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Paul Romano 2017-07-31 08:18:55 -05:00
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190
docs/source/capi/index.rst
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@ -8,17 +8,28 @@ C API
Run a stochastic volume calculation
.. c:function:: int openmc_cell_set_temperature(int id, double T, int* instance)
.. c:function:: int openmc_cell_get_id(int32_t index, int32_t* id)
Get the ID of a cell
:param index: Index in the cells array
:type index: int32_t
:param id: ID of the cell
:type id: int32_t*
:return: Return status (negative if an error occurred)
:rtype: int
.. c:function:: int openmc_cell_set_temperature(index index, double T, int32_t* instance)
Set the temperature of a cell.
:param id: ID of the cell
:type id: int
:param index: Index in the cells array
:type index: int32_t
:param T: Temperature in Kelvin
:type T: double
:param instance: Which instance of the cell. To set the temperature for all
instances, pass a null pointer.
:type instance: int*
:type instance: int32_t*
:return: Return status (negative if an error occurred)
:rtype: int
@ -26,7 +37,7 @@ C API
Finalize a simulation
.. c:function:: void openmc_find(double* xyz, int rtype, int* id, int* instance)
.. c:function:: void openmc_find(double* xyz, int rtype, int32_t* id, int32_t* instance)
Determine the ID of the cell/material containing a given point
@ -36,10 +47,65 @@ C API
:type rtype: int
:param id: ID of the cell/material found. If a material is requested and the
point is in a void, the ID is 0. If an error occurs, the ID is -1.
:type id: int
:type id: int32_t*
:param instance: If a cell is repetaed in the geometry, the instance of the
cell that was found and zero otherwise.
:type instance: int
:type instance: int32_t*
.. c:function:: int openmc_get_cell(int32_t id, int32_t* index)
Get the index in the cells array for a cell with a given ID
:param id: ID of the cell
:type id: int32_t
:param index: Index in the cells array
:type index: int32_t*
:return: Return status (negative if an error occurs)
:rtype: int
.. c:function:: int openmc_get_keff(double k_combined[])
:param k_combined: Combined estimate of k-effective
:type k_combined: double[2]
:return: Return status (negative if an error occurs)
:rtype: int
.. c:function:: int openmc_get_nuclide(char name[], int* index)
Get the index in the nuclides array for a nuclide with a given name
:param name: Name of the nuclide
:type name: char[]
:param index: Index in the nuclides array
:type index: int*
:return: Return status (negative if an error occurs)
:rtype: int
.. c:function:: int openmc_get_tally(int32_t id, int32_t* index)
Get the index in the tallies array for a tally with a given ID
:param id: ID of the tally
:type id: int32_t
:param index: Index in the tallies array
:type index: int32_t*
:return: Return status (negative if an error occurs)
:rtype: int
.. c:function:: int openmc_get_material(int32_t id, int32_t* index)
Get the index in the materials array for a material with a given ID
:param id: ID of the material
:type id: int32_t
:param index: Index in the materials array
:type index: int32_t*
:return: Return status (negative if an error occurs)
:rtype: int
.. c:function:: void openmc_hard_reset()
Reset tallies, timers, and pseudo-random number generator state
.. c:function:: void openmc_init(int intracomm)
@ -57,13 +123,13 @@ C API
:return: Return status (negative if an error occurs)
:rtype: int
.. c:function:: int openmc_material_add_nuclide(int id, char name[], double density)
.. c:function:: int openmc_material_add_nuclide(int32_t index, char name[], double density)
Add a nuclide to an existing material. If the nuclide already exists, the
density is overwritten.
:param id: ID of the material
:type id: int
:param index: Index in the materials array
:type index: int32_t
:param name: Name of the nuclide
:type name: char[]
:param density: Density in atom/b-cm
@ -71,28 +137,67 @@ C API
:return: Return status (negative if an error occurs)
:rtype: int
.. c:function:: int openmc_material_get_densities(int id, double* ptr)
.. c:function:: int openmc_material_get_densities(int32_t index, int* nuclides[], double* densities[])
Get an array of nuclide densities for a material.
Get density for each nuclide in a material.
:param id: ID of the material
:type id: int
:param ptr: Pointer to the array of densities
:type ptr: double*
:return: Length of the array
:param index: Index in the materials array
:type index: int32_t
:param nuclides: Pointer to array of nuclide indices
:type nuclides: int**
:param densities: Pointer to the array of densities
:type densities: double**
:param n: Length of the array
:type n: int
:return: Return status (negative if an error occurs)
:rtype: int
.. c:function:: int openmc_material_set_density(int id, double density)
.. c:function:: int openmc_material_get_id(int32_t index, int32_t* id)
Get the ID of a material
:param index: Index in the materials array
:type index: int32_t
:param id: ID of the material
:type id: int32_t*
:return: Return status (negative if an error occurred)
:rtype: int
.. c:function:: int openmc_material_set_density(int32_t index, double density)
Set the density of a material.
:param id: ID of the material
:type id: int
:param index: Index in the materials array
:type index: int32_t
:param density: Density of the material in atom/b-cm
:type density: double
:return: Return status (negative if an error occurs)
:rtype: int
.. c:function:: int openmc_material_set_densities(int32_t, n, char* name[], double density[])
:param index: Index in the materials array
:type index: int32_t
:param n: Length of name/density
:type n: int
:param name: Array of nuclide names
:type name: char**
:param density: Array of densities
:type density: double[]
:return: Return status (negative if an error occurs)
:rtype: int
.. c:function:: int openmc_nuclide_name(int index, char* name[])
Get name of a nuclide
:param index: Index in the nuclides array
:type index: int
:param name: Name of the nuclide
:type name: char**
:return: Return status (negative if an error occurs)
:rtype: int
.. c:function:: void openmc_plot_geometry()
Run plotting mode.
@ -105,13 +210,52 @@ C API
Run a simulation
.. c:function:: void openmc_tally_results(int id, double** ptr, int shape_[3])
.. c:function:: int openmc_tally_get_id(int32_t index, int32_t* id)
Get the ID of a tally
:param index: Index in the tallies array
:type index: int32_t
:param id: ID of the tally
:type id: int32_t*
:return: Return status (negative if an error occurred)
:rtype: int
.. c:function:: int openmc_tally_get_nuclides(int32_t index, int* nuclides[], int* n)
Get nuclides specified in a tally
:param index: Index in the tallies array
:type index: int32_t
:param nuclides: Array of nuclide indices
:type nuclides: int**
:param n: Number of nuclides
:type n: int*
:return: Return status (negative if an error occurred)
:rtype: int
.. c:function:: int openmc_tally_results(int32_t index, double** ptr, int shape_[3])
Get a pointer to tally results array.
:param id: ID of the tally
:type id: int
:param index: Index in the tallies array
:type index: int32_t
:param ptr: Pointer to the results array
:type ptr: double**
:param shape_: Shape of the results array
:type shape_: int[3]
:return: Return status (negative if an error occurred)
:rtype: int
.. c:function:: int openmc_tally_set_nuclides(int32_t index, int n, char* nuclides[])
Set the nuclides for a tally
:param index: Index in the tallies array
:type index: int32_t
:param n: Number of nuclides
:type n: int
:param nuclides: Array of nuclide names
:type nuclides: char**
:return: Return status (negative if an error occurred)
:rtype: int

25
docs/source/pythonapi/capi.rst
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@ -2,16 +2,37 @@
:data:`openmc.capi` -- Python bindings to the C API
---------------------------------------------------
.. automodule:: openmc.capi
Functions
---------
.. autosummary::
:toctree: generated
:nosignatures:
:template: myfunction.rst
openmc.capi.lib_context
openmc.capi.calculate_volumes
openmc.capi.finalize
openmc.capi.find
openmc.capi.hard_reset
openmc.capi.init
openmc.capi.keff
openmc.capi.load_nuclide
openmc.capi.plot_geometry
openmc.capi.reset
openmc.capi.run
openmc.capi.run_in_memory
Classes
-------
.. autosummary::
:toctree: generated
:nosignatures:
:template: myclass.rst
openmc.capi.OpenMCLibrary
openmc.capi.CellView
openmc.capi.MaterialView
openmc.capi.NuclideView
openmc.capi.TallyView

7
openmc/capi/__init__.py
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@ -1,5 +1,5 @@
"""Provides bindings to C functions defined by OpenMC shared library.
"""
This module provides bindings to C functions defined by OpenMC shared library.
When the :mod:`openmc` package is imported, the OpenMC shared library is
automatically loaded. Calls to the OpenMC library can then be via functions or
objects in the :mod:`openmc.capi` subpackage, for example:
@ -136,6 +136,7 @@ def find(xyz, rtype='cell'):
def hard_reset():
"""Reset tallies, timers, and pseudo-random number generator state."""
_dll.openmc_hard_reset()
@ -180,7 +181,7 @@ def plot_geometry():
def reset():
"""Reset tallies"""
"""Reset tallies and timers."""
_dll.openmc_reset()

17
openmc/capi/cell.py
View file

@ -22,6 +22,23 @@ _dll.openmc_get_cell.errcheck = _error_handler
class CellView(object):
"""View of a cell.
This class exposes a cell that is stored internally in the OpenMC solver. To
obtain a view of a cell with a given ID, use the
:data:`openmc.capi.nuclides` mapping.
Parameters
----------
index : int
Index in the `cells` array.
Attributes
----------
id : int
ID of the cell
"""
__instances = WeakValueDictionary()
def __new__(cls, *args):
if args not in cls.__instances:

23
openmc/capi/material.py
View file

@ -7,8 +7,8 @@ from numpy.ctypeslib import as_array
from openmc.capi import _dll, _error_handler, NuclideView
__all__ = ['MaterialView', 'materials']
__all__ = ['MaterialView', 'materials']
# Material functions
_dll.openmc_get_material.argtypes = [c_int32, POINTER(c_int32)]
@ -36,6 +36,27 @@ _dll.openmc_material_set_densities.errcheck = _error_handler
class MaterialView(object):
"""View of a material.
This class exposes a material that is stored internally in the OpenMC
solver. To obtain a view of a material with a given ID, use the
:data:`openmc.capi.materials` mapping.
Parameters
----------
index : int
Index in the `materials` array.
Attributes
----------
id : int
ID of the material
nuclides : list of str
List of nuclides in the material
densities : numpy.ndarray
Array of densities in atom/b-cm
"""
__instances = WeakValueDictionary()
def __new__(cls, *args):
if args not in cls.__instances:

33
openmc/capi/nuclide.py
View file

@ -28,13 +28,30 @@ def load_nuclide(name):
Parameters
----------
name : str
Name of nuclide, e.g. 'U235'
Name of the nuclide, e.g. 'U235'
"""
_dll.openmc_load_nuclide(name.encode())
class NuclideView(object):
"""View of a nuclide.
This class exposes a nuclide that is stored internally in the OpenMC
solver. To obtain a view of a nuclide with a given name, use the
:data:`openmc.capi.nuclides` mapping.
Parameters
----------
index : int
Index in the `nuclides` array.
Attributes
----------
name : str
Name of the nuclide, e.g. 'U235'
"""
__instances = WeakValueDictionary()
def __new__(cls, *args):
if args not in cls.__instances:
@ -47,19 +64,6 @@ class NuclideView(object):
@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)
@ -71,6 +75,7 @@ class NuclideView(object):
class _NuclideMapping(Mapping):
"""Provide mapping from nuclide name to index in nuclides array."""
def __getitem__(self, key):
index = c_int()
_dll.openmc_get_nuclide(key.encode(), index)

29
openmc/capi/tally.py
View file

@ -30,6 +30,27 @@ _dll.openmc_tally_set_nuclides.errcheck = _error_handler
class TallyView(object):
"""View of a tally.
This class exposes a tally that is stored internally in the OpenMC
solver. To obtain a view of a tally with a given ID, use the
:data:`openmc.capi.tallies` mapping.
Parameters
----------
index : int
Index in the `tallys` array.
Attributes
----------
id : int
ID of the tally
nuclides : list of str
List of nuclides to score results for
results : numpy.ndarray
Array of tally results
"""
__instances = WeakValueDictionary()
def __new__(cls, *args):
if args not in cls.__instances:
@ -56,14 +77,6 @@ class TallyView(object):
@property
def results(self):
"""Get tally results array
Returns
-------
numpy.ndarray
Array that exposes the internal tally results array
"""
data = POINTER(c_double)()
shape = (c_int*3)()
_dll.openmc_tally_results(self._index, data, shape)

4
openmc/nuclide.py
View file

@ -11,12 +11,12 @@ class Nuclide(object):
Parameters
----------
name : str
Name of the nuclide, e.g. U235
Name of the nuclide, e.g. 'U235'
Attributes
----------
name : str
Name of the nuclide, e.g. U235
Name of the nuclide, e.g. 'U235'
scattering : 'data' or 'iso-in-lab' or None
The type of angular scattering distribution to use

13
src/api.F90
View file

@ -66,7 +66,7 @@ module openmc_api
contains
!===============================================================================
! OPENMC_CELL_ID returns the ID of a cell
! OPENMC_CELL_GET_ID returns the ID of a cell
!===============================================================================
function openmc_cell_get_id(index, id) result(err) bind(C)
@ -695,9 +695,9 @@ contains
! OPENMC_TALLY_NUCLIDES returns the list of nuclides assigned to a tally
!===============================================================================
function openmc_tally_get_nuclides(index, ptr, n) result(err) bind(C)
function openmc_tally_get_nuclides(index, nuclides, n) result(err) bind(C)
integer(C_INT32_T), value :: index
type(C_PTR), intent(out) :: ptr
type(C_PTR), intent(out) :: nuclides
integer(C_INT), intent(out) :: n
integer(C_INT) :: err
@ -705,7 +705,7 @@ contains
if (index >= 1 .and. index <= size(tallies)) then
associate (t => tallies(index))
if (allocated(t % nuclide_bins)) then
ptr = C_LOC(t % nuclide_bins(1))
nuclides = C_LOC(t % nuclide_bins(1))
n = size(t % nuclide_bins)
err = 0
end if
@ -739,6 +739,11 @@ contains
end if
end function openmc_tally_results
!===============================================================================
! OPENMC_TALLY_SET_NUCLIDES sets the nuclides in the tally which results should
! be scored for
!===============================================================================
function openmc_tally_set_nuclides(index, n, nuclides) result(err) bind(C)
integer(C_INT32_T), value :: index
integer(C_INT), value :: n