From 66d908b548f40c10b284e82d5f5cb0d9a7ad301b Mon Sep 17 00:00:00 2001
From: =?UTF-8?q?Max=20L=C3=BCbke?= <mluebke@uni-potsdam.de>
Date: Wed, 12 Mar 2025 10:07:17 +0100
Subject: [PATCH] fix: Correct boolean conversion in DHT hook call

---
 bench/dolo/dolo_interp.R                      | 48 +++++++++----------
 src/Chemistry/SurrogateModels/DHT_Wrapper.cpp |  2 +-
 .../SurrogateModels/InterpolationModule.cpp   |  2 +-
 3 files changed, 26 insertions(+), 26 deletions(-)

diff --git a/bench/dolo/dolo_interp.R b/bench/dolo/dolo_interp.R
index f48527d00..1dc6ae950 100644
--- a/bench/dolo/dolo_interp.R
+++ b/bench/dolo/dolo_interp.R
@@ -41,36 +41,36 @@ diffusion_setup <- list(
 )
 
 check_sign_cal_dol_dht <- function(old, new) {
-    if ((old["Calcite"] == 0) != (new["Calcite"] == 0)) {
-        return(TRUE)
-    }
-    if ((old["Dolomite"] == 0) != (new["Dolomite"] == 0)) {
-        return(TRUE)
-    }
+    # if ((old["Calcite"] == 0) != (new["Calcite"] == 0)) {
+    #     return(TRUE)
+    # }
+    # if ((old["Dolomite"] == 0) != (new["Dolomite"] == 0)) {
+    #     return(TRUE)
+    # }
     return(FALSE)
 }
 
-fuzz_input_dht_keys <- function(input) {
-    dht_species <- c(
-        "H" = 3,
-        "O" = 3,
-        "Charge" = 3,
-        "C(4)" = 6,
-        "Ca" = 6,
-        "Cl" = 3,
-        "Mg" = 5,
-        "Calcite" = 4,
-        "Dolomite" = 4
-    )
-    return(input[names(dht_species)])
-}
+# fuzz_input_dht_keys <- function(input) {
+#     dht_species <- c(
+#         "H" = 3,
+#         "O" = 3,
+#         "Charge" = 3,
+#         "C" = 6,
+#         "Ca" = 6,
+#         "Cl" = 3,
+#         "Mg" = 5,
+#         "Calcite" = 4,
+#         "Dolomite" = 4
+#     )
+#     return(input[names(dht_species)])
+# }
 
 check_sign_cal_dol_interp <- function(to_interp, data_set) {
     dht_species <- c(
         "H" = 3,
         "O" = 3,
         "Charge" = 3,
-        "C(4)" = 6,
+        "C" = 6,
         "Ca" = 6,
         "Cl" = 3,
         "Mg" = 5,
@@ -95,7 +95,7 @@ check_neg_cal_dol <- function(result) {
 # significant digits)
 
 pht_species <- c(
-    "C(4)" = 3,
+    "C" = 3,
     "Ca" = 3,
     "Mg" = 2,
     "Calcite" = 2,
@@ -107,7 +107,7 @@ chemistry_setup <- list(
         "H" = 3,
         "O" = 3,
         "Charge" = 3,
-        "C(4)" = 6,
+        "C" = 6,
         "Ca" = 6,
         "Cl" = 3,
         "Mg" = 5,
@@ -117,7 +117,7 @@ chemistry_setup <- list(
     pht_species = pht_species,
     hooks = list(
         dht_fill = check_sign_cal_dol_dht,
-        dht_fuzz = fuzz_input_dht_keys,
+        # dht_fuzz = fuzz_input_dht_keys,
         interp_pre = check_sign_cal_dol_interp,
         interp_post = check_neg_cal_dol
     )
diff --git a/src/Chemistry/SurrogateModels/DHT_Wrapper.cpp b/src/Chemistry/SurrogateModels/DHT_Wrapper.cpp
index 3b836d4f4..83db27ff8 100644
--- a/src/Chemistry/SurrogateModels/DHT_Wrapper.cpp
+++ b/src/Chemistry/SurrogateModels/DHT_Wrapper.cpp
@@ -144,7 +144,7 @@ void DHT_Wrapper::fillDHT(const WorkPackage &work_package) {
       NamedVector<double> old_values(output_names, work_package.input[i]);
       NamedVector<double> new_values(output_names, work_package.output[i]);
 
-      if (hooks.dht_fill(old_values, new_values)) {
+      if (Rcpp::as<bool>(hooks.dht_fill(old_values, new_values))) {
         continue;
       }
     }
diff --git a/src/Chemistry/SurrogateModels/InterpolationModule.cpp b/src/Chemistry/SurrogateModels/InterpolationModule.cpp
index 0b6fbd1d8..db730d00d 100644
--- a/src/Chemistry/SurrogateModels/InterpolationModule.cpp
+++ b/src/Chemistry/SurrogateModels/InterpolationModule.cpp
@@ -145,7 +145,7 @@ void InterpolationModule::tryInterpolation(WorkPackage &work_package) {
 
     if (hooks.interp_post.isValid()) {
       NamedVector<double> nv_result(this->out_names, work_package.output[wp_i]);
-      if (hooks.interp_post(nv_result)) {
+      if (Rcpp::as<bool>(hooks.interp_post(nv_result))) {
         interp_result.status[wp_i] = INSUFFICIENT_DATA;
         continue;
       }