Ability to create tallies from Python bindings to C API

openmc/capi/filter.py

@@ -145,6 +145,16 @@ class MaterialFilterView(FilterView):
 
         _dll.openmc_material_filter_set_bins(self._index, n, bins)
 
+    @classmethod
+    def new(cls, bins=None):
+        index = c_int32()
+        _dll.openmc_extend_filters(1, index, None)
+        _dll.openmc_filter_set_type(index, b'material')
+        f = cls(index.value)
+        if bins is not None:
+            f.bins = bins
+        return f
+
 
 class MeshFilterView(FilterView):
     pass

openmc/capi/tally.py

@@ -36,12 +36,18 @@ _dll.openmc_tally_results.errcheck = _error_handler
 _dll.openmc_tally_set_filters.argtypes = [c_int32, c_int, POINTER(c_int32)]
 _dll.openmc_tally_set_filters.restype = c_int
 _dll.openmc_tally_set_filters.errcheck = _error_handler
+_dll.openmc_tally_set_id.argtypes = [c_int32, c_int32]
+_dll.openmc_tally_set_id.restype = c_int
+_dll.openmc_tally_set_id.errcheck = _error_handler
 _dll.openmc_tally_set_nuclides.argtypes = [c_int32, c_int, POINTER(c_char_p)]
 _dll.openmc_tally_set_nuclides.restype = c_int
 _dll.openmc_tally_set_nuclides.errcheck = _error_handler
 _dll.openmc_tally_set_scores.argtypes = [c_int32, c_int, POINTER(c_char_p)]
 _dll.openmc_tally_set_scores.restype = c_int
 _dll.openmc_tally_set_scores.errcheck = _error_handler
+_dll.openmc_tally_set_type.argtypes = [c_int32, c_char_p]
+_dll.openmc_tally_set_type.restype = c_int
+_dll.openmc_tally_set_type.errcheck = _error_handler
 
 
 class TallyView(object):
@@ -85,6 +91,10 @@ class TallyView(object):
         _dll.openmc_tally_get_id(self._index, tally_id)
         return tally_id.value
 
+    @id.setter
+    def id(self, tally_id):
+        _dll.openmc_tally_set_id(self._index, tally_id)
+
     @property
     def filters(self):
         filt_idx = POINTER(c_int32)()
@@ -121,6 +131,23 @@ class TallyView(object):
         nucs[:] = [x.encode() for x in nuclides]
         _dll.openmc_tally_set_nuclides(self._index, len(nuclides), nucs)
 
+    @property
+    def scores(self):
+        pass
+
+    @scores.setter
+    def scores(self, scores):
+        scores_ = (c_char_p * len(scores))()
+        scores_[:] = [x.encode() for x in scores]
+        _dll.openmc_tally_set_scores(self._index, len(scores), scores_)
+
+    @classmethod
+    def new(cls):
+        index = c_int32()
+        _dll.openmc_extend_tallies(1, index, None)
+        _dll.openmc_tally_set_type(index, b'generic')
+        return cls(index.value)
+
 
 class _TallyMapping(Mapping):
     def __getitem__(self, key):

src/api.F90

@@ -66,6 +66,7 @@ module openmc_api
   public :: openmc_tally_get_nuclides
   public :: openmc_tally_results
   public :: openmc_tally_set_filters
+  public :: openmc_tally_set_id
   public :: openmc_tally_set_nuclides
   public :: openmc_tally_set_scores
   public :: openmc_tally_set_type

src/input_xml.F90

@@ -3249,17 +3249,6 @@ contains
       ! Get pointer to tally xml node
       node_tal = node_tal_list(i)
 
-      ! Set tally type to volume by default
-      t % type = TALLY_VOLUME
-
-      ! It's desirable to use a track-length esimator for tallies since
-      ! generally more events will score to the tally, reducing the
-      ! variance. However, for tallies that require information on
-      ! post-collision parameters (e.g. tally with an energyout filter) the
-      ! analog esimator must be used.
-
-      t % estimator = ESTIMATOR_TRACKLENGTH
-
       ! Copy tally id
       if (check_for_node(node_tal, "id")) then
         call get_node_value(node_tal, "id", t % id)
@@ -3318,8 +3307,6 @@ contains
 
         ! Set the filters
         err = openmc_tally_set_filters(i_start + i - 1, n_filter, temp_filter)
-      else
-        allocate(t % filter(n_filter))
       end if
       deallocate(temp_filter)
 

src/tallies/tally.F90

@@ -4429,6 +4429,7 @@ contains
     character(kind=C_CHAR), intent(in) :: type(*)
     integer(C_INT) :: err
 
+    integer(C_INT32_T) :: empty(0)
     character(:), allocatable :: type_
 
     ! Convert C string to Fortran string
@@ -4445,6 +4446,9 @@ contains
         case default
           err = E_UNASSIGNED
         end select
+
+        ! When a tally is allocated, set it to have 0 filters
+        err = tallies(index) % obj % set_filters(empty)
       end if
     else
       err = E_OUT_OF_BOUNDS

src/tallies/tally_header.F90

@@ -24,6 +24,7 @@ module tally_header
   public :: openmc_tally_get_nuclides
   public :: openmc_tally_results
   public :: openmc_tally_set_filters
+  public :: openmc_tally_set_id
   public :: openmc_tally_set_nuclides
   public :: openmc_tally_set_scores
 
@@ -51,8 +52,8 @@ module tally_header
 
     integer :: id                   ! user-defined identifier
     character(len=104) :: name = "" ! user-defined name
-    integer :: type                 ! volume, surface current
-    integer :: estimator            ! collision, track-length
+    integer :: type = TALLY_VOLUME  ! volume, surface current
+    integer :: estimator = ESTIMATOR_TRACKLENGTH ! collision, track-length
     real(8) :: volume               ! volume of region
     logical :: active = .false.
     integer, allocatable :: filter(:) ! index in filters array
@@ -235,6 +236,13 @@ contains
   subroutine tally_allocate_results(this)
     class(TallyObject), intent(inout) :: this
 
+    ! If no nuclides were specified, add a single bin for total material
+    if (.not. allocated(this % nuclide_bins)) then
+      allocate(this % nuclide_bins(1))
+      this % nuclide_bins(1) = -1
+      this % n_nuclide_bins = 1
+    end if
+
     ! Set total number of filter and scoring bins
     this % total_score_bins = this % n_score_bins * this % n_nuclide_bins
 
@@ -520,6 +528,27 @@ contains
   end function openmc_tally_set_filters
 
 
+  function openmc_tally_set_id(index, id) result(err) bind(C)
+    ! Set the ID of a tally
+    integer(C_INT32_T), value, intent(in) :: index
+    integer(C_INT32_T), value, intent(in) :: id
+    integer(C_INT) :: err
+
+    if (index >= 1 .and. index <= n_tallies) then
+      if (allocated(tallies(index) % obj)) then
+        tallies(index) % obj % id = id
+        call tally_dict % add_key(id, index)
+
+        err = 0
+      else
+        err = E_FILTER_NOT_ALLOCATED
+      end if
+    else
+      err = E_OUT_OF_BOUNDS
+    end if
+  end function openmc_tally_set_id
+
+
   function openmc_tally_set_nuclides(index, n, nuclides) result(err) bind(C)
     ! Sets the nuclides in the tally which results should be scored for
     integer(C_INT32_T), value  :: index