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(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());