From 157f90a577be144dc8343eadcc2d5426432f7e9d Mon Sep 17 00:00:00 2001
From: renchao_lu <renchao.lu@gmail.com>
Date: Sat, 2 Jan 2021 20:05:08 +0100
Subject: [PATCH] [CL] Drop interpolated solution.
---
ChemistryLib/ChemicalSolverInterface.h | 7 ++-----
ChemistryLib/PhreeqcIO.cpp | 8 +++-----
ChemistryLib/PhreeqcIO.h | 7 ++-----
ChemistryLib/PhreeqcKernel.cpp | 7 ++-----
ChemistryLib/PhreeqcKernel.h | 7 ++-----
.../ComponentTransport/ComponentTransportProcess.cpp | 6 ++----
6 files changed, 13 insertions(+), 29 deletions(-)
diff --git a/ChemistryLib/ChemicalSolverInterface.h b/ChemistryLib/ChemicalSolverInterface.h
index 2a50dc04b59..a1a6eb1f66e 100644
--- a/ChemistryLib/ChemicalSolverInterface.h
+++ b/ChemistryLib/ChemicalSolverInterface.h
@@ -37,12 +37,9 @@ public:
{
}
- virtual void executeInitialCalculation(
- std::vector<GlobalVector> const& interpolated_process_solutions) = 0;
+ virtual void executeInitialCalculation() = 0;
- virtual void doWaterChemistryCalculation(
- std::vector<GlobalVector> const& interpolated_process_solutions,
- double const dt) = 0;
+ virtual void doWaterChemistryCalculation(double const dt) = 0;
virtual std::vector<GlobalVector*> getIntPtProcessSolutions() const = 0;
diff --git a/ChemistryLib/PhreeqcIO.cpp b/ChemistryLib/PhreeqcIO.cpp
index d1515e5d244..13d4116cd37 100644
--- a/ChemistryLib/PhreeqcIO.cpp
+++ b/ChemistryLib/PhreeqcIO.cpp
@@ -163,11 +163,11 @@ void PhreeqcIO::initializeChemicalSystemConcrete(
}
}
-void PhreeqcIO::executeInitialCalculation(
- std::vector<GlobalVector> const& interpolated_process_solutions)
{
setAqueousSolution(interpolated_process_solutions);
+void PhreeqcIO::executeInitialCalculation()
+{
writeInputsToFile();
execute();
@@ -191,9 +191,7 @@ std::vector<GlobalVector*> PhreeqcIO::getIntPtProcessSolutions() const
return int_pt_process_solutions;
}
-void PhreeqcIO::doWaterChemistryCalculation(
- std::vector<GlobalVector> const& interpolated_process_solutions,
- double const dt)
+void PhreeqcIO::doWaterChemistryCalculation(double const dt)
{
setAqueousSolution(interpolated_process_solutions);
diff --git a/ChemistryLib/PhreeqcIO.h b/ChemistryLib/PhreeqcIO.h
index f0eacf1b730..cd9ae0e6f97 100644
--- a/ChemistryLib/PhreeqcIO.h
+++ b/ChemistryLib/PhreeqcIO.h
@@ -52,13 +52,10 @@ public:
ParameterLib::SpatialPosition const& pos,
double const t) override;
- void executeInitialCalculation(std::vector<GlobalVector> const&
- interpolated_process_solutions) override;
- void doWaterChemistryCalculation(
- std::vector<GlobalVector> const& interpolated_process_solutions,
- double const dt) override;
+ void executeInitialCalculation() override;
+ void doWaterChemistryCalculation(double const dt) override;
void setAqueousSolution(
std::vector<GlobalVector> const& interpolated_process_solutions);
diff --git a/ChemistryLib/PhreeqcKernel.cpp b/ChemistryLib/PhreeqcKernel.cpp
index 9dfdc88ecfe..8091d800c8a 100644
--- a/ChemistryLib/PhreeqcKernel.cpp
+++ b/ChemistryLib/PhreeqcKernel.cpp
@@ -169,9 +169,7 @@ void PhreeqcKernel::reinitializeRates()
};
}
-void PhreeqcKernel::doWaterChemistryCalculation(
- std::vector<GlobalVector> const& /*interpolated_process_solutions*/,
- double const dt)
+void PhreeqcKernel::doWaterChemistryCalculation(double const dt)
{
std::vector<GlobalVector*> process_solutions;
@@ -325,8 +323,7 @@ void PhreeqcKernel::reset(std::size_t const chemical_system_id)
}
}
-void PhreeqcKernel::executeInitialCalculation(
- std::vector<GlobalVector> const& /*interpolated_process_solutions*/)
+void PhreeqcKernel::executeInitialCalculation()
{
// TODO (Renchao): This function could be replaced with
// PhreeqcKernel::doWaterChemistryCalculation(std::vector<GlobalVector*>&
diff --git a/ChemistryLib/PhreeqcKernel.h b/ChemistryLib/PhreeqcKernel.h
index edd232a07f1..54ad8427094 100644
--- a/ChemistryLib/PhreeqcKernel.h
+++ b/ChemistryLib/PhreeqcKernel.h
@@ -41,12 +41,9 @@ public:
std::unique_ptr<Kinetics>&& kinetic_reactants,
std::vector<ReactionRate>&& reaction_rates);
- void executeInitialCalculation(std::vector<GlobalVector> const&
- interpolated_process_solutions) override;
+ void executeInitialCalculation() override;
- void doWaterChemistryCalculation(
- std::vector<GlobalVector> const& interpolated_process_solutions,
- double const dt) override;
+ void doWaterChemistryCalculation(double const dt) override;
void setAqueousSolutions(
std::vector<GlobalVector*> const& process_solutions);
diff --git a/ProcessLib/ComponentTransport/ComponentTransportProcess.cpp b/ProcessLib/ComponentTransport/ComponentTransportProcess.cpp
index 26dc5200921..5037f7a70b0 100644
--- a/ProcessLib/ComponentTransport/ComponentTransportProcess.cpp
+++ b/ProcessLib/ComponentTransport/ComponentTransportProcess.cpp
@@ -127,8 +127,7 @@ void ComponentTransportProcess::setInitialConditionsConcreteProcess(
BaseLib::RunTime time_phreeqc;
time_phreeqc.start();
- _chemical_solver_interface->executeInitialCalculation(
- interpolateNodalValuesToIntegrationPoints(x));
+ _chemical_solver_interface->executeInitialCalculation();
extrapolateIntegrationPointValuesToNodes(
t, _chemical_solver_interface->getIntPtProcessSolutions(), x);
@@ -228,8 +227,7 @@ void ComponentTransportProcess::solveReactionEquation(
BaseLib::RunTime time_phreeqc;
time_phreeqc.start();
- _chemical_solver_interface->doWaterChemistryCalculation(
- interpolateNodalValuesToIntegrationPoints(x), dt);
+ _chemical_solver_interface->doWaterChemistryCalculation(dt);
extrapolateIntegrationPointValuesToNodes(
t, _chemical_solver_interface->getIntPtProcessSolutions(), x);
--
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