From 6373c0dece2dd4eee7890ee78e5670be01832fc3 Mon Sep 17 00:00:00 2001
From: renchao_lu <renchao.lu@gmail.com>
Date: Fri, 30 Aug 2019 18:37:01 +0200
Subject: [PATCH] [AP|PL] Replace with chemical solver interface instead.
---
Applications/ApplicationsLib/ProjectData.cpp | 27 +++++++++++++++-----
Applications/ApplicationsLib/ProjectData.h | 2 +-
ProcessLib/CreateTimeLoop.cpp | 2 +-
ProcessLib/CreateTimeLoop.h | 4 +--
ProcessLib/TimeLoop.cpp | 17 ++++++------
ProcessLib/TimeLoop.h | 7 ++---
6 files changed, 37 insertions(+), 22 deletions(-)
diff --git a/Applications/ApplicationsLib/ProjectData.cpp b/Applications/ApplicationsLib/ProjectData.cpp
index 41d92566837..b09ef6e79f8 100644
--- a/Applications/ApplicationsLib/ProjectData.cpp
+++ b/Applications/ApplicationsLib/ProjectData.cpp
@@ -39,7 +39,7 @@
#include "ProcessLib/DeactivatedSubdomain.h"
// PhreeqcIO
-#include "ChemistryLib/CreatePhreeqcIO.h"
+#include "ChemistryLib/CreateChemicalSolverInterface.h"
#include "ProcessLib/ComponentTransport/ComponentTransportProcess.h"
// FileIO
@@ -1032,6 +1032,9 @@ void ProjectData::parseChemicalSystem(
ProcessLib::ComponentTransport::ComponentTransportProcess const*>(
_processes[0].get()))
{
+ auto const& process_id_to_component_name_map =
+ component_transport_process->getProcessIDToComponentNameMap();
+
auto const chemical_solver =
//! \ogs_file_attr{prj__chemical_system__chemical_solver}
config->getConfigAttribute<std::string>("chemical_solver");
@@ -1040,20 +1043,30 @@ void ProjectData::parseChemicalSystem(
{
INFO(
"Configuring phreeqc interface for water chemistry "
- "calculation.");
+ "calculation using file-based approach.");
- auto const& process_id_to_component_name_map =
- component_transport_process->getProcessIDToComponentNameMap();
+ _chemical_system = ChemistryLib::createChemicalSolverInterface<
+ ChemistryLib::ChemicalSolver::Phreeqc>(
+ *_mesh_vec[0], process_id_to_component_name_map, *config,
+ output_directory);
+ }
+ else if (boost::iequals(chemical_solver, "PhreeqcKernel"))
+ {
+ INFO(
+ "Configuring phreeqc interface for water chemistry "
+ "calculation by direct memory access.");
- _chemical_system = ChemistryLib::createPhreeqcIO(
+ _chemical_system = ChemistryLib::createChemicalSolverInterface<
+ ChemistryLib::ChemicalSolver::PhreeqcKernel>(
*_mesh_vec[0], process_id_to_component_name_map, *config,
output_directory);
}
else
{
OGS_FATAL(
- "Unknown chemical solver. Please specify Phreeqc as the solver "
- "for water chemistry calculation instead.");
+ "Unknown chemical solver. Please specify either Phreeqc or "
+ "PhreeqcKernel as the solver for water chemistry calculation "
+ "instead.");
}
}
else
diff --git a/Applications/ApplicationsLib/ProjectData.h b/Applications/ApplicationsLib/ProjectData.h
index 43f52ba86bf..356f8d4990b 100644
--- a/Applications/ApplicationsLib/ProjectData.h
+++ b/Applications/ApplicationsLib/ProjectData.h
@@ -139,5 +139,5 @@ private:
std::unique_ptr<MathLib::PiecewiseLinearInterpolation>>
_curves;
- std::unique_ptr<ChemistryLib::PhreeqcIO> _chemical_system;
+ std::unique_ptr<ChemistryLib::ChemicalSolverInterface> _chemical_system;
};
diff --git a/ProcessLib/CreateTimeLoop.cpp b/ProcessLib/CreateTimeLoop.cpp
index 595bffdee4c..225c9f05a9a 100644
--- a/ProcessLib/CreateTimeLoop.cpp
+++ b/ProcessLib/CreateTimeLoop.cpp
@@ -25,7 +25,7 @@ std::unique_ptr<TimeLoop> createTimeLoop(
const std::map<std::string, std::unique_ptr<NumLib::NonlinearSolverBase>>&
nonlinear_solvers,
std::vector<std::unique_ptr<MeshLib::Mesh>> const& meshes,
- std::unique_ptr<ChemistryLib::PhreeqcIO>& phreeqc_io)
+ std::unique_ptr<ChemistryLib::ChemicalSolverInterface>& phreeqc_io)
{
auto const& coupling_config
//! \ogs_file_param{prj__time_loop__global_process_coupling}
diff --git a/ProcessLib/CreateTimeLoop.h b/ProcessLib/CreateTimeLoop.h
index a19dd65a701..70abe09c277 100644
--- a/ProcessLib/CreateTimeLoop.h
+++ b/ProcessLib/CreateTimeLoop.h
@@ -32,7 +32,7 @@ class NonlinearSolverBase;
namespace ChemistryLib
{
-class PhreeqcIO;
+class ChemicalSolverInterface;
}
namespace ProcessLib
@@ -50,6 +50,6 @@ std::unique_ptr<TimeLoop> createTimeLoop(
std::map<std::string, std::unique_ptr<NumLib::NonlinearSolverBase>> const&
nonlinear_solvers,
std::vector<std::unique_ptr<MeshLib::Mesh>> const& meshes,
- std::unique_ptr<ChemistryLib::PhreeqcIO>& phreeqc_io);
+ std::unique_ptr<ChemistryLib::ChemicalSolverInterface>& phreeqc_io);
} // namespace ProcessLib
diff --git a/ProcessLib/TimeLoop.cpp b/ProcessLib/TimeLoop.cpp
index b6cba4a41ad..6bf4a9944d9 100644
--- a/ProcessLib/TimeLoop.cpp
+++ b/ProcessLib/TimeLoop.cpp
@@ -12,7 +12,7 @@
#include "BaseLib/Error.h"
#include "BaseLib/RunTime.h"
-#include "ChemistryLib/CreatePhreeqcIO.h"
+#include "ChemistryLib/ChemicalSolverInterface.h"
#include "MathLib/LinAlg/LinAlg.h"
#include "NumLib/ODESolver/ConvergenceCriterionPerComponent.h"
#include "NumLib/ODESolver/TimeDiscretizedODESystem.h"
@@ -207,13 +207,14 @@ NumLib::NonlinearSolverStatus solveOneTimeStepOneProcess(
return nonlinear_solver_status;
}
-TimeLoop::TimeLoop(std::unique_ptr<Output>&& output,
- std::vector<std::unique_ptr<ProcessData>>&& per_process_data,
- const int global_coupling_max_iterations,
- std::vector<std::unique_ptr<NumLib::ConvergenceCriterion>>&&
- global_coupling_conv_crit,
- std::unique_ptr<ChemistryLib::PhreeqcIO>&& chemical_system,
- const double start_time, const double end_time)
+TimeLoop::TimeLoop(
+ std::unique_ptr<Output>&& output,
+ std::vector<std::unique_ptr<ProcessData>>&& per_process_data,
+ const int global_coupling_max_iterations,
+ std::vector<std::unique_ptr<NumLib::ConvergenceCriterion>>&&
+ global_coupling_conv_crit,
+ std::unique_ptr<ChemistryLib::ChemicalSolverInterface>&& chemical_system,
+ const double start_time, const double end_time)
: _output(std::move(output)),
_per_process_data(std::move(per_process_data)),
_start_time(start_time),
diff --git a/ProcessLib/TimeLoop.h b/ProcessLib/TimeLoop.h
index c0b75efe426..184d87d852c 100644
--- a/ProcessLib/TimeLoop.h
+++ b/ProcessLib/TimeLoop.h
@@ -28,7 +28,7 @@ class ConvergenceCriterion;
namespace ChemistryLib
{
-class PhreeqcIO;
+class ChemicalSolverInterface;
}
namespace ProcessLib
@@ -44,7 +44,8 @@ public:
const int global_coupling_max_iterations,
std::vector<std::unique_ptr<NumLib::ConvergenceCriterion>>&&
global_coupling_conv_crit,
- std::unique_ptr<ChemistryLib::PhreeqcIO>&& chemical_system,
+ std::unique_ptr<ChemistryLib::ChemicalSolverInterface>&&
+ chemical_system,
const double start_time, const double end_time);
void initialize();
@@ -124,7 +125,7 @@ private:
std::vector<std::unique_ptr<NumLib::ConvergenceCriterion>>
_global_coupling_conv_crit;
- std::unique_ptr<ChemistryLib::PhreeqcIO> _chemical_system;
+ std::unique_ptr<ChemistryLib::ChemicalSolverInterface> _chemical_system;
/**
* Vector of solutions of the coupled processes.
* Each vector element stores the references of the solution vectors
--
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