From b383d3388018b3d2a5fd2fc075708a3b30cc0bf4 Mon Sep 17 00:00:00 2001
From: renchao_lu <renchao.lu@gmail.com>
Date: Fri, 10 Dec 2021 14:07:10 +0100
Subject: [PATCH] [CL] Initialize the "fixing_pe" option.
---
ChemistryLib/PhreeqcIOData/AqueousSolution.h | 10 ++++++----
ChemistryLib/PhreeqcIOData/CreateAqueousSolution.cpp | 8 ++++++--
2 files changed, 12 insertions(+), 6 deletions(-)
diff --git a/ChemistryLib/PhreeqcIOData/AqueousSolution.h b/ChemistryLib/PhreeqcIOData/AqueousSolution.h
index c646666a1d1..96fd71db1c4 100644
--- a/ChemistryLib/PhreeqcIOData/AqueousSolution.h
+++ b/ChemistryLib/PhreeqcIOData/AqueousSolution.h
@@ -45,11 +45,12 @@ struct Component
struct AqueousSolution
{
- AqueousSolution(double temperature_, double pressure_,
- MeshLib::PropertyVector<double>* pe_, double const pe0_,
- std::vector<Component>&& components_,
+ AqueousSolution(bool const fixing_pe_, double temperature_,
+ double pressure_, MeshLib::PropertyVector<double>* pe_,
+ double const pe0_, std::vector<Component>&& components_,
ChargeBalance charge_balance_)
- : temperature(temperature_),
+ : fixing_pe(fixing_pe_),
+ temperature(temperature_),
pressure(pressure_),
pe(pe_),
pe0(pe0_),
@@ -60,6 +61,7 @@ struct AqueousSolution
void print(std::ostream& os, std::size_t const chemical_system_id) const;
+ bool const fixing_pe;
double const temperature;
double const pressure;
std::unique_ptr<GlobalVector> pH;
diff --git a/ChemistryLib/PhreeqcIOData/CreateAqueousSolution.cpp b/ChemistryLib/PhreeqcIOData/CreateAqueousSolution.cpp
index 2392d48af05..0ff8d94c96a 100644
--- a/ChemistryLib/PhreeqcIOData/CreateAqueousSolution.cpp
+++ b/ChemistryLib/PhreeqcIOData/CreateAqueousSolution.cpp
@@ -23,6 +23,9 @@ namespace PhreeqcIOData
std::unique_ptr<AqueousSolution> createAqueousSolution(
BaseLib::ConfigTree const& config, MeshLib::Mesh& mesh)
{
+ //! \ogs_file_attr{prj__chemical_system__solution__fixing_pe}
+ auto const fixing_pe = config.getConfigAttribute<bool>("fixing_pe", false);
+
//! \ogs_file_param{prj__chemical_system__solution__temperature}
auto const temperature = config.getConfigParameter<double>("temperature");
@@ -39,8 +42,9 @@ std::unique_ptr<AqueousSolution> createAqueousSolution(
auto charge_balance = createChargeBalance(config);
- return std::make_unique<AqueousSolution>(
- temperature, pressure, pe, pe0, std::move(components), charge_balance);
+ return std::make_unique<AqueousSolution>(fixing_pe, temperature, pressure,
+ pe, pe0, std::move(components),
+ charge_balance);
}
} // namespace PhreeqcIOData
} // namespace ChemistryLib
--
GitLab