From 01218ac7707cad106ae09e50f614878173a326b6 Mon Sep 17 00:00:00 2001
From: renchao_lu <renchao.lu@gmail.com>
Date: Sun, 31 May 2020 18:44:54 +0200
Subject: [PATCH] [CL] Get component list.
---
ChemistryLib/ChemicalSolverInterface.h | 5 +++++
ChemistryLib/PhreeqcIO.cpp | 13 +++++++++++++
ChemistryLib/PhreeqcIO.h | 2 ++
3 files changed, 20 insertions(+)
diff --git a/ChemistryLib/ChemicalSolverInterface.h b/ChemistryLib/ChemicalSolverInterface.h
index 80f1bd607f5..96cf73c504b 100644
--- a/ChemistryLib/ChemicalSolverInterface.h
+++ b/ChemistryLib/ChemicalSolverInterface.h
@@ -23,6 +23,11 @@ public:
virtual void doWaterChemistryCalculation(
std::vector<GlobalVector*>& process_solutions, double const dt) = 0;
+ virtual std::vector<std::string> const getComponentList() const
+ {
+ return {};
+ }
+
virtual ~ChemicalSolverInterface() = default;
};
} // namespace ChemistryLib
diff --git a/ChemistryLib/PhreeqcIO.cpp b/ChemistryLib/PhreeqcIO.cpp
index 8f6999744f2..cb6088a50e7 100644
--- a/ChemistryLib/PhreeqcIO.cpp
+++ b/ChemistryLib/PhreeqcIO.cpp
@@ -543,5 +543,18 @@ std::istream& operator>>(std::istream& in, PhreeqcIO& phreeqc_io)
return in;
}
+
+std::vector<std::string> const PhreeqcIO::getComponentList() const
+{
+ std::vector<std::string> component_names;
+ auto const& components = _aqueous_solutions.front().components;
+ std::transform(components.begin(), components.end(),
+ std::back_inserter(component_names),
+ [](auto const& c) { return c.name; });
+
+ component_names.push_back("H");
+
+ return component_names;
+}
} // namespace PhreeqcIOData
} // namespace ChemistryLib
diff --git a/ChemistryLib/PhreeqcIO.h b/ChemistryLib/PhreeqcIO.h
index 2db34efab46..1835c743aa7 100644
--- a/ChemistryLib/PhreeqcIO.h
+++ b/ChemistryLib/PhreeqcIO.h
@@ -77,6 +77,8 @@ public:
friend std::istream& operator>>(std::istream& in, PhreeqcIO& phreeqc_io);
+ std::vector<std::string> const getComponentList() const override;
+
std::string const _phreeqc_input_file;
private:
--
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