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https://github.com/openmc-dev/openmc.git
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Merge pull request #1050 from shikhar413/cmfd-helper
Added C API bindings and bug fix related to CMFD tallies
This commit is contained in:
Paul Romano
GitHub
commit
6d5ab25a2c
8 changed files with 203 additions and 39 deletions
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@ -47,6 +47,7 @@ extern "C" {
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int openmc_get_nuclide_index(const char name[], int* index);
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int64_t openmc_get_seed();
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int openmc_get_tally_index(int32_t id, int32_t* index);
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void openmc_get_tally_next_id(int32_t* id);
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int openmc_hard_reset();
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int openmc_init(int argc, char* argv[], const void* intracomm);
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int openmc_init_f(const int* intracomm);
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@ -94,15 +95,19 @@ extern "C" {
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int openmc_sphharm_filter_set_order(int32_t index, int order);
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int openmc_sphharm_filter_set_cosine(int32_t index, const char cosine[]);
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int openmc_statepoint_write(const char filename[]);
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int openmc_tally_allocate(int32_t index, const char* type);
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int openmc_tally_get_active(int32_t index, bool* active);
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int openmc_tally_get_estimator(int32_t index, int32_t* estimator);
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int openmc_tally_get_id(int32_t index, int32_t* id);
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int openmc_tally_get_filters(int32_t index, int32_t** indices, int* n);
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int openmc_tally_get_n_realizations(int32_t index, int32_t* n);
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int openmc_tally_get_nuclides(int32_t index, int** nuclides, int* n);
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int openmc_tally_get_scores(int32_t index, int** scores, int* n);
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int openmc_tally_get_type(int32_t index, int32_t* type);
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int openmc_tally_reset(int32_t index);
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int openmc_tally_results(int32_t index, double** ptr, int shape_[3]);
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int openmc_tally_set_active(int32_t index, bool active);
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int openmc_tally_set_estimator(int32_t index, const char* estimator);
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int openmc_tally_set_filters(int32_t index, int n, const int32_t* indices);
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int openmc_tally_set_id(int32_t index, int32_t id);
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int openmc_tally_set_nuclides(int32_t index, int n, const char** nuclides);
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@ -26,9 +26,15 @@ _dll.openmc_get_tally_index.errcheck = _error_handler
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_dll.openmc_global_tallies.argtypes = [POINTER(POINTER(c_double))]
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_dll.openmc_global_tallies.restype = c_int
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_dll.openmc_global_tallies.errcheck = _error_handler
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_dll.openmc_tally_allocate.argtypes = [c_int32, c_char_p]
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_dll.openmc_tally_allocate.restype = c_int
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_dll.openmc_tally_allocate.errcheck = _error_handler
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_dll.openmc_tally_get_active.argtypes = [c_int32, POINTER(c_bool)]
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_dll.openmc_tally_get_active.restype = c_int
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_dll.openmc_tally_get_active.errcheck = _error_handler
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_dll.openmc_tally_get_estimator.argtypes = [c_int32, POINTER(c_int32)]
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_dll.openmc_tally_get_estimator.restype = c_int
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_dll.openmc_tally_get_estimator.errcheck = _error_handler
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_dll.openmc_tally_get_id.argtypes = [c_int32, POINTER(c_int32)]
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_dll.openmc_tally_get_id.restype = c_int
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_dll.openmc_tally_get_id.errcheck = _error_handler
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@ -47,6 +53,12 @@ _dll.openmc_tally_get_scores.argtypes = [
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c_int32, POINTER(POINTER(c_int)), POINTER(c_int)]
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_dll.openmc_tally_get_scores.restype = c_int
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_dll.openmc_tally_get_scores.errcheck = _error_handler
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_dll.openmc_tally_get_type.argtypes = [c_int32, POINTER(c_int32)]
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_dll.openmc_tally_get_type.restype = c_int
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_dll.openmc_tally_get_type.errcheck = _error_handler
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_dll.openmc_tally_reset.argtypes = [c_int32]
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_dll.openmc_tally_reset.restype = c_int
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_dll.openmc_tally_reset.errcheck = _error_handler
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_dll.openmc_tally_results.argtypes = [
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c_int32, POINTER(POINTER(c_double)), POINTER(c_int*3)]
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_dll.openmc_tally_results.restype = c_int
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@ -57,6 +69,9 @@ _dll.openmc_tally_set_active.errcheck = _error_handler
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_dll.openmc_tally_set_filters.argtypes = [c_int32, c_int, POINTER(c_int32)]
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_dll.openmc_tally_set_filters.restype = c_int
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_dll.openmc_tally_set_filters.errcheck = _error_handler
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_dll.openmc_tally_set_estimator.argtypes = [c_int32, c_char_p]
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_dll.openmc_tally_set_estimator.restype = c_int
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_dll.openmc_tally_set_estimator.errcheck = _error_handler
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_dll.openmc_tally_set_id.argtypes = [c_int32, c_int32]
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_dll.openmc_tally_set_id.restype = c_int
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_dll.openmc_tally_set_id.errcheck = _error_handler
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@ -78,6 +93,12 @@ _SCORES = {
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-12: 'prompt-nu-fission', -13: 'inverse-velocity', -14: 'fission-q-prompt',
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-15: 'fission-q-recoverable', -16: 'decay-rate'
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}
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_ESTIMATORS = {
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1: 'analog', 2: 'tracklength', 3: 'collision'
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}
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_TALLY_TYPES = {
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1: 'volume', 2: 'mesh-surface', 3: 'surface'
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}
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def global_tallies():
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@ -140,6 +161,8 @@ class Tally(_FortranObjectWithID):
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----------
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id : int
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ID of the tally
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estimator: str
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Estimator type of tally (analog, tracklength, collision)
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filters : list
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List of tally filters
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mean : numpy.ndarray
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@ -152,6 +175,8 @@ class Tally(_FortranObjectWithID):
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Array of tally results
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std_dev : numpy.ndarray
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An array containing the sample standard deviation for each bin
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type : str
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Type of tally (volume, mesh_surface, surface)
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"""
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__instances = WeakValueDictionary()
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@ -170,7 +195,7 @@ class Tally(_FortranObjectWithID):
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index = c_int32()
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_dll.openmc_extend_tallies(1, index, None)
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_dll.openmc_tally_set_type(index, b'generic')
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_dll.openmc_tally_allocate(index, b'generic')
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index = index.value
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else:
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index = mapping[uid]._index
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@ -190,6 +215,26 @@ class Tally(_FortranObjectWithID):
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_dll.openmc_tally_get_active(self._index, active)
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return active.value
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@property
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def type(self):
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type = c_int32()
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_dll.openmc_tally_get_type(self._index, type)
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return _TALLY_TYPES[type.value]
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@type.setter
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def type(self, type):
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_dll.openmc_tally_set_type(self._index, type.encode())
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@property
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def estimator(self):
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estimator = c_int32()
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_dll.openmc_tally_get_estimator(self._index, estimator)
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return _ESTIMATORS[estimator.value]
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@estimator.setter
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def estimator(self, estimator):
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_dll.openmc_tally_set_estimator(self._index, estimator.encode())
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@active.setter
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def active(self, active):
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_dll.openmc_tally_set_active(self._index, active)
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@ -302,6 +347,10 @@ class Tally(_FortranObjectWithID):
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return std_dev
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def reset(self):
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"""Reset results and num_realizations of tally"""
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_dll.openmc_tally_reset(self._index)
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def ci_width(self, alpha=0.05):
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"""Confidence interval half-width based on a Student t distribution
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@ -25,7 +25,7 @@ module openmc_api
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use tally_header
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use tally_filter_header
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use tally_filter
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use tally, only: openmc_tally_set_type
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use tally, only: openmc_tally_allocate
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use simulation
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use string, only: to_f_string
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use timer_header
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@ -60,6 +60,7 @@ module openmc_api
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public :: openmc_get_nuclide_index
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public :: openmc_get_seed
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public :: openmc_get_tally_index
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public :: openmc_get_tally_next_id
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public :: openmc_global_tallies
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public :: openmc_hard_reset
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public :: openmc_init_f
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@ -83,12 +84,16 @@ module openmc_api
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public :: openmc_simulation_init
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public :: openmc_source_bank
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public :: openmc_source_set_strength
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public :: openmc_tally_allocate
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public :: openmc_tally_get_estimator
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public :: openmc_tally_get_id
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public :: openmc_tally_get_filters
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public :: openmc_tally_get_n_realizations
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public :: openmc_tally_get_nuclides
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public :: openmc_tally_get_scores
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public :: openmc_tally_get_type
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public :: openmc_tally_results
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public :: openmc_tally_set_estimator
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public :: openmc_tally_set_filters
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public :: openmc_tally_set_id
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public :: openmc_tally_set_nuclides
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@ -243,7 +243,7 @@ contains
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use error, only: fatal_error, warning
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use mesh_header, only: RegularMesh, openmc_extend_meshes
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use string
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use tally, only: openmc_tally_set_type
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use tally, only: openmc_tally_allocate
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use tally_header, only: openmc_extend_tallies
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use tally_filter_header
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use tally_filter
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@ -262,6 +262,7 @@ contains
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integer(C_INT) :: err
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integer :: i_filt ! index in filters array
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integer :: filt_id
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integer :: tally_id
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integer :: iarray3(3) ! temp integer array
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real(8) :: rarray3(3) ! temp double array
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real(C_DOUBLE), allocatable :: energies(:)
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@ -433,16 +434,13 @@ contains
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! Begin loop around tallies
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do i = 1, size(cmfd_tallies)
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! Allocate tally
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err = openmc_tally_set_type(i_start + i - 1, C_CHAR_'generic' // C_NULL_CHAR)
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err = openmc_tally_allocate(i_start + i - 1, C_CHAR_'generic' // C_NULL_CHAR)
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call openmc_get_tally_next_id(tally_id)
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err = openmc_tally_set_id(i_start + i - 1, tally_id)
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! Point t to tally variable
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associate (t => cmfd_tallies(i) % obj)
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! Set reset property
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if (check_for_node(root, "reset")) then
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call get_node_value(root, "reset", t % reset)
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end if
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! Set the incoming energy mesh filter index in the tally find_filter
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! array
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n_filter = 1
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@ -464,10 +462,10 @@ contains
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t % name = "CMFD flux, total"
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! Set tally estimator to analog
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t % estimator = ESTIMATOR_ANALOG
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err = openmc_tally_set_estimator(i_start + i - 1, C_CHAR_'analog' // C_NULL_CHAR)
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! Set tally type to volume
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t % type = TALLY_VOLUME
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err = openmc_tally_set_type(i_start + i - 1, C_CHAR_'volume' // C_NULL_CHAR)
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! Allocate and set filters
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allocate(filter_indices(n_filter))
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@ -492,10 +490,10 @@ contains
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t % name = "CMFD neutron production"
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! Set tally estimator to analog
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t % estimator = ESTIMATOR_ANALOG
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err = openmc_tally_set_estimator(i_start + i - 1, C_CHAR_'analog' // C_NULL_CHAR)
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! Set tally type to volume
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t % type = TALLY_VOLUME
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err = openmc_tally_set_type(i_start + i - 1, C_CHAR_'volume' // C_NULL_CHAR)
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! Set the incoming energy mesh filter index in the tally find_filter
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! array
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@ -527,7 +525,7 @@ contains
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t % name = "CMFD surface currents"
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! Set tally estimator to analog
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t % estimator = ESTIMATOR_ANALOG
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err = openmc_tally_set_estimator(i_start + i - 1, C_CHAR_'analog' // C_NULL_CHAR)
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! Allocate and set filters
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allocate(filter_indices(n_filter))
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@ -544,17 +542,17 @@ contains
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! Set macro bins
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t % score_bins(1) = SCORE_CURRENT
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t % type = TALLY_MESH_SURFACE
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err = openmc_tally_set_type(i_start + i - 1, C_CHAR_'mesh-surface' // C_NULL_CHAR)
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else if (i == 4) then
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! Set name
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t % name = "CMFD P1 scatter"
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! Set tally estimator to analog
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t % estimator = ESTIMATOR_ANALOG
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err = openmc_tally_set_estimator(i_start + i - 1, C_CHAR_'analog' // C_NULL_CHAR)
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! Set tally type to volume
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t % type = TALLY_VOLUME
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err = openmc_tally_set_type(i_start + i - 1, C_CHAR_'volume' // C_NULL_CHAR)
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! Allocate and set filters
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n_filter = 2
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@ -1918,6 +1918,7 @@ contains
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integer :: k ! another loop index
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integer :: l ! loop over bins
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integer :: filter_id ! user-specified identifier for filter
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integer :: tally_id ! user-specified identifier for filter
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integer :: i_filt ! index in filters array
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integer :: i_elem ! index of entry in dictionary
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integer :: n ! size of arrays in mesh specification
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@ -2116,7 +2117,7 @@ contains
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READ_TALLIES: do i = 1, n
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! Allocate tally
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err = openmc_tally_set_type(i_start + i - 1, &
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err = openmc_tally_allocate(i_start + i - 1, &
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C_CHAR_'generic' // C_NULL_CHAR)
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! Get pointer to tally
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@ -2125,19 +2126,15 @@ contains
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! Get pointer to tally xml node
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node_tal = node_tal_list(i)
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! Copy tally id
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! Copy and set tally id
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if (check_for_node(node_tal, "id")) then
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call get_node_value(node_tal, "id", t % id)
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call get_node_value(node_tal, "id", tally_id)
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err = openmc_tally_set_id(i_start + i - 1, tally_id)
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if (err /= 0) call fatal_error(to_f_string(openmc_err_msg))
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else
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call fatal_error("Must specify id for tally in tally XML file.")
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end if
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! Check to make sure 'id' hasn't been used
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if (tally_dict % has(t % id)) then
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call fatal_error("Two or more tallies use the same unique ID: " &
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// to_str(t % id))
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end if
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! Copy tally name
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if (check_for_node(node_tal, "name")) &
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call get_node_value(node_tal, "name", t % name)
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@ -2837,9 +2834,6 @@ contains
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end select
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end if
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! Add tally to dictionary
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call tally_dict % set(t % id, i)
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end associate
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end do READ_TALLIES
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@ -3931,7 +3931,7 @@ contains
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! C API FUNCTIONS
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!===============================================================================
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function openmc_tally_set_type(index, type) result(err) bind(C)
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function openmc_tally_allocate(index, type) result(err) bind(C)
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! Set the type of the tally
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integer(C_INT32_T), value, intent(in) :: index
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character(kind=C_CHAR), intent(in) :: type(*)
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@ -3964,6 +3964,6 @@ contains
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err = E_OUT_OF_BOUNDS
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call set_errmsg("Index in tallies array is out of bounds.")
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end if
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end function openmc_tally_set_type
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end function openmc_tally_allocate
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end module tally
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@ -22,20 +22,25 @@ module tally_header
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public :: free_memory_tally
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public :: openmc_extend_tallies
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public :: openmc_get_tally_index
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public :: openmc_get_tally_next_id
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public :: openmc_global_tallies
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public :: openmc_tally_get_active
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public :: openmc_tally_get_estimator
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public :: openmc_tally_get_id
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public :: openmc_tally_get_filters
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public :: openmc_tally_get_n_realizations
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public :: openmc_tally_get_nuclides
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public :: openmc_tally_get_scores
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public :: openmc_tally_get_type
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public :: openmc_tally_reset
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public :: openmc_tally_results
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public :: openmc_tally_set_active
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public :: openmc_tally_set_estimator
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public :: openmc_tally_set_filters
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public :: openmc_tally_set_id
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public :: openmc_tally_set_nuclides
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public :: openmc_tally_set_scores
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public :: openmc_tally_set_type
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!===============================================================================
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! TALLYOBJECT describes a user-specified tally. The region of phase space to
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@ -86,9 +91,6 @@ module tally_header
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integer :: total_score_bins
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real(C_DOUBLE), allocatable :: results(:,:,:)
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! reset property - allows a tally to be reset after every batch
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logical :: reset = .false.
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! Number of realizations of tally random variables
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integer :: n_realizations = 0
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@ -118,6 +120,10 @@ module tally_header
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! Dictionary that maps user IDs to indices in 'tallies'
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type(DictIntInt), public :: tally_dict
|
||||
|
||||
! The largest tally ID that has been specified in the system. This is useful
|
||||
! in case the code needs to find an ID for a new tally.
|
||||
integer :: largest_tally_id
|
||||
|
||||
! Global tallies
|
||||
! 1) collision estimate of k-eff
|
||||
! 2) absorption estimate of k-eff
|
||||
|
|
@ -403,6 +409,7 @@ contains
|
|||
n_tallies = 0
|
||||
if (allocated(tallies)) deallocate(tallies)
|
||||
call tally_dict % clear()
|
||||
largest_tally_id = 0
|
||||
|
||||
if (allocated(global_tallies)) deallocate(global_tallies)
|
||||
|
||||
|
|
@ -505,6 +512,22 @@ contains
|
|||
end function openmc_tally_get_active
|
||||
|
||||
|
||||
function openmc_tally_get_estimator(index, estimator) result(err) bind(C)
|
||||
! Return the type of estimator of a tally
|
||||
integer(C_INT32_T), value :: index
|
||||
integer(C_INT32_T), intent(out) :: estimator
|
||||
integer(C_INT) :: err
|
||||
|
||||
if (index >= 1 .and. index <= size(tallies)) then
|
||||
estimator = tallies(index) % obj % estimator
|
||||
err = 0
|
||||
else
|
||||
err = E_OUT_OF_BOUNDS
|
||||
call set_errmsg('Index in tallies array is out of bounds.')
|
||||
end if
|
||||
end function openmc_tally_get_estimator
|
||||
|
||||
|
||||
function openmc_tally_get_id(index, id) result(err) bind(C)
|
||||
! Return the ID of a tally
|
||||
integer(C_INT32_T), value :: index
|
||||
|
|
@ -612,6 +635,22 @@ contains
|
|||
end function openmc_tally_get_scores
|
||||
|
||||
|
||||
function openmc_tally_get_type(index, type) result(err) bind(C)
|
||||
! Return the type of a tally
|
||||
integer(C_INT32_T), value :: index
|
||||
integer(C_INT32_T), intent(out) :: type
|
||||
integer(C_INT) :: err
|
||||
|
||||
if (index >= 1 .and. index <= size(tallies)) then
|
||||
type = tallies(index) % obj % type
|
||||
err = 0
|
||||
else
|
||||
err = E_OUT_OF_BOUNDS
|
||||
call set_errmsg('Index in tallies array is out of bounds.')
|
||||
end if
|
||||
end function openmc_tally_get_type
|
||||
|
||||
|
||||
function openmc_tally_reset(index) result(err) bind(C)
|
||||
! Reset tally results and number of realizations
|
||||
integer(C_INT32_T), intent(in), value :: index
|
||||
|
|
@ -656,6 +695,37 @@ contains
|
|||
end function openmc_tally_results
|
||||
|
||||
|
||||
function openmc_tally_set_estimator(index, estimator) result(err) bind(C)
|
||||
! Set the type of estimator a tally
|
||||
integer(C_INT32_T), value, intent(in) :: index
|
||||
character(kind=C_CHAR), intent(in) :: estimator(*)
|
||||
integer(C_INT) :: err
|
||||
|
||||
character(:), allocatable :: estimator_
|
||||
|
||||
! Convert C string to Fortran string
|
||||
estimator_ = to_f_string(estimator)
|
||||
|
||||
err = 0
|
||||
if (index >= 1 .and. index <= size(tallies)) then
|
||||
select case (estimator_)
|
||||
case ('analog')
|
||||
tallies(index) % obj % estimator = ESTIMATOR_ANALOG
|
||||
case ('tracklength')
|
||||
tallies(index) % obj % estimator = ESTIMATOR_TRACKLENGTH
|
||||
case ('collision')
|
||||
tallies(index) % obj % estimator = ESTIMATOR_COLLISION
|
||||
case default
|
||||
err = E_INVALID_ARGUMENT
|
||||
call set_errmsg("Unknown tally estimator: " // trim(estimator_))
|
||||
end select
|
||||
else
|
||||
err = E_OUT_OF_BOUNDS
|
||||
call set_errmsg("Index in tally array is out of bounds.")
|
||||
end if
|
||||
end function openmc_tally_set_estimator
|
||||
|
||||
|
||||
function openmc_tally_set_filters(index, n, filter_indices) result(err) bind(C)
|
||||
! Set the list of filters for a tally
|
||||
integer(C_INT32_T), value, intent(in) :: index
|
||||
|
|
@ -707,10 +777,17 @@ contains
|
|||
|
||||
if (index >= 1 .and. index <= n_tallies) then
|
||||
if (allocated(tallies(index) % obj)) then
|
||||
tallies(index) % obj % id = id
|
||||
call tally_dict % set(id, index)
|
||||
if (tally_dict % has(id)) then
|
||||
call set_errmsg("Two or more tallies use the same unique ID: " &
|
||||
// to_str(id))
|
||||
err = E_INVALID_ID
|
||||
else
|
||||
tallies(index) % obj % id = id
|
||||
call tally_dict % set(id, index)
|
||||
if (id > largest_tally_id) largest_tally_id = id
|
||||
|
||||
err = 0
|
||||
err = 0
|
||||
end if
|
||||
else
|
||||
err = E_ALLOCATE
|
||||
call set_errmsg("Tally type has not been set yet.")
|
||||
|
|
@ -942,4 +1019,42 @@ contains
|
|||
end if
|
||||
end function openmc_tally_set_scores
|
||||
|
||||
function openmc_tally_set_type(index, type) result(err) bind(C)
|
||||
! Update the type of a tally that is already allocated
|
||||
integer(C_INT32_T), value, intent(in) :: index
|
||||
character(kind=C_CHAR), intent(in) :: type(*)
|
||||
integer(C_INT) :: err
|
||||
|
||||
character(:), allocatable :: type_
|
||||
|
||||
! Convert C string to Fortran string
|
||||
type_ = to_f_string(type)
|
||||
|
||||
err = 0
|
||||
if (index >= 1 .and. index <= size(tallies)) then
|
||||
select case (type_)
|
||||
case ('volume')
|
||||
tallies(index) % obj % type = TALLY_VOLUME
|
||||
case ('mesh-surface')
|
||||
tallies(index) % obj % type = TALLY_MESH_SURFACE
|
||||
case ('surface')
|
||||
tallies(index) % obj % type = TALLY_SURFACE
|
||||
case default
|
||||
err = E_INVALID_ARGUMENT
|
||||
call set_errmsg("Unknown tally type: " // trim(type_))
|
||||
end select
|
||||
else
|
||||
err = E_OUT_OF_BOUNDS
|
||||
call set_errmsg("Index in tally array is out of bounds.")
|
||||
end if
|
||||
end function openmc_tally_set_type
|
||||
|
||||
|
||||
subroutine openmc_get_tally_next_id(id) bind(C)
|
||||
! Returns an ID number that has not been used by any other tallies.
|
||||
integer(C_INT32_T), intent(out) :: id
|
||||
|
||||
id = largest_tally_id + 1
|
||||
end subroutine openmc_get_tally_next_id
|
||||
|
||||
end module tally_header
|
||||
|
|
|
|||
|
|
@ -159,7 +159,6 @@ def test_tally_mapping(capi_init):
|
|||
|
||||
def test_tally(capi_init):
|
||||
t = openmc.capi.tallies[1]
|
||||
t.id = 1
|
||||
assert len(t.filters) == 2
|
||||
assert isinstance(t.filters[0], openmc.capi.MaterialFilter)
|
||||
assert isinstance(t.filters[1], openmc.capi.EnergyFilter)
|
||||
|
|
@ -184,7 +183,6 @@ def test_tally(capi_init):
|
|||
assert t.scores == new_scores
|
||||
|
||||
t2 = openmc.capi.tallies[2]
|
||||
t2.id = 2
|
||||
assert len(t2.filters) == 2
|
||||
assert isinstance(t2.filters[0], openmc.capi.ZernikeFilter)
|
||||
assert isinstance(t2.filters[1], openmc.capi.CellFilter)
|
||||
|
|
|
|||
Loading…
Add table
Add a link
Reference in a new issue