Update include statement and add CMakeLists.txt for DataStructures

src/CMakeLists.txt

@@ -1,3 +1,5 @@
+add_subdirectory(DataStructures)
+
 add_library(poetinitlib
   Init/InitialList.cpp
   Init/GridInit.cpp  
@@ -5,6 +7,7 @@ add_library(poetinitlib
 )
 
 target_link_libraries(poetinitlib PUBLIC
+  DataStructures
   RRuntime 
   IPhreeqcPOET
   tug
@@ -27,11 +30,11 @@ add_library(poetlib
   Chemistry/SurrogateModels/HashFunctions.cpp 
   Chemistry/SurrogateModels/InterpolationModule.cpp 
   Chemistry/SurrogateModels/ProximityHashTable.cpp
-  DataStructures/Field.cpp
   Transport/DiffusionModule.cpp
 )
 
 target_link_libraries(poetlib PUBLIC
+  DataStructures
   MPI::MPI_C 
   ${MATH_LIBRARY} 
   RRuntime 

src/Chemistry/WorkerFunctions.cpp

@@ -17,6 +17,20 @@
 #include <vector>
 
 namespace poet {
+
+struct WorkPackage {
+  std::size_t size;
+  std::vector<std::vector<double>> input;
+  std::vector<std::vector<double>> output;
+  std::vector<std::uint8_t> mapping;
+
+  WorkPackage(size_t _size) : size(_size) {
+    input.resize(size);
+    output.resize(size);
+    mapping.resize(size, CHEM_PQC);
+  }
+};
+
 inline std::string get_string(int root, MPI_Comm communicator) {
   int count;
   MPI_Bcast(&count, 1, MPI_INT, root, communicator);

src/DataStructures/CMakeLists.txt

@@ -0,0 +1,11 @@
+add_library(DataStructures OBJECT 
+    Field.cpp
+)
+
+target_link_libraries(DataStructures
+    PUBLIC RRuntime
+)
+
+target_include_directories(DataStructures
+    PUBLIC ${CMAKE_CURRENT_SOURCE_DIR}
+)

src/DataStructures/Field.cpp

@@ -1,4 +1,4 @@
-#include "DataStructures.hpp"
+#include "Field.hpp"
 
 #include <Rcpp.h>
 #include <Rinternals.h>

src/DataStructures/Field.hpp

@@ -1,54 +1,14 @@
 #ifndef DATASTRUCTURES_H_
 #define DATASTRUCTURES_H_
 
-#include "../Chemistry/enums.hpp"
-
 #include <Rcpp.h>
 
-#include <cassert>
-#include <cinttypes>
 #include <cstddef>
-#include <iostream>
-#include <list>
 #include <string>
-#include <utility>
 #include <vector>
 
 namespace poet {
 
-struct WorkPackage {
-  std::size_t size;
-  std::vector<std::vector<double>> input;
-  std::vector<std::vector<double>> output;
-  std::vector<std::uint8_t> mapping;
-
-  WorkPackage(size_t _size) : size(_size) {
-    input.resize(size);
-    output.resize(size);
-    mapping.resize(size, CHEM_PQC);
-  }
-};
-
-template <typename T> class NamedVector : public Rcpp::NumericVector {
-public:
-  NamedVector() : Rcpp::NumericVector(){};
-
-  NamedVector(const std::vector<std::string> &in_names,
-              const std::vector<T> &in_values)
-      : Rcpp::NumericVector(Rcpp::wrap(in_values)) {
-    this->names() = Rcpp::CharacterVector(Rcpp::wrap(in_names));
-  }
-
-  NamedVector(const SEXP &s) : Rcpp::NumericVector(s){};
-
-  bool empty() const { return (this->size() == 0); }
-
-  std::vector<std::string> getNames() const {
-    return Rcpp::as<std::vector<std::string>>(this->names());
-  }
-  std::vector<T> getValues() const { return Rcpp::as<std::vector<T>>(*this); }
-};
-
 using FieldColumn = std::vector<double>;
 
 /**

src/DataStructures/NamedVector.hpp

@@ -0,0 +1,25 @@
+#pragma once
+
+#include <Rcpp.h>
+
+namespace poet {
+template <typename T> class NamedVector : public Rcpp::NumericVector {
+public:
+  NamedVector() : Rcpp::NumericVector(){};
+
+  NamedVector(const std::vector<std::string> &in_names,
+              const std::vector<T> &in_values)
+      : Rcpp::NumericVector(Rcpp::wrap(in_values)) {
+    this->names() = Rcpp::CharacterVector(Rcpp::wrap(in_names));
+  }
+
+  NamedVector(const SEXP &s) : Rcpp::NumericVector(s){};
+
+  bool empty() const { return (this->size() == 0); }
+
+  std::vector<std::string> getNames() const {
+    return Rcpp::as<std::vector<std::string>>(this->names());
+  }
+  std::vector<T> getValues() const { return Rcpp::as<std::vector<T>>(*this); }
+};
+} // namespace poet