Address @smharper comments on #1035

CMakeLists.txt

@@ -398,6 +398,7 @@ add_library(libopenmc SHARED
   src/pugixml/pugixml_c.cpp
   src/random_lcg.cpp
   src/scattdata.cpp
+  src/settings.cpp
   src/simulation.cpp
   src/state_point.cpp
   src/string_functions.cpp

src/hdf5_interface.h

@@ -143,8 +143,8 @@ struct H5TypeMap { static const hid_t type_id; };
 // Template functions used to provide simple interface to lower-level functions
 //==============================================================================
 
-template<typename T>
-void write_attribute(hid_t obj_id, const char* name, T buffer)
+template<typename T> inline void
+write_attribute(hid_t obj_id, const char* name, T buffer)
 {
   write_attr(obj_id, name, 0, nullptr, H5TypeMap<T>::type_id, &buffer);
 }

src/initialize.cpp

@@ -10,25 +10,17 @@
 #include "hdf5_interface.h"
 #include "message_passing.h"
 #include "openmc.h"
+#include "settings.h"
 #ifdef _OPENMP
 #include "omp.h"
 #endif
 
 // data/functions from Fortran side
-extern "C" bool openmc_check_overlaps;
-extern "C" bool openmc_write_all_tracks;
-extern "C" bool openmc_particle_restart_run;
-extern "C" bool openmc_restart_run;
 extern "C" void print_usage();
 extern "C" void print_version();
 
-
 // Paths to various files
 extern "C" {
-  char* openmc_path_input;
-  char* openmc_path_statepoint;
-  char* openmc_path_sourcepoint;
-  char* openmc_path_particle_restart;
   bool is_null(void* ptr) {return !ptr;}
 }
 

src/input_xml.F90

@@ -82,6 +82,11 @@ module input_xml
       type(C_PTR) :: node_ptr
     end subroutine read_lattices
 
+    subroutine read_settings(node_ptr) bind(C)
+      import C_PTR
+      type(C_PTR) :: node_ptr
+    end subroutine read_settings
+
     function find_root_universe() bind(C) result(root)
       import C_INT32_T
       integer(C_INT32_T) :: root
@@ -240,6 +245,9 @@ contains
     call doc % load_file(filename)
     root = doc % document_element()
 
+    ! Read settings from C++ side
+    call read_settings(root % ptr)
+
     ! Verbosity
     if (check_for_node(root, "verbosity")) then
       call get_node_value(root, "verbosity", verbosity)

src/particle.cpp

@@ -7,6 +7,7 @@
 #include "error.h"
 #include "hdf5_interface.h"
 #include "openmc.h"
+#include "settings.h"
 #include "simulation.h"
 
 namespace openmc {
@@ -146,9 +147,8 @@ Particle::write_restart()
   if (openmc_run_mode == RUN_MODE_PARTICLE) return;
 
   // Set up file name
-  // TODO: Add path_output when available on C++ side
   std::stringstream filename;
-  filename << "particle_" << openmc_current_batch << '_' << id << ".h5";
+  filename << path_output << "particle_" << openmc_current_batch << '_' << id << ".h5";
 
 #pragma omp critical (WriteParticleRestart)
   {

src/particle.h

@@ -1,6 +1,9 @@
 #ifndef PARTICLE_H
 #define PARTICLE_H
 
+//! @file particle.h
+//! @brief Particle type
+
 #include <cstdint>
 #include <array>
 
@@ -21,12 +24,12 @@ constexpr double REL_MAX_LOST_PARTICLES {1.0e-6};
 extern "C" {
 
   struct LocalCoord {
-    int cell;
-    int universe;
-    int lattice;
-    int lattice_x;
-    int lattice_y;
-    int lattice_z;
+    int cell {-1};
+    int universe {-1};
+    int lattice {-1};
+    int lattice_x {-1};
+    int lattice_y {-1};
+    int lattice_z {-1};
     double xyz[3]; //!< particle position
     double uvw[3]; //!< particle direction
     bool rotated {false};  //!< Is the level rotated?
@@ -95,7 +98,7 @@ extern "C" {
     double last_sqrtkT;  //!< last temperature
 
     // Statistical data
-    int n_collision;  //!< # of collisions
+    int n_collision;  //!< number of collisions
 
     // Track output
     bool write_track {false};

src/settings.cpp

@@ -0,0 +1,70 @@
+#include "settings.h"
+
+#include "error.h"
+#include "openmc.h"
+#include "string_utils.h"
+#include "xml_interface.h"
+
+namespace openmc {
+
+//==============================================================================
+// Global variables
+//==============================================================================
+
+char* openmc_path_input;
+char* openmc_path_statepoint;
+char* openmc_path_sourcepoint;
+char* openmc_path_particle_restart;
+std::string path_cross_sections;
+std::string path_multipole;
+std::string path_output;
+std::string path_source;
+
+//==============================================================================
+// Functions
+//==============================================================================
+
+void read_settings(pugi::xml_node* root)
+{
+  // Look for deprecated cross_sections.xml file in settings.xml
+  if (check_for_node(*root, "cross_sections")) {
+    warning("Setting cross_sections in settings.xml has been deprecated."
+        " The cross_sections are now set in materials.xml and the "
+        "cross_sections input to materials.xml and the OPENMC_CROSS_SECTIONS"
+        " environment variable will take precendent over setting "
+        "cross_sections in settings.xml.");
+    path_cross_sections = get_node_value(*root, "cross_sections");
+  }
+
+  // Look for deprecated windowed_multipole file in settings.xml
+  if (openmc_run_mode != RUN_MODE_PLOTTING) {
+    if (check_for_node(*root, "multipole_library")) {
+      warning("Setting multipole_library in settings.xml has been "
+          "deprecated. The multipole_library is now set in materials.xml and"
+          " the multipole_library input to materials.xml and the "
+          "OPENMC_MULTIPOLE_LIBRARY environment variable will take "
+          "precendent over setting multipole_library in settings.xml.");
+      path_multipole = get_node_value(*root, "multipole_library");
+    }
+    if (!ends_with(path_multipole, "/")) {
+      path_multipole += "/";
+    }
+  }
+
+  // Check for output options
+  if (check_for_node(*root, "output")) {
+
+    // Get pointer to output node
+    pugi::xml_node node_output = root->child("output");
+
+    // Set output directory if a path has been specified
+    if (check_for_node(node_output, "path")) {
+      path_output = get_node_value(node_output, "path");
+      if (!ends_with(path_output, "/")) {
+        path_output += "/";
+      }
+    }
+  }
+}
+
+} // namespace openmc

src/settings.h

@@ -0,0 +1,43 @@
+#ifndef OPENMC_SETTINGS_H
+#define OPENMC_SETTINGS_H
+
+//! @file settings.h
+//! @brief Settings for OpenMC
+
+#include <string>
+
+#include "pugixml.hpp"
+
+namespace openmc {
+
+//==============================================================================
+// Global variable declarations
+//==============================================================================
+
+// Defined on Fortran side
+extern "C" bool openmc_check_overlaps;
+extern "C" bool openmc_particle_restart_run;
+extern "C" bool openmc_restart_run;
+extern "C" bool openmc_write_all_tracks;
+
+// Defined in .cpp
+// TODO: Make strings instead of char* once Fortran is gone
+extern "C" char* openmc_path_input;
+extern "C" char* openmc_path_statepoint;
+extern "C" char* openmc_path_sourcepoint;
+extern "C" char* openmc_path_particle_restart;
+extern std::string path_cross_sections;
+extern std::string path_multipole;
+extern std::string path_output;
+extern std::string path_source;
+
+//==============================================================================
+//! Read settings from XML file
+//! @param[in] root XML node for <settings>
+//==============================================================================
+
+extern "C" void read_settings(pugi::xml_node* root);
+
+} // namespace openmc
+
+#endif // OPENMC_SETTINGS_H

src/string_utils.h

@@ -1,14 +1,14 @@
-#ifndef STRING_UTILS_H
-#define STRING_UTILS_H
+#ifndef OPENMC_STRING_UTILS_H
+#define OPNEMC_STRING_UTILS_H
 
+#include <algorithm>
 #include <string>
 #include <vector>
 
-
 namespace openmc {
 
-std::vector<std::string>
-split(const std::string &in)
+inline std::vector<std::string>
+split(const std::string& in)
 {
   std::vector<std::string> out;
 
@@ -31,5 +31,12 @@ split(const std::string &in)
   return out;
 }
 
+inline bool
+ends_with(const std::string& value, const std::string& ending)
+{
+    if (ending.size() > value.size()) return false;
+    return std::equal(ending.rbegin(), ending.rend(), value.rbegin());
+}
+
 } // namespace openmc
-#endif // STRING_UTILS_H
+#endif // OPENMC_STRING_UTILS_H