mirror of
https://github.com/openmc-dev/openmc.git
synced 2026-07-27 13:45:36 -04:00
Get rid of OpenMCLibrary object and make all methods regular functions
This commit is contained in:
Paul Romano
parent
25e585881f
commit
a33502e8fa
2 changed files with 324 additions and 325 deletions
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@ -27,6 +27,6 @@ from openmc.particle_restart import *
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from openmc.mixin import *
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from openmc.plotter import *
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from openmc.search import *
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from openmc.capi import *
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import openmc.capi
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__version__ = '0.9.0'
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647
openmc/capi.py
647
openmc/capi.py
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@ -1,3 +1,15 @@
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"""Provides bindings to C functions defined by OpenMC shared library.
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When the :mod:`openmc` package is imported, the OpenMC shared library is
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automatically loaded. Calls to the OpenMC library can then be made, for example:
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.. code-block:: python
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openmc.capi.init()
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openmc.capi.run()
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"""
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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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@ -5,11 +17,8 @@ from warnings import warn
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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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__all__ = ['OpenMCLibrary', 'lib', 'lib_context']
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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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@ -22,7 +31,7 @@ class GeometryError(Exception):
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def _error_code(s):
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"""Get error code corresponding to global constant."""
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return c_int.in_dll(lib._dll, s).value
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return c_int.in_dll(_dll, s).value
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def _error_handler(err, func, args):
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@ -63,332 +72,70 @@ def _error_handler(err, func, args):
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raise Exception("Unknown error encountered (code {}).".format(err))
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class OpenMCLibrary(object):
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"""Provides bindings to C functions defined by OpenMC shared library.
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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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This class is normally not directly instantiated. Instead, when the
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:mod:`openmc` package is imported, an instance is automatically created with
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the name :data:`openmc.lib`. Calls to the OpenMC can then be made using that
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instance, for example:
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.. code-block:: python
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def cell_set_temperature(cell_id, T, instance=None):
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"""Set the temperature of a cell
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openmc.lib.init()
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openmc.lib.run()
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Parameters
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----------
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cell_id : int
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ID of the cell
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T : float
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Temperature in K
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instance : int or None
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Which instance of the cell
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"""
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def __init__(self, filename):
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self._dll = CDLL(filename)
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_dll.openmc_cell_set_temperature(cell_id, T, instance)
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# Set argument/return types
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self._dll.openmc_calculate_volumes.restype = None
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self._dll.openmc_cell_set_temperature.argtypes = [
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c_int32, c_double, POINTER(c_int32)]
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self._dll.openmc_cell_set_temperature.restype = c_int
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self._dll.openmc_cell_set_temperature.errcheck = _error_handler
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self._dll.openmc_finalize.restype = None
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self._dll.openmc_find.argtypes = [
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POINTER(_double3), c_int, POINTER(c_int32), POINTER(c_int32)]
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self._dll.openmc_find.restype = c_int
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self._dll.openmc_find.errcheck = _error_handler
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self._dll.openmc_init.argtypes = [POINTER(c_int)]
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self._dll.openmc_init.restype = None
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self._dll.openmc_get_keff.argtypes = [POINTER(c_double*2)]
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self._dll.openmc_get_keff.restype = c_int
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self._dll.openmc_get_keff.errcheck = _error_handler
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self._dll.openmc_load_nuclide.argtypes = [c_char_p]
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self._dll.openmc_load_nuclide.restype = c_int
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self._dll.openmc_load_nuclide.errcheck = _error_handler
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# Material interface
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self._dll.openmc_material_add_nuclide.argtypes = [
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c_int32, c_char_p, c_double]
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self._dll.openmc_material_add_nuclide.restype = c_int
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self._dll.openmc_material_add_nuclide.errcheck = _error_handler
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self._dll.openmc_material_get_densities.argtypes = [
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c_int32, _int_array, _double_array, POINTER(c_int)]
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self._dll.openmc_material_get_densities.restype = c_int
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self._dll.openmc_material_get_densities.errcheck = _error_handler
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self._dll.openmc_material_set_density.argtypes = [c_int32, c_double]
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self._dll.openmc_material_set_density.restype = c_int
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self._dll.openmc_material_set_density.errcheck = _error_handler
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self._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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self._dll.openmc_material_set_densities.restype = c_int
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self._dll.openmc_material_set_densities.errcheck = _error_handler
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self._dll.openmc_nuclide_name.argtypes = [c_int, POINTER(c_char_p)]
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self._dll.openmc_nuclide_name.restype = c_int
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self._dll.openmc_nuclide_name.errcheck = _error_handler
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self._dll.openmc_plot_geometry.restype = None
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self._dll.openmc_run.restype = None
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self._dll.openmc_reset.restype = None
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self._dll.openmc_tally_results.argtypes = [
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c_int32, _double_array, POINTER(_int3)]
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self._dll.openmc_tally_results.restype = c_int
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self._dll.openmc_tally_results.errcheck = _error_handler
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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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def calculate_volumes(self):
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"""Run stochastic volume calculation"""
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self._dll.openmc_calculate_volumes()
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def cell_set_temperature(self, cell_id, T, instance=None):
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"""Set the temperature of a cell
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def find(xyz, rtype='cell'):
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"""Find the cell or material at a given point
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Parameters
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----------
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cell_id : int
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ID of the cell
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T : float
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Temperature in K
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instance : int or None
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Which instance of the cell
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Parameters
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----------
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xyz : iterable of float
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Cartesian coordinates of position
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rtype : {'cell', 'material'}
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Whether to return the cell or material ID
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"""
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self._dll.openmc_cell_set_temperature(cell_id, T, instance)
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Returns
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-------
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int or None
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ID of the cell or material. If 'material' is requested and no
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material exists at the given coordinate, None is returned.
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int
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If the cell at the given point is repeated in the geometry, this
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indicates which instance it is, i.e., 0 would be the first instance.
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def finalize(self):
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"""Finalize simulation and free memory"""
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self._dll.openmc_finalize()
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"""
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# Set second argument to openmc_find
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if rtype == 'cell':
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r_int = 1
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elif rtype == 'material':
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r_int = 2
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else:
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raise ValueError('Unknown return type: {}'.format(rtype))
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def find(self, xyz, rtype='cell'):
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"""Find the cell or material at a given point
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# Call openmc_find
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uid = c_int32()
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instance = c_int32()
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_dll.openmc_find(_double3(*xyz), r_int, uid, instance)
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return (uid.value if uid != 0 else None), instance.value
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Parameters
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----------
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xyz : iterable of float
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Cartesian coordinates of position
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rtype : {'cell', 'material'}
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Whether to return the cell or material ID
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Returns
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-------
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int or None
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ID of the cell or material. If 'material' is requested and no
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material exists at the given coordinate, None is returned.
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int
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If the cell at the given point is repeated in the geometry, this
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indicates which instance it is, i.e., 0 would be the first instance.
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"""
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# Set second argument to openmc_find
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if rtype == 'cell':
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r_int = 1
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elif rtype == 'material':
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r_int = 2
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else:
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raise ValueError('Unknown return type: {}'.format(rtype))
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# Call openmc_find
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uid = c_int32()
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instance = c_int32()
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self._dll.openmc_find(_double3(*xyz), r_int, uid, instance)
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return (uid.value if uid != 0 else None), instance.value
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def init(self, intracomm=None):
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"""Initialize OpenMC
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Parameters
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----------
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intracomm : mpi4py.MPI.Intracomm or None
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MPI intracommunicator
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"""
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if intracomm is not None:
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# If an mpi4py communicator was passed, convert it to an integer to
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# be passed to openmc_init
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try:
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intracomm = intracomm.py2f()
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except AttributeError:
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pass
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self._dll.openmc_init(c_int(intracomm))
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else:
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self._dll.openmc_init(None)
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def keff(self):
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"""Return the calculated k-eigenvalue and its standard deviation.
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Returns
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-------
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tuple
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Mean k-eigenvalue and standard deviation of the mean
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"""
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k = (c_double*2)()
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self._dll.openmc_get_keff(k)
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return tuple(k)
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def load_nuclide(self, 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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self._dll.openmc_load_nuclide(name.encode())
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def material_add_nuclide(self, mat_id, 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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mat_id : int
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ID of the material
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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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self._dll.openmc_material_add_nuclide(mat_id, name.encode(), density)
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def material_get_densities(self, mat_id):
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"""Get atom densities in a material.
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Parameters
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----------
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mat_id : int
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ID of the 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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self._dll.openmc_material_get_densities(mat_id, nuclides, densities, n)
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# Convert to appropriate types and return
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nuclide_list = [self.nuclide_name(nuclides[i]) 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 material_set_density(self, mat_id, density):
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"""Set density of a material.
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Parameters
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----------
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mat_id : int
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ID of the material
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density : float
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Density in atom/b-cm
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"""
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self._dll.openmc_material_set_density(mat_id, density)
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def material_set_densities(self, mat_id, 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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mat_id : int
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ID of the material
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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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self._dll.openmc_material_set_densities(mat_id, len(nuclides), nucs, dp)
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def nuclide_name(self, index):
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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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self._dll.openmc_nuclide_name(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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def plot_geometry(self):
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"""Plot geometry"""
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self._dll.openmc_plot_geometry()
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def reset(self):
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"""Reset tallies"""
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self._dll.openmc_reset()
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def run(self):
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"""Run simulation"""
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self._dll.openmc_run()
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def tally_results(self, tally_id):
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"""Get tally results array
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Parameters
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----------
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tally_id : int
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ID of tally
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Returns
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-------
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numpy.ndarray
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Array that exposes the internal tally results array
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"""
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data = POINTER(c_double)()
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shape = _int3()
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self._dll.openmc_tally_results(tally_id, data, shape)
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if data:
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return as_array(data, tuple(shape[::-1]))
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else:
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return None
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def __getattr__(self, key):
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# Fall-back for other functions that may be available from library
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try:
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return getattr(self._dll, 'openmc_{}'.format(key))
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except AttributeError:
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raise AttributeError("OpenMC library doesn't have a '{}' function"
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.format(key))
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@contextmanager
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def lib_context(intracomm=None):
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"""Provides context manager for calling OpenMC shared library functions.
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This function is intended to be used in a 'with' statement and ensures that
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OpenMC is properly initialized/finalized. At the completion of the 'with'
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block, all memory that was allocated during the block is freed. For
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example::
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with openmc.lib_context() as lib:
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for i in range(n_iters):
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lib.reset()
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do_stuff()
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lib.run()
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def init(intracomm=None):
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"""Initialize OpenMC
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Parameters
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----------
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@ -396,24 +143,276 @@ def lib_context(intracomm=None):
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MPI intracommunicator
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"""
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lib.init(comm)
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yield lib
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lib.finalize()
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if intracomm is not None:
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# If an mpi4py communicator was passed, convert it to an integer to
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# be passed to openmc_init
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try:
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intracomm = intracomm.py2f()
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except AttributeError:
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pass
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_dll.openmc_init(c_int(intracomm))
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else:
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_dll.openmc_init(None)
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def keff():
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"""Return the calculated k-eigenvalue and its standard deviation.
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Returns
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-------
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tuple
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Mean k-eigenvalue and standard deviation of the mean
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"""
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k = (c_double*2)()
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_dll.openmc_get_keff(k)
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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 material_add_nuclide(mat_id, 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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mat_id : int
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ID of the material
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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(mat_id, name.encode(), density)
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def material_get_densities(mat_id):
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"""Get atom densities in a material.
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Parameters
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----------
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mat_id : int
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ID of the 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
|
||||
nuclides = POINTER(c_int)()
|
||||
densities = POINTER(c_double)()
|
||||
n = c_int()
|
||||
|
||||
# Get nuclide names and densities
|
||||
_dll.openmc_material_get_densities(mat_id, nuclides, densities, n)
|
||||
|
||||
# Convert to appropriate types and return
|
||||
nuclide_list = [nuclide_name(nuclides[i]) for i in range(n.value)]
|
||||
density_array = as_array(densities, (n.value,))
|
||||
return nuclide_list, density_array
|
||||
|
||||
|
||||
def material_set_density(mat_id, density):
|
||||
"""Set density of a material.
|
||||
|
||||
Parameters
|
||||
----------
|
||||
mat_id : int
|
||||
ID of the material
|
||||
density : float
|
||||
Density in atom/b-cm
|
||||
|
||||
"""
|
||||
_dll.openmc_material_set_density(mat_id, density)
|
||||
|
||||
|
||||
def material_set_densities(mat_id, nuclides, densities):
|
||||
"""Set the densities of a list of nuclides in a material
|
||||
|
||||
Parameters
|
||||
----------
|
||||
mat_id : int
|
||||
ID of the material
|
||||
nuclides : iterable of str
|
||||
Nuclide names
|
||||
densities : iterable of float
|
||||
Corresponding densities in atom/b-cm
|
||||
|
||||
"""
|
||||
# Convert strings to an array of char*
|
||||
nucs = (c_char_p * len(nuclides))()
|
||||
nucs[:] = [x.encode() for x in nuclides]
|
||||
|
||||
# Get numpy array as a double*
|
||||
d = np.asarray(densities)
|
||||
dp = d.ctypes.data_as(POINTER(c_double))
|
||||
|
||||
_dll.openmc_material_set_densities(mat_id, len(nuclides), nucs, dp)
|
||||
|
||||
|
||||
def nuclide_name(index):
|
||||
"""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(index, name)
|
||||
|
||||
# Find blank in name
|
||||
i = 0
|
||||
while name.value[i:i+1] != b' ':
|
||||
i += 1
|
||||
return name.value[:i].decode()
|
||||
|
||||
|
||||
def plot_geometry():
|
||||
"""Plot geometry"""
|
||||
_dll.openmc_plot_geometry()
|
||||
|
||||
|
||||
def reset():
|
||||
"""Reset tallies"""
|
||||
_dll.openmc_reset()
|
||||
|
||||
|
||||
def run():
|
||||
"""Run simulation"""
|
||||
_dll.openmc_run()
|
||||
|
||||
|
||||
def tally_results(tally_id):
|
||||
"""Get tally results array
|
||||
|
||||
Parameters
|
||||
----------
|
||||
tally_id : int
|
||||
ID of tally
|
||||
|
||||
Returns
|
||||
-------
|
||||
numpy.ndarray
|
||||
Array that exposes the internal tally results array
|
||||
|
||||
"""
|
||||
data = POINTER(c_double)()
|
||||
shape = _int3()
|
||||
_dll.openmc_tally_results(tally_id, data, shape)
|
||||
return as_array(data, tuple(shape[::-1]))
|
||||
|
||||
|
||||
@contextmanager
|
||||
def run_in_memory(intracomm=None):
|
||||
"""Provides context manager for calling OpenMC shared library functions.
|
||||
|
||||
This function is intended to be used in a 'with' statement and ensures that
|
||||
OpenMC is properly initialized/finalized. At the completion of the 'with'
|
||||
block, all memory that was allocated during the block is freed. For
|
||||
example::
|
||||
|
||||
with openmc.capi.run_in_memory():
|
||||
for i in range(n_iters):
|
||||
openmc.capi.reset()
|
||||
do_stuff()
|
||||
openmc.capi.run()
|
||||
|
||||
Parameters
|
||||
----------
|
||||
intracomm : mpi4py.MPI.Intracomm or None
|
||||
MPI intracommunicator
|
||||
|
||||
"""
|
||||
init(intracomm)
|
||||
yield
|
||||
finalize()
|
||||
|
||||
|
||||
# Determine shared-library suffix
|
||||
if sys.platform == 'darwin':
|
||||
suffix = 'dylib'
|
||||
_suffix = 'dylib'
|
||||
else:
|
||||
suffix = 'so'
|
||||
_suffix = 'so'
|
||||
|
||||
# Open shared library
|
||||
filename = pkg_resources.resource_filename(
|
||||
__name__, '_libopenmc.{}'.format(suffix))
|
||||
_filename = pkg_resources.resource_filename(
|
||||
__name__, '_libopenmc.{}'.format(_suffix))
|
||||
try:
|
||||
lib = OpenMCLibrary(filename)
|
||||
_dll = CDLL(_filename)
|
||||
_available = True
|
||||
except OSError:
|
||||
warn("OpenMC shared library is not available from the Python API. This "
|
||||
"means you will not be able to use openmc.lib to make in-memory "
|
||||
"means you will not be able to use openmc.capi to make in-memory "
|
||||
"calls to OpenMC.")
|
||||
lib = None
|
||||
_available = False
|
||||
|
||||
if _available:
|
||||
# Set argument/return types
|
||||
_dll.openmc_calculate_volumes.restype = None
|
||||
_dll.openmc_cell_set_temperature.argtypes = [
|
||||
c_int32, c_double, POINTER(c_int32)]
|
||||
_dll.openmc_cell_set_temperature.restype = c_int
|
||||
_dll.openmc_cell_set_temperature.errcheck = _error_handler
|
||||
_dll.openmc_finalize.restype = None
|
||||
_dll.openmc_find.argtypes = [
|
||||
POINTER(_double3), c_int, POINTER(c_int32), POINTER(c_int32)]
|
||||
_dll.openmc_find.restype = c_int
|
||||
_dll.openmc_find.errcheck = _error_handler
|
||||
_dll.openmc_init.argtypes = [POINTER(c_int)]
|
||||
_dll.openmc_init.restype = None
|
||||
_dll.openmc_get_keff.argtypes = [POINTER(c_double*2)]
|
||||
_dll.openmc_get_keff.restype = c_int
|
||||
_dll.openmc_get_keff.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
|
||||
|
||||
# Material interface
|
||||
_dll.openmc_material_add_nuclide.argtypes = [
|
||||
c_int32, c_char_p, c_double]
|
||||
_dll.openmc_material_add_nuclide.restype = c_int
|
||||
_dll.openmc_material_add_nuclide.errcheck = _error_handler
|
||||
_dll.openmc_material_get_densities.argtypes = [
|
||||
c_int32, _int_array, _double_array, POINTER(c_int)]
|
||||
_dll.openmc_material_get_densities.restype = c_int
|
||||
_dll.openmc_material_get_densities.errcheck = _error_handler
|
||||
_dll.openmc_material_set_density.argtypes = [c_int32, c_double]
|
||||
_dll.openmc_material_set_density.restype = c_int
|
||||
_dll.openmc_material_set_density.errcheck = _error_handler
|
||||
_dll.openmc_material_set_densities.argtypes = [
|
||||
c_int32, c_int, POINTER(c_char_p), POINTER(c_double)]
|
||||
_dll.openmc_material_set_densities.restype = c_int
|
||||
_dll.openmc_material_set_densities.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
|
||||
_dll.openmc_plot_geometry.restype = None
|
||||
_dll.openmc_run.restype = None
|
||||
_dll.openmc_reset.restype = None
|
||||
_dll.openmc_tally_results.argtypes = [
|
||||
c_int32, _double_array, POINTER(_int3)]
|
||||
_dll.openmc_tally_results.restype = c_int
|
||||
_dll.openmc_tally_results.errcheck = _error_handler
|
||||
|
|
|
|||
Loading…
Add table
Add a link
Reference in a new issue