[CL] Extract create aqueous solution function.

ChemistryLib/CreatePhreeqcIO.cpp

@@ -15,6 +15,7 @@
 #include "CreatePhreeqcIO.h"
 #include "PhreeqcIO.h"
 #include "PhreeqcIOData/AqueousSolution.h"
+#include "PhreeqcIOData/CreateAqueousSolution.h"
 #include "PhreeqcIOData/EquilibriumPhase.h"
 #include "PhreeqcIOData/KineticReactant.h"
 #include "PhreeqcIOData/ReactionRate.h"

ChemistryLib/PhreeqcIOData/AqueousSolution.cpp

@@ -10,73 +10,9 @@
 #include <fstream>
 
 #include "AqueousSolution.h"
-#include "BaseLib/ConfigTreeUtil.h"
 
 namespace ChemistryLib
 {
-AqueousSolution createAqueousSolution(BaseLib::ConfigTree const& config)
-{
-    //! \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");
-
-    //! \ogs_file_param{prj__chemical_system__solution__components}
-    auto comp_config = config.getConfigSubtree("components");
-
-    std::vector<Component> components;
-    for (
-        auto const& component_name :
-        //! \ogs_file_param{prj__chemical_system__solution__components__component}
-        comp_config.getConfigParameterList<std::string>("component"))
-    {
-        components.emplace_back(component_name);
-    }
-
-    // conversion the variable 'means_of_adjusting_charge' from std::string to
-    // enumerate class.
-    auto const means_of_adjusting_charge_in_str =
-        //! \ogs_file_param{prj__chemical_system__solution__means_of_adjusting_charge}
-        config.getConfigParameterOptional<std::string>(
-            "means_of_adjusting_charge");
-
-    MeansOfAdjustingCharge means_of_adjusting_charge;
-    if (means_of_adjusting_charge_in_str)
-    {
-        if (*means_of_adjusting_charge_in_str == "pH")
-        {
-            means_of_adjusting_charge = MeansOfAdjustingCharge::pH;
-        }
-        else if (*means_of_adjusting_charge_in_str == "pe")
-        {
-            means_of_adjusting_charge = MeansOfAdjustingCharge::pe;
-        }
-        else
-        {
-            OGS_FATAL(
-                "Error in specifying means of adjusting charge. Achieving "
-                "charge balance is currently supported with the way of "
-                "adjusting pH value or pe value.");
-        }
-    }
-    else
-    {
-        means_of_adjusting_charge = MeansOfAdjustingCharge::Unspecified;
-    }
-
-    AqueousSolution aqueous_solution(temperature,
-                                     pressure,
-                                     pe,
-                                     std::move(components),
-                                     means_of_adjusting_charge);
-
-    return aqueous_solution;
-}
-
 std::ofstream& operator<<(std::ofstream& out,
                           AqueousSolution const& aqueous_solution)
 {

ChemistryLib/PhreeqcIOData/AqueousSolution.h

@@ -9,18 +9,10 @@
 
 #pragma once
 
-#include <boost/optional/optional.hpp>
 #include <iosfwd>
 #include <string>
 #include <vector>
 
-#include "BaseLib/Error.h"
-
-namespace BaseLib
-{
-class ConfigTree;
-}
-
 namespace ChemistryLib
 {
 struct Component
@@ -63,6 +55,4 @@ struct AqueousSolution
     std::vector<Component> components;
     MeansOfAdjustingCharge const means_of_adjusting_charge;
 };
-
-AqueousSolution createAqueousSolution(BaseLib::ConfigTree const& config);
 }  // namespace ChemistryLib

ChemistryLib/PhreeqcIOData/CreateAqueousSolution.cpp

+/**
+ * \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 "BaseLib/Error.h"
+
+namespace ChemistryLib
+{
+AqueousSolution createAqueousSolution(BaseLib::ConfigTree const& config)
+{
+    //! \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");
+
+    //! \ogs_file_param{prj__chemical_system__solution__components}
+    auto comp_config = config.getConfigSubtree("components");
+
+    std::vector<Component> components;
+    for (
+        auto const& component_name :
+        //! \ogs_file_param{prj__chemical_system__solution__components__component}
+        comp_config.getConfigParameterList<std::string>("component"))
+    {
+        components.emplace_back(component_name);
+    }
+
+    // conversion the variable 'means_of_adjusting_charge' from std::string to
+    // enumerate class.
+    auto const means_of_adjusting_charge_in_str =
+        //! \ogs_file_param{prj__chemical_system__solution__means_of_adjusting_charge}
+        config.getConfigParameterOptional<std::string>(
+            "means_of_adjusting_charge");
+
+    MeansOfAdjustingCharge means_of_adjusting_charge;
+    if (means_of_adjusting_charge_in_str)
+    {
+        if (*means_of_adjusting_charge_in_str == "pH")
+        {
+            means_of_adjusting_charge = MeansOfAdjustingCharge::pH;
+        }
+        else if (*means_of_adjusting_charge_in_str == "pe")
+        {
+            means_of_adjusting_charge = MeansOfAdjustingCharge::pe;
+        }
+        else
+        {
+            OGS_FATAL(
+                "Error in specifying means of adjusting charge. Achieving "
+                "charge balance is currently supported with the way of "
+                "adjusting pH value or pe value.");
+        }
+    }
+    else
+    {
+        means_of_adjusting_charge = MeansOfAdjustingCharge::Unspecified;
+    }
+
+    return {temperature, pressure, pe, std::move(components),
+            means_of_adjusting_charge};
+}
+}  // namespace ChemistryLib

ChemistryLib/PhreeqcIOData/CreateAqueousSolution.h

+/**
+ * \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
+
+namespace BaseLib
+{
+class ConfigTree;
+}
+
+namespace ChemistryLib
+{
+struct AqueousSolution;
+}
+
+namespace ChemistryLib
+{
+AqueousSolution createAqueousSolution(BaseLib::ConfigTree const& config);
+}  // namespace ChemistryLib