refactor: Rework deferred R function evaluation

fix: Unique pointer behaviour of `global_rt_setup` was messed up

src/Base/RInsidePOET.hpp

@@ -1,17 +1,13 @@
-#ifndef RPOET_H_
+#pragma once
-#define RPOET_H_
 
 #include <RInside.h>
 #include <Rcpp.h>
 #include <Rinternals.h>
-#include <cstddef>
 #include <exception>
-#include <optional>
+#include <memory>
-#include <stdexcept>
 #include <string>
-#include <utility>
-#include <vector>
 
+namespace poet {
 class RInsidePOET : public RInside {
 public:
   static RInsidePOET &getInstance() {
@@ -33,44 +29,64 @@ private:
   RInsidePOET() : RInside(){};
 };
 
-template <typename T> class RHookFunction {
+/**
+ * @brief Deferred evaluation function
+ *
+ * The class is intended to call R functions within an existing RInside
+ * instance. The problem with "original" Rcpp::Function is that they require:
+ * 1. RInside instance already present, restricting the declaration of
+ *     Rcpp::Functions in global scope
+ * 2. Require the function to be present. Otherwise, they will throw an
+ *     exception.
+ * This class solves both problems by deferring the evaluation of the function
+ *  until the constructor is called and evaluating whether the function is
+ *  present or not, wihout throwing an exception.
+ *
+ * @tparam T Return type of the function
+ */
+class DEFunc {
 public:
-  RHookFunction() {}
+  DEFunc() {}
-  RHookFunction(RInside &R, const std::string &f_name) {
+  DEFunc(const std::string &f_name) {
     try {
-      this->func = Rcpp::Function(Rcpp::as<SEXP>(R.parseEval(f_name.c_str())));
+      this->func = std::make_shared<Rcpp::Function>(f_name);
     } catch (const std::exception &e) {
     }
   }
 
-  RHookFunction(SEXP f) {
+  DEFunc(SEXP f) {
     try {
-      this->func = Rcpp::Function(f);
+      this->func = std::make_shared<Rcpp::Function>(f);
     } catch (const std::exception &e) {
     }
   }
 
-  template <typename... Args> T operator()(Args... args) const {
+  template <typename... Args> SEXP operator()(Args... args) const {
-    if (func.has_value()) {
+    if (func) {
-      return (Rcpp::as<T>(this->func.value()(args...)));
+      return (*this->func)(args...);
     } else {
       throw std::exception();
     }
   }
 
-  RHookFunction &operator=(const RHookFunction &rhs) {
+  DEFunc &operator=(const DEFunc &rhs) {
     this->func = rhs.func;
     return *this;
   }
 
-  RHookFunction(const RHookFunction &rhs) { this->func = rhs.func; }
+  DEFunc(const DEFunc &rhs) { this->func = rhs.func; }
 
-  bool isValid() const { return this->func.has_value(); }
+  bool isValid() const { return static_cast<bool>(func); }
 
-  SEXP asSEXP() const { return Rcpp::as<SEXP>(this->func.value()); }
+  SEXP asSEXP() const {
+    if (!func) {
+      return R_NilValue;
+    }
+    return Rcpp::as<SEXP>(*this->func.get());
+  }
 
 private:
-  std::optional<Rcpp::Function> func;
+  std::shared_ptr<Rcpp::Function> func;
 };
 
-#endif // RPOET_H_
+} // namespace poet

src/Chemistry/SurrogateModels/DHT_Wrapper.cpp

@@ -25,6 +25,7 @@
 #include "Init/InitialList.hpp"
 #include "Rounding.hpp"
 
+#include <Rcpp/proxy/ProtectedProxy.h>
 #include <algorithm>
 #include <cassert>
 #include <cmath>
@@ -267,7 +268,8 @@ LookupKey DHT_Wrapper::fuzzForDHT_R(const std::vector<double> &cell,
 
   NamedVector<double> input_nv(this->output_names, cell);
 
-  const std::vector<double> eval_vec = hooks.dht_fuzz(input_nv);
+  const std::vector<double> eval_vec =
+      Rcpp::as<std::vector<double>>(hooks.dht_fuzz(input_nv));
   assert(eval_vec.size() == this->key_count);
   LookupKey vecFuzz(this->key_count + 1, {.0});
 

src/Chemistry/SurrogateModels/InterpolationModule.cpp

@@ -9,6 +9,7 @@
 #include "Rounding.hpp"
 
 #include <Rcpp.h>
+#include <Rcpp/proxy/ProtectedProxy.h>
 #include <Rinternals.h>
 
 #include <algorithm>
@@ -94,7 +95,8 @@ void InterpolationModule::tryInterpolation(WorkPackage &work_package) {
     if (hooks.interp_pre.isValid()) {
       NamedVector<double> nv_in(this->out_names, work_package.input[wp_i]);
 
-      auto rm_indices = hooks.interp_pre(nv_in, pht_result.in_values);
+      std::vector<int> rm_indices = Rcpp::as<std::vector<int>>(
+          hooks.interp_pre(nv_in, pht_result.in_values));
 
       pht_result.size -= rm_indices.size();
 

src/Init/InitialList.hpp

@@ -215,10 +215,10 @@ private:
 
 public:
   struct ChemistryHookFunctions {
-    RHookFunction<bool> dht_fill;
+    poet::DEFunc dht_fill;
-    RHookFunction<std::vector<double>> dht_fuzz;
+    poet::DEFunc dht_fuzz;
-    RHookFunction<std::vector<std::size_t>> interp_pre;
+    poet::DEFunc interp_pre;
-    RHookFunction<bool> interp_post;
+    poet::DEFunc interp_post;
   };
 
   struct ChemistryInit {

src/poet.cpp

@@ -4,7 +4,8 @@
 **
 ** Copyright (C) 2018-2022 Marco De Lucia, Max Luebke (GFZ Potsdam)
 **
-** Copyright (C) 2023-2024 Max Luebke (University of Potsdam)
+** Copyright (C) 2023-2024 Marco De Lucia (GFZ Potsdam), Max Luebke (University
+** of Potsdam)
 **
 ** POET is free software; you can redistribute it and/or modify it under the
 ** terms of the GNU General Public License as published by the Free Software
@@ -36,7 +37,6 @@
 #include <cstdlib>
 #include <memory>
 #include <mpi.h>
-#include <optional>
 #include <string>
 
 #include "Base/argh.hpp"
@@ -54,21 +54,21 @@ static std::unique_ptr<Rcpp::List> global_rt_setup;
 
 // we need some lazy evaluation, as we can't define the functions
 // before the R runtime is initialized
-static std::optional<Rcpp::Function> master_init_R;
+static poet::DEFunc master_init_R;
-static std::optional<Rcpp::Function> master_iteration_end_R;
+static poet::DEFunc master_iteration_end_R;
-static std::optional<Rcpp::Function> store_setup_R;
+static poet::DEFunc store_setup_R;
-static std::optional<Rcpp::Function> ReadRObj_R;
+static poet::DEFunc ReadRObj_R;
-static std::optional<Rcpp::Function> SaveRObj_R;
+static poet::DEFunc SaveRObj_R;
-static std::optional<Rcpp::Function> source_R;
+static poet::DEFunc source_R;
 
 static void init_global_functions(RInside &R) {
   R.parseEval(kin_r_library);
-  master_init_R		 = Rcpp::Function("master_init");
+  master_init_R = DEFunc("master_init");
-  master_iteration_end_R = Rcpp::Function("master_iteration_end");
+  master_iteration_end_R = DEFunc("master_iteration_end");
-  store_setup_R		 = Rcpp::Function("StoreSetup");
+  store_setup_R = DEFunc("StoreSetup");
-  source_R		 = Rcpp::Function("source");
+  source_R = DEFunc("source");
-  ReadRObj_R		 = Rcpp::Function("ReadRObj");
+  ReadRObj_R = DEFunc("ReadRObj");
-  SaveRObj_R		 = Rcpp::Function("SaveRObj");
+  SaveRObj_R = DEFunc("SaveRObj");
 }
 
 // HACK: this is a step back as the order and also the count of fields is
@@ -224,12 +224,12 @@ ParseRet parseInitValues(char **argv, RuntimeParameters &params) {
     // Rcpp::Function ReadRObj("ReadRObj");
     // Rcpp::Function SaveRObj("SaveRObj");
 
-    Rcpp::List init_params_ = ReadRObj_R.value()(init_file);
+    Rcpp::List init_params_(ReadRObj_R(init_file));
     params.init_params = init_params_;
 
-    global_rt_setup = std::make_unique<Rcpp::List>();
+    global_rt_setup = std::make_unique<Rcpp::List>(
-    *global_rt_setup = source_R.value()(runtime_file, Rcpp::Named("local", true));
+        source_R(runtime_file, Rcpp::Named("local", true)));
-    *global_rt_setup = global_rt_setup->operator[]("value");
+    *global_rt_setup = (*global_rt_setup)["value"];
 
     // MDL add "out_ext" for output format to R setup
     (*global_rt_setup)["out_ext"] = params.out_ext;
@@ -524,9 +524,8 @@ int main(int argc, char *argv[]) {
       // R.parseEvalQ("mysetup <- setup");
       // // if (MY_RANK == 0) { // get timestep vector from
       // // grid_init function ... //
-      *global_rt_setup =
+      *global_rt_setup = master_init_R(*global_rt_setup, run_params.out_dir,
-	master_init_R.value()(*global_rt_setup, run_params.out_dir,
+                                       init_list.getInitialGrid().asSEXP());
-			      init_list.getInitialGrid().asSEXP());
       // MDL: store all parameters
       // MSG("Calling R Function to store calling parameters");
       // R.parseEvalQ("StoreSetup(setup=mysetup)");

test/testField.cpp

@@ -89,14 +89,14 @@ TEST_CASE("Field") {
   }
 
   SUBCASE("Apply R function (set Na to zero)") {
-    RHookFunction<Field> to_call(R, "simple_field");
+    poet::DEFunc to_call("simple_field");
     Field field_proc = to_call(dut.asSEXP());
 
     CHECK_EQ(field_proc["Na"], FieldColumn(dut.GetRequestedVecSize(), 0));
   }
 
   SUBCASE("Apply R function (add two fields)") {
-    RHookFunction<Field> to_call(R, "extended_field");
+    poet::DEFunc to_call("extended_field");
     Field field_proc = to_call(dut.asSEXP(), dut.asSEXP());
 
     CHECK_EQ(field_proc["Na"],

test/testNamedVector.cpp

@@ -9,7 +9,7 @@
 #include "testDataStructures.hpp"
 
 TEST_CASE("NamedVector") {
-  RInsidePOET &R = RInsidePOET::getInstance();
+  poet::RInsidePOET &R = poet::RInsidePOET::getInstance();
 
   R["sourcefile"] = RInside_source_file;
   R.parseEval("source(sourcefile)");
@@ -36,14 +36,14 @@ TEST_CASE("NamedVector") {
   }
 
   SUBCASE("Apply R function (set to zero)") {
-    RHookFunction<poet::NamedVector<double>> to_call(R, "simple_named_vec");
+    poet::DEFunc to_call("simple_named_vec");
     nv = to_call(nv);
 
     CHECK_EQ(nv[2], 0);
   }
 
   SUBCASE("Apply R function (second NamedVector)") {
-    RHookFunction<poet::NamedVector<double>> to_call(R, "extended_named_vec");
+    poet::DEFunc to_call("extended_named_vec");
 
     const std::vector<std::string> names{{"C", "H", "Mg"}};
     const std::vector<double> values{{0, 1, 2}};
@@ -56,8 +56,8 @@ TEST_CASE("NamedVector") {
   }
 
   SUBCASE("Apply R function (check if zero)") {
-    RHookFunction<bool> to_call(R, "bool_named_vec");
+    poet::DEFunc to_call("bool_named_vec");
 
-    CHECK_FALSE(to_call(nv));
+    CHECK_FALSE(Rcpp::as<bool>(to_call(nv)));
   }
 }