumes():
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"""Run stochastic volume calculation"""
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_dll.openmc_calculate_volumes()
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@ -264,7 +113,6 @@ def cell_set_temperature(cell_id, T, instance=None):
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_dll.openmc_cell_set_temperature(cell_id, T, instance)
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def finalize():
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"""Finalize simulation and free memory"""
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_dll.openmc_finalize()
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@ -340,20 +188,6 @@ def keff():
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return tuple(k)
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def load_nuclide(name):
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"""Load cross section data for a nuclide.
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Parameters
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----------
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name : str
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Name of nuclide, e.g. 'U235'
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"""
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_dll.openmc_load_nuclide(name.encode())
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def plot_geometry():
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"""Plot geometry"""
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_dll.openmc_plot_geometry()
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@ -415,24 +249,6 @@ def run_in_memory(intracomm=None):
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finalize()
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# Determine shared-library suffix
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if sys.platform == 'darwin':
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_suffix = 'dylib'
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else:
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_suffix = 'so'
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# Open shared library
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_filename = pkg_resources.resource_filename(
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__name__, '_libopenmc.{}'.format(_suffix))
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try:
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_dll = CDLL(_filename)
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_available = True
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except OSError:
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warn("OpenMC shared library is not available from the Python API. This "
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"means you will not be able to use openmc.capi to make in-memory "
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"calls to OpenMC.")
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_available = False
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# Set argument/return types
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if _available:
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_dll.openmc_calculate_volumes.restype = None
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@ -453,40 +269,6 @@ if _available:
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_dll.openmc_cell_set_temperature.restype = c_int
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_dll.openmc_cell_set_temperature.errcheck = _error_handler
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# Material functions
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_dll.openmc_get_material.argtypes = [c_int32, POINTER(c_int32)]
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_dll.openmc_get_material.restype = c_int
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_dll.openmc_get_material.errcheck = _error_handler
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_dll.openmc_material_add_nuclide.argtypes = [
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c_int32, c_char_p, c_double]
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_dll.openmc_material_add_nuclide.restype = c_int
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_dll.openmc_material_add_nuclide.errcheck = _error_handler
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_dll.openmc_material_id.argtypes = [c_int32, POINTER(c_int32)]
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_dll.openmc_material_id.restype = c_int
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_dll.openmc_material_id.errcheck = _error_handler
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_dll.openmc_material_get_densities.argtypes = [
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c_int32, _int_array, _double_array, POINTER(c_int)]
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_dll.openmc_material_get_densities.restype = c_int
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_dll.openmc_material_get_densities.errcheck = _error_handler
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_dll.openmc_material_set_density.argtypes = [c_int32, c_double]
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_dll.openmc_material_set_density.restype = c_int
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_dll.openmc_material_set_density.errcheck = _error_handler
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_dll.openmc_material_set_densities.argtypes = [
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c_int32, c_int, POINTER(c_char_p), POINTER(c_double)]
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_dll.openmc_material_set_densities.restype = c_int
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_dll.openmc_material_set_densities.errcheck = _error_handler
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# Nuclide functions
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_dll.openmc_get_nuclide.argtypes = [c_char_p, POINTER(c_int)]
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_dll.openmc_get_nuclide.restype = c_int
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_dll.openmc_get_nuclide.errcheck = _error_handler
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_dll.openmc_load_nuclide.argtypes = [c_char_p]
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_dll.openmc_load_nuclide.restype = c_int
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_dll.openmc_load_nuclide.errcheck = _error_handler
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_dll.openmc_nuclide_name.argtypes = [c_int, POINTER(c_char_p)]
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_dll.openmc_nuclide_name.restype = c_int
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_dll.openmc_nuclide_name.errcheck = _error_handler
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_dll.openmc_plot_geometry.restype = None
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_dll.openmc_run.restype = None
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_dll.openmc_reset.restype = None
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@ -496,3 +278,6 @@ if _available:
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c_int32, _double_array, POINTER(_int3)]
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_dll.openmc_tally_results.restype = c_int
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_dll.openmc_tally_results.errcheck = _error_handler
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from .nuclide import *
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from .material import *
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147
openmc/capi/material.py
Normal file
147
openmc/capi/material.py
Normal file
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@ -0,0 +1,147 @@
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from collections import Mapping
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from ctypes import c_int, c_int32, c_double, c_char_p, POINTER
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from weakref import WeakValueDictionary
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import numpy as np
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from numpy.ctypeslib import as_array
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from openmc.capi import _dll, _error_handler, NuclideView
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__all__ = ['MaterialView', 'materials']
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# Material functions
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_dll.openmc_get_material.argtypes = [c_int32, POINTER(c_int32)]
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_dll.openmc_get_material.restype = c_int
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_dll.openmc_get_material.errcheck = _error_handler
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_dll.openmc_material_add_nuclide.argtypes = [
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c_int32, c_char_p, c_double]
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_dll.openmc_material_add_nuclide.restype = c_int
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_dll.openmc_material_add_nuclide.errcheck = _error_handler
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_dll.openmc_material_id.argtypes = [c_int32, POINTER(c_int32)]
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_dll.openmc_material_id.restype = c_int
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_dll.openmc_material_id.errcheck = _error_handler
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_dll.openmc_material_get_densities.argtypes = [
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c_int32, POINTER(POINTER(c_int)), POINTER(POINTER(c_double)),
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POINTER(c_int)]
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_dll.openmc_material_get_densities.restype = c_int
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_dll.openmc_material_get_densities.errcheck = _error_handler
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_dll.openmc_material_set_density.argtypes = [c_int32, c_double]
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_dll.openmc_material_set_density.restype = c_int
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_dll.openmc_material_set_density.errcheck = _error_handler
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_dll.openmc_material_set_densities.argtypes = [
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c_int32, c_int, POINTER(c_char_p), POINTER(c_double)]
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_dll.openmc_material_set_densities.restype = c_int
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_dll.openmc_material_set_densities.errcheck = _error_handler
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class MaterialView(object):
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__instances = WeakValueDictionary()
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def __new__(cls, *args):
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if args not in cls.__instances:
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instance = super().__new__(cls)
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cls.__instances[args] = instance
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return cls.__instances[args]
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def __init__(self, index):
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self._index = index
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@property
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def id(self):
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mat_id = c_int32()
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_dll.openmc_material_id(self._index, mat_id)
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return mat_id.value
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@property
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def nuclides(self):
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return self._get_densities()[0]
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return nuclides
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@property
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def densities(self):
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return self._get_densities()[1]
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def _get_densities(self):
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"""Get atom densities in a material.
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Returns
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-------
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list of string
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List of nuclide names
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numpy.ndarray
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Array of densities in atom/b-cm
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"""
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# Allocate memory for arguments that are written to
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nuclides = POINTER(c_int)()
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densities = POINTER(c_double)()
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n = c_int()
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# Get nuclide names and densities
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_dll.openmc_material_get_densities(self._index, nuclides, densities, n)
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# Convert to appropriate types and return
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nuclide_list = [NuclideView(nuclides[i]).name for i in range(n.value)]
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density_array = as_array(densities, (n.value,))
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return nuclide_list, density_array
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def add_nuclide(name, density):
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"""Add a nuclide to a material.
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Parameters
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----------
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name : str
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Name of nuclide, e.g. 'U235'
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density : float
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Density in atom/b-cm
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"""
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_dll.openmc_material_add_nuclide(self._index, name.encode(), density)
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def set_density(self, density):
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"""Set density of a material.
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Parameters
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----------
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density : float
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Density in atom/b-cm
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"""
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_dll.openmc_material_set_density(self._index, density)
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def set_densities(self, nuclides, densities):
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"""Set the densities of a list of nuclides in a material
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Parameters
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----------
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nuclides : iterable of str
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Nuclide names
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densities : iterable of float
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Corresponding densities in atom/b-cm
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"""
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# Convert strings to an array of char*
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nucs = (c_char_p * len(nuclides))()
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nucs[:] = [x.encode() for x in nuclides]
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# Get numpy array as a double*
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d = np.asarray(densities)
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dp = d.ctypes.data_as(POINTER(c_double))
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_dll.openmc_material_set_densities(self._index, len(nuclides), nucs, dp)
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class _MaterialMapping(Mapping):
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def __getitem__(self, key):
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index = c_int32()
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_dll.openmc_get_material(key, index)
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return MaterialView(index.value)
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def __iter__(self):
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for i in range(len(self)):
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yield MaterialView(i + 1).id
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def __len__(self):
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return c_int32.in_dll(_dll, 'n_materials').value
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materials = _MaterialMapping()
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86
openmc/capi/nuclide.py
Normal file
86
openmc/capi/nuclide.py
Normal file
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@ -0,0 +1,86 @@
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from collections import Mapping
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from ctypes import c_int, c_char_p, POINTER
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from weakref import WeakValueDictionary
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import numpy as np
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from numpy.ctypeslib import as_array
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from openmc.capi import _dll, _error_handler
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__all__ = ['NuclideView', 'nuclides', 'load_nuclide']
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# Nuclide functions
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_dll.openmc_get_nuclide.argtypes = [c_char_p, POINTER(c_int)]
|
||||
_dll.openmc_get_nuclide.restype = c_int
|
||||
_dll.openmc_get_nuclide.errcheck = _error_handler
|
||||
_dll.openmc_load_nuclide.argtypes = [c_char_p]
|
||||
_dll.openmc_load_nuclide.restype = c_int
|
||||
_dll.openmc_load_nuclide.errcheck = _error_handler
|
||||
_dll.openmc_nuclide_name.argtypes = [c_int, POINTER(c_char_p)]
|
||||
_dll.openmc_nuclide_name.restype = c_int
|
||||
_dll.openmc_nuclide_name.errcheck = _error_handler
|
||||
|
||||
|
||||
def load_nuclide(name):
|
||||
"""Load cross section data for a nuclide.
|
||||
|
||||
Parameters
|
||||
----------
|
||||
name : str
|
||||
Name of nuclide, e.g. 'U235'
|
||||
|
||||
"""
|
||||
_dll.openmc_load_nuclide(name.encode())
|
||||
|
||||
|
||||
class NuclideView(object):
|
||||
__instances = WeakValueDictionary()
|
||||
def __new__(cls, *args):
|
||||
if args not in cls.__instances:
|
||||
instance = super().__new__(cls)
|
||||
cls.__instances[args] = instance
|
||||
return cls.__instances[args]
|
||||
|
||||
def __init__(self, index):
|
||||
self._index = index
|
||||
|
||||
@property
|
||||
def name(self):
|
||||
"""Name of nuclide with given index
|
||||
|
||||
Parameter
|
||||
---------
|
||||
index : int
|
||||
Index in internal nuclides array
|
||||
|
||||
Returns
|
||||
-------
|
||||
str
|
||||
Name of nuclide
|
||||
|
||||
"""
|
||||
name = c_char_p()
|
||||
_dll.openmc_nuclide_name(self._index, name)
|
||||
|
||||
# Find blank in name
|
||||
i = 0
|
||||
while name.value[i:i+1] != b' ':
|
||||
i += 1
|
||||
return name.value[:i].decode()
|
||||
|
||||
|
||||
class _NuclideMapping(Mapping):
|
||||
def __getitem__(self, key):
|
||||
index = c_int()
|
||||
_dll.openmc_get_nuclide(key.encode(), index)
|
||||
return NuclideView(index)
|
||||
|
||||
def __iter__(self):
|
||||
for i in range(len(self)):
|
||||
yield NuclideView(i + 1).name
|
||||
|
||||
def __len__(self):
|
||||
return c_int.in_dll(_dll, 'n_nuclides').value
|
||||
|
||||
nuclides = _NuclideMapping()
|
||||
Loading…
Add table
Add a link
Reference in a new issue