From b0d6f00d8e7c39a2408d63b446518ad6fb8dbd2c Mon Sep 17 00:00:00 2001
From: renchao_lu <renchao.lu@gmail.com>
Date: Mon, 16 Sep 2019 13:41:11 +0200
Subject: [PATCH] [CL] Dropped time step size setter.
---
ChemistryLib/ChemicalSolverInterface.h | 2 --
ChemistryLib/PhreeqcIO.cpp | 7 +++----
ChemistryLib/PhreeqcIO.h | 10 +++++++---
ChemistryLib/PhreeqcKernel.h | 4 ++--
4 files changed, 12 insertions(+), 11 deletions(-)
diff --git a/ChemistryLib/ChemicalSolverInterface.h b/ChemistryLib/ChemicalSolverInterface.h
index 9cce87bddf3..457b0ada10e 100644
--- a/ChemistryLib/ChemicalSolverInterface.h
+++ b/ChemistryLib/ChemicalSolverInterface.h
@@ -20,8 +20,6 @@ public:
virtual void doWaterChemistryCalculation(
std::vector<GlobalVector*>& process_solutions, double const dt) = 0;
- virtual void setTimeStepSize(double const dt) = 0;
-
virtual ~ChemicalSolverInterface() = default;
};
} // namespace ChemistryLib
diff --git a/ChemistryLib/PhreeqcIO.cpp b/ChemistryLib/PhreeqcIO.cpp
index 9bdb14e7da8..dd838877b30 100644
--- a/ChemistryLib/PhreeqcIO.cpp
+++ b/ChemistryLib/PhreeqcIO.cpp
@@ -87,9 +87,8 @@ void PhreeqcIO::doWaterChemistryCalculation(
{
setAqueousSolutionsOrUpdateProcessSolutions(
process_solutions, Status::SettingAqueousSolutions);
- setTimeStepSize(dt);
- writeInputsToFile();
+ writeInputsToFile(dt);
execute();
@@ -175,7 +174,7 @@ void PhreeqcIO::setAqueousSolutionsOrUpdateProcessSolutions(
}
}
-void PhreeqcIO::writeInputsToFile()
+void PhreeqcIO::writeInputsToFile(double const dt)
{
DBUG("Writing phreeqc inputs into file '%s'.", _phreeqc_input_file.c_str());
std::ofstream out(_phreeqc_input_file, std::ofstream::out);
@@ -186,7 +185,7 @@ void PhreeqcIO::writeInputsToFile()
_phreeqc_input_file.c_str());
}
- out << *this;
+ out << (*this << dt);
if (!out)
{
diff --git a/ChemistryLib/PhreeqcIO.h b/ChemistryLib/PhreeqcIO.h
index ca931b88821..f150bfd6989 100644
--- a/ChemistryLib/PhreeqcIO.h
+++ b/ChemistryLib/PhreeqcIO.h
@@ -51,9 +51,7 @@ public:
std::vector<GlobalVector*> const& process_solutions,
Status const status);
- void setTimeStepSize(double const dt) override { _dt = dt; }
-
- void writeInputsToFile();
+ void writeInputsToFile(double const dt);
void execute();
@@ -67,6 +65,12 @@ public:
std::string const _phreeqc_input_file;
private:
+ PhreeqcIO& operator<<(int dt)
+ {
+ _dt = dt;
+ return *this;
+ }
+
std::string const _database;
std::vector<AqueousSolution> _aqueous_solutions;
std::vector<EquilibriumPhase> _equilibrium_phases;
diff --git a/ChemistryLib/PhreeqcKernel.h b/ChemistryLib/PhreeqcKernel.h
index 1d92991908f..2443af96cac 100644
--- a/ChemistryLib/PhreeqcKernel.h
+++ b/ChemistryLib/PhreeqcKernel.h
@@ -47,8 +47,6 @@ public:
void setAqueousSolutions(
std::vector<GlobalVector*> const& process_solutions);
- void setTimeStepSize(double const dt) override;
-
void execute(std::vector<GlobalVector*>& process_solutions);
void updateNodalProcessSolutions(
@@ -70,6 +68,8 @@ private:
return strcmp(element, "H") == 0 ? true : false;
}
+ void setTimeStepSize(double const dt);
+
std::map<int, struct master*> _process_id_to_master_map;
cxxISolution _initial_aqueous_solution;
std::vector<ReactionRate> const _reaction_rates;
--
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