From a6e98b13ffe22fc48c0010a5ca29d92ab3ed5615 Mon Sep 17 00:00:00 2001
From: renchao_lu <renchao.lu@gmail.com>
Date: Fri, 12 Mar 2021 01:15:30 +0100
Subject: [PATCH] [CL] Drop function executeInitialCalculation().
---
ChemistryLib/ChemicalSolverInterface.h | 2 --
ChemistryLib/PhreeqcIO.cpp | 13 ++-----------
ChemistryLib/PhreeqcIO.h | 2 --
ChemistryLib/PhreeqcKernel.cpp | 14 --------------
ChemistryLib/PhreeqcKernel.h | 2 --
.../ComponentTransportProcess.cpp | 2 +-
6 files changed, 3 insertions(+), 32 deletions(-)
diff --git a/ChemistryLib/ChemicalSolverInterface.h b/ChemistryLib/ChemicalSolverInterface.h
index ef6c1bbebfb..728f24b8872 100644
--- a/ChemistryLib/ChemicalSolverInterface.h
+++ b/ChemistryLib/ChemicalSolverInterface.h
@@ -50,8 +50,6 @@ public:
virtual void setAqueousSolutionsPrevFromDumpFile() {}
- virtual void executeInitialCalculation() = 0;
-
virtual void executeSpeciationCalculation(double const dt) = 0;
virtual std::vector<GlobalVector*> getIntPtProcessSolutions() const = 0;
diff --git a/ChemistryLib/PhreeqcIO.cpp b/ChemistryLib/PhreeqcIO.cpp
index f021763254c..b8bb8f797d9 100644
--- a/ChemistryLib/PhreeqcIO.cpp
+++ b/ChemistryLib/PhreeqcIO.cpp
@@ -275,9 +275,9 @@ void PhreeqcIO::setChemicalSystemConcrete(
}
}
-void PhreeqcIO::executeInitialCalculation()
+void PhreeqcIO::executeSpeciationCalculation(double const dt)
{
- writeInputsToFile();
+ writeInputsToFile(dt);
execute();
@@ -300,15 +300,6 @@ std::vector<GlobalVector*> PhreeqcIO::getIntPtProcessSolutions() const
return int_pt_process_solutions;
}
-void PhreeqcIO::executeSpeciationCalculation(double const dt)
-{
- writeInputsToFile(dt);
-
- execute();
-
- readOutputsFromFile();
-}
-
void PhreeqcIO::setAqueousSolutionsPrevFromDumpFile()
{
if (!_dump)
diff --git a/ChemistryLib/PhreeqcIO.h b/ChemistryLib/PhreeqcIO.h
index 168b6588935..f6f31d9c3c9 100644
--- a/ChemistryLib/PhreeqcIO.h
+++ b/ChemistryLib/PhreeqcIO.h
@@ -63,8 +63,6 @@ public:
void setAqueousSolutionsPrevFromDumpFile() override;
- void executeInitialCalculation() override;
-
void executeSpeciationCalculation(double const dt) override;
void writeInputsToFile(double const dt = 0);
diff --git a/ChemistryLib/PhreeqcKernel.cpp b/ChemistryLib/PhreeqcKernel.cpp
index 473a47290fe..81d84c6dcb2 100644
--- a/ChemistryLib/PhreeqcKernel.cpp
+++ b/ChemistryLib/PhreeqcKernel.cpp
@@ -324,20 +324,6 @@ void PhreeqcKernel::reset(std::size_t const chemical_system_id)
}
}
-void PhreeqcKernel::executeInitialCalculation()
-{
- // TODO (Renchao): This function could be replaced with
- // PhreeqcKernel::executeSpeciationCalculation(std::vector<GlobalVector*>&
- // process_solutions, double const dt).
- std::vector<GlobalVector*> process_solutions;
-
- setAqueousSolutions(process_solutions);
-
- setTimeStepSize(0);
-
- execute(process_solutions);
-}
-
void PhreeqcKernel::updateNodalProcessSolutions(
std::vector<GlobalVector*> const& process_solutions,
std::size_t const node_id)
diff --git a/ChemistryLib/PhreeqcKernel.h b/ChemistryLib/PhreeqcKernel.h
index e8fe4f6b248..08819d370d2 100644
--- a/ChemistryLib/PhreeqcKernel.h
+++ b/ChemistryLib/PhreeqcKernel.h
@@ -41,8 +41,6 @@ public:
std::unique_ptr<Kinetics>&& kinetic_reactants,
std::vector<ReactionRate>&& reaction_rates);
- void executeInitialCalculation() override;
-
void executeSpeciationCalculation(double const dt) override;
void setAqueousSolutions(
diff --git a/ProcessLib/ComponentTransport/ComponentTransportProcess.cpp b/ProcessLib/ComponentTransport/ComponentTransportProcess.cpp
index 02bb574341b..813e5d9494f 100644
--- a/ProcessLib/ComponentTransport/ComponentTransportProcess.cpp
+++ b/ProcessLib/ComponentTransport/ComponentTransportProcess.cpp
@@ -127,7 +127,7 @@ void ComponentTransportProcess::setInitialConditionsConcreteProcess(
BaseLib::RunTime time_phreeqc;
time_phreeqc.start();
- _chemical_solver_interface->executeInitialCalculation();
+ _chemical_solver_interface->executeSpeciationCalculation(0. /*dt*/);
extrapolateIntegrationPointValuesToNodes(
t, _chemical_solver_interface->getIntPtProcessSolutions(), x);
--
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