From e6e5e0d5156c093241a53e6ce074ef346d64ae26 Mon Sep 17 00:00:00 2001
From: =?UTF-8?q?Max=20L=C3=BCbke?= <mluebke@gfz-potsdam.de>
Date: Tue, 7 May 2024 09:52:22 +0000
Subject: [PATCH] fix: Add missing "H" and "O" primaries

---
 poet/src/Engine.cpp     | 2 --
 poet/src/InitGetSet.cpp | 4 ++++
 2 files changed, 4 insertions(+), 2 deletions(-)

diff --git a/poet/src/Engine.cpp b/poet/src/Engine.cpp
index 538cf435..f3af6f1d 100644
--- a/poet/src/Engine.cpp
+++ b/poet/src/Engine.cpp
@@ -6,8 +6,6 @@
 
 void PhreeqcEngine::init_wrappers(const POETInitCell &cell) {
 
-  // TODO: Implement the rest of the wrappers. Currently supported: EXCHANGE
-
   // Solutions
   this->solutionWrapperPtr =
       std::make_unique<SolutionWrapper>(this->Get_solution(1), cell.solutions);
diff --git a/poet/src/InitGetSet.cpp b/poet/src/InitGetSet.cpp
index 11549f2b..04bb03f3 100644
--- a/poet/src/InitGetSet.cpp
+++ b/poet/src/InitGetSet.cpp
@@ -63,6 +63,10 @@ void PhreeqcInit::dump_reactant_names(
     auto *surface = this->Get_surface(cell_number);
 
     if (this->surface_primaries.empty()) {
+      // this is fixed! Always add H and O
+      this->surface_primaries.insert("H");
+      this->surface_primaries.insert("O");
+
       for (std::size_t i = 3; i < union_sol_names.size(); i++) {
         const auto master_primary = this->PhreeqcPtr->master_bsearch_primary(
             union_sol_names[i].c_str());