add properties file path to settings

with documentation and loading from c++
and python round trip test

Author: gonuke

docs/source/io_formats/settings.rst

@@ -1340,6 +1340,16 @@ despite not being bounded on both sides.
 
   *Default*: 10 K
 
+.. _properties_file:
+
+--------------------------------------
+``<properties_file>`` Element
+--------------------------------------
+
+  The ``properties_file`` element has no attributes and contains the path to
+  an HDF5 properties file to load during simulation initialization.
+
+
 .. _trace:
 
 -------------------

include/openmc/settings.h

@@ -114,6 +114,8 @@ extern std::string path_sourcepoint;      //!< path to a source file
 extern std::string path_statepoint;       //!< path to a statepoint file
 extern std::string weight_windows_file;   //!< Location of weight window file to
                                           //!< load on simulation initialization
+extern std::string properties_file;       //!< Location of properties file to
+                                          //!< load on simulation initialization
 
 // This is required because the c_str() may not be the first thing in
 // std::string. Sometimes it is, but it seems libc++ may not be like that

openmc/settings.py

@@ -179,6 +179,9 @@ class Settings:
        Initial seed for randomly generated plot colors.
     ptables : bool
         Determine whether probability tables are used.
+    properties_file : Pathlike
+        Location of the properties file to load cell temperatures/densities
+        and materials
     random_ray : dict
         Options for configuring the random ray solver. Acceptable keys are:
 
@@ -392,6 +395,7 @@ def __init__(self, **kwargs):
         self._photon_transport = None
         self._plot_seed = None
         self._ptables = None
+        self._properties_file = None
         self._uniform_source_sampling = None
         self._seed = None
         self._stride = None
@@ -1018,6 +1022,18 @@ def temperature(self, temperature: dict):
 
         self._temperature = temperature
 
+    @property
+    def properties_file(self) -> PathLike | None:
+        return self._properties_file
+
+    @properties_file.setter
+    def properties_file(self, value: PathLike | None):
+        if value is None:
+            self._properties_file = None
+        else:
+            cv.check_type('weight windows file', value, PathLike)
+            self._properties_file = input_path(value)
+
     @property
     def trace(self) -> Iterable:
         return self._trace
@@ -1708,6 +1724,12 @@ def _create_temperature_subelements(self, root):
                 else:
                     element.text = str(value)
 
+    def _create_properties_file_element(self, root):
+        if self.properties_file is not None:
+            element = ET.Element("properties_file")
+            element.text = str(self.properties_file)
+            root.append(element)
+
     def _create_trace_subelement(self, root):
         if self._trace is not None:
             element = ET.SubElement(root, "trace")
@@ -2205,6 +2227,11 @@ def _temperature_from_xml_element(self, root):
         if text is not None:
             self.temperature['multipole'] = text in ('true', '1')
 
+    def _properties_file_from_xml_element(self, root):
+        text = get_text(root, 'properties_file')
+        if text is not None:
+            self.properties_file = text
+
     def _trace_from_xml_element(self, root):
         text = get_elem_list(root, "trace", int)
         if text is not None:
@@ -2440,6 +2467,7 @@ def to_xml_element(self, mesh_memo=None):
         self._create_ifp_n_generation_subelement(element)
         self._create_tabular_legendre_subelements(element)
         self._create_temperature_subelements(element)
+        self._create_properties_file_element(element)
         self._create_trace_subelement(element)
         self._create_track_subelement(element)
         self._create_ufs_mesh_subelement(element, mesh_memo)
@@ -2554,6 +2582,7 @@ def from_xml_element(cls, elem, meshes=None):
         settings._ifp_n_generation_from_xml_element(elem)
         settings._tabular_legendre_from_xml_element(elem)
         settings._temperature_from_xml_element(elem)
+        settings._properties_file_from_xml_element(elem)
         settings._trace_from_xml_element(elem)
         settings._track_from_xml_element(elem)
         settings._ufs_mesh_from_xml_element(elem, meshes)

src/finalize.cpp

@@ -138,6 +138,7 @@ int openmc_finalize()
   settings::temperature_multipole = false;
   settings::temperature_range = {0.0, 0.0};
   settings::temperature_tolerance = 10.0;
+  settings::properties_file.clear();
   settings::trigger_on = false;
   settings::trigger_predict = false;
   settings::trigger_batch_interval = 1;

src/settings.cpp

@@ -96,6 +96,7 @@ std::string path_sourcepoint;
 std::string path_statepoint;
 const char* path_statepoint_c {path_statepoint.c_str()};
 std::string weight_windows_file;
+std::string properties_file;
 
 int32_t n_inactive {0};
 int32_t max_lost_particles {10};
@@ -733,6 +734,11 @@ void read_settings_xml(pugi::xml_node root)
     }
   }
 
+  // read properties from file
+  if (check_for_node(root, "properties_file")) {
+    properties_file = get_node_value(root, "properties_file");
+  }
+
   // Particle trace
   if (check_for_node(root, "trace")) {
     auto temp = get_node_array<int64_t>(root, "trace");

tests/unit_tests/test_settings.py

@@ -43,6 +43,7 @@ def test_export_to_xml(run_in_tmpdir):
     s.tabular_legendre = {'enable': True, 'num_points': 50}
     s.temperature = {'default': 293.6, 'method': 'interpolation',
                      'multipole': True, 'range': (200., 1000.)}
+    s.properties_file = 'properties_test.h5'
     s.trace = (10, 1, 20)
     s.track = [(1, 1, 1), (2, 1, 1)]
     s.ufs_mesh = mesh
@@ -129,6 +130,7 @@ def test_export_to_xml(run_in_tmpdir):
     assert s.tabular_legendre == {'enable': True, 'num_points': 50}
     assert s.temperature == {'default': 293.6, 'method': 'interpolation',
                              'multipole': True, 'range': [200., 1000.]}
+    assert s.properties_file = "properties_test.h5"
     assert s.trace == [10, 1, 20]
     assert s.track == [(1, 1, 1), (2, 1, 1)]
     assert isinstance(s.ufs_mesh, openmc.RegularMesh)