From 16a306d22e0f131c053e21e94b59c4de8b50ee7c Mon Sep 17 00:00:00 2001
From: renchao_lu <renchao.lu@gmail.com>
Date: Fri, 30 Aug 2019 18:23:29 +0200
Subject: [PATCH] [CL] Instantiate object of Aqueous Solution.

---
 .../PhreeqcKernelData/AqueousSolution.cpp     | 27 +++++++++++++
 .../PhreeqcKernelData/AqueousSolution.h       | 29 ++++++++++++++
 .../CreateAqueousSolution.cpp                 | 39 +++++++++++++++++++
 .../PhreeqcKernelData/CreateAqueousSolution.h | 31 +++++++++++++++
 4 files changed, 126 insertions(+)
 create mode 100644 ChemistryLib/PhreeqcKernelData/AqueousSolution.cpp
 create mode 100644 ChemistryLib/PhreeqcKernelData/AqueousSolution.h
 create mode 100644 ChemistryLib/PhreeqcKernelData/CreateAqueousSolution.cpp
 create mode 100644 ChemistryLib/PhreeqcKernelData/CreateAqueousSolution.h

diff --git a/ChemistryLib/PhreeqcKernelData/AqueousSolution.cpp b/ChemistryLib/PhreeqcKernelData/AqueousSolution.cpp
new file mode 100644
index 00000000000..7812b7be129
--- /dev/null
+++ b/ChemistryLib/PhreeqcKernelData/AqueousSolution.cpp
@@ -0,0 +1,27 @@
+/**
+ * \copyright
+ * Copyright (c) 2012-2019, OpenGeoSys Community (http://www.opengeosys.org)
+ *            Distributed under a Modified BSD License.
+ *              See accompanying file LICENSE.txt or
+ *              http://www.opengeosys.org/project/license
+ *
+ */
+
+#include "AqueousSolution.h"
+
+namespace ChemistryLib
+{
+namespace PhreeqcKernelData
+{
+AqueousSolution::AqueousSolution(double const temperature,
+                                 double const pressure, double const pe_value,
+                                 cxxISolution const& initial_aqueous_solution)
+{
+    new_def = true;
+    tc = temperature;
+    patm = pressure;
+    pe = pe_value;
+    initial_data = new cxxISolution(initial_aqueous_solution);
+}
+}  // namespace PhreeqcKernelData
+}  // namespace ChemistryLib
diff --git a/ChemistryLib/PhreeqcKernelData/AqueousSolution.h b/ChemistryLib/PhreeqcKernelData/AqueousSolution.h
new file mode 100644
index 00000000000..7737d5d6742
--- /dev/null
+++ b/ChemistryLib/PhreeqcKernelData/AqueousSolution.h
@@ -0,0 +1,29 @@
+/**
+ * \copyright
+ * Copyright (c) 2012-2019, OpenGeoSys Community (http://www.opengeosys.org)
+ *            Distributed under a Modified BSD License.
+ *              See accompanying file LICENSE.txt or
+ *              http://www.opengeosys.org/project/license
+ *
+ */
+
+#pragma once
+
+#include "ThirdParty/iphreeqc/src/src/phreeqcpp/common/phrqtype.h"
+#include "ThirdParty/iphreeqc/src/src/phreeqcpp/Solution.h"
+
+class cxxISolution;
+
+namespace ChemistryLib
+{
+namespace PhreeqcKernelData
+{
+class AqueousSolution final : public cxxSolution
+{
+public:
+    AqueousSolution(double const temperature, double const pressure,
+                    double const pe_value,
+                    cxxISolution const& initial_aqueous_solution);
+};
+}  // namespace PhreeqcKernelData
+}  // namespace ChemistryLib
diff --git a/ChemistryLib/PhreeqcKernelData/CreateAqueousSolution.cpp b/ChemistryLib/PhreeqcKernelData/CreateAqueousSolution.cpp
new file mode 100644
index 00000000000..93c34dbdc57
--- /dev/null
+++ b/ChemistryLib/PhreeqcKernelData/CreateAqueousSolution.cpp
@@ -0,0 +1,39 @@
+/**
+ * \copyright
+ * Copyright (c) 2012-2019, OpenGeoSys Community (http://www.opengeosys.org)
+ *            Distributed under a Modified BSD License.
+ *              See accompanying file LICENSE.txt or
+ *              http://www.opengeosys.org/project/license
+ *
+ */
+
+#include "AqueousSolution.h"
+#include "BaseLib/ConfigTree.h"
+#include "CreateInitialAqueousSolution.h"
+#include "InitialAqueousSolution.h"
+
+namespace ChemistryLib
+{
+namespace PhreeqcKernelData
+{
+AqueousSolution createAqueousSolution(
+    BaseLib::ConfigTree const& config,
+    std::vector<std::pair<int, std::string>> const&
+        process_id_to_component_name_map)
+{
+    //! \ogs_file_param{prj__chemical_system__solution__temperature}
+    auto const temperature = config.getConfigParameter<double>("temperature");
+
+    //! \ogs_file_param{prj__chemical_system__solution__pressure}
+    auto const pressure = config.getConfigParameter<double>("pressure");
+
+    //! \ogs_file_param{prj__chemical_system__solution__pe}
+    auto const pe = config.getConfigParameter<double>("pe");
+
+    auto const initial_aqueous_solution =
+        createInitialAqueousSolution(config, process_id_to_component_name_map);
+
+    return {temperature, pressure, pe, initial_aqueous_solution};
+}
+}  // namespace PhreeqcKernelData
+}  // namespace ChemistryLib
diff --git a/ChemistryLib/PhreeqcKernelData/CreateAqueousSolution.h b/ChemistryLib/PhreeqcKernelData/CreateAqueousSolution.h
new file mode 100644
index 00000000000..279714668e6
--- /dev/null
+++ b/ChemistryLib/PhreeqcKernelData/CreateAqueousSolution.h
@@ -0,0 +1,31 @@
+/**
+ * \copyright
+ * Copyright (c) 2012-2019, OpenGeoSys Community (http://www.opengeosys.org)
+ *            Distributed under a Modified BSD License.
+ *              See accompanying file LICENSE.txt or
+ *              http://www.opengeosys.org/project/license
+ *
+ */
+
+#pragma once
+
+#include <string>
+#include <vector>
+
+namespace BaseLib
+{
+class ConfigTree;
+}
+
+namespace ChemistryLib
+{
+namespace PhreeqcKernelData
+{
+class AqueousSolution;
+
+AqueousSolution createAqueousSolution(
+    BaseLib::ConfigTree const& config,
+    std::vector<std::pair<int, std::string>> const&
+        process_id_to_component_name_map);
+}  // namespace PhreeqcKernelData
+}  // namespace ChemistryLib
-- 
GitLab