diff --git a/Applications/ApplicationsLib/ProjectData.cpp b/Applications/ApplicationsLib/ProjectData.cpp
index 271658f238767fc5f606089acfc4fa4b89c5d59f..941013512b8231647c0a255f2ec4df893d7ad9f7 100644
--- a/Applications/ApplicationsLib/ProjectData.cpp
+++ b/Applications/ApplicationsLib/ProjectData.cpp
@@ -48,9 +48,6 @@
#ifdef OGS_BUILD_PROCESS_COMPONENTTRANSPORT
#include "ChemistryLib/CreateChemicalSolverInterface.h"
-// The ComponenTransportProcess is needed for the instantiation of the chemical
-// solver.
-#include "ProcessLib/ComponentTransport/ComponentTransportProcess.h"
#include "ProcessLib/ComponentTransport/CreateComponentTransportProcess.h"
#endif
#ifdef OGS_BUILD_PROCESS_STEADYSTATEDIFFUSION
@@ -331,6 +328,11 @@ ProjectData::ProjectData(BaseLib::ConfigTree const& project_config,
//! \ogs_file_param{prj__media}
parseMedia(project_config.getConfigSubtreeOptional("media"));
+ parseChemicalSolverInterface(
+ //! \ogs_file_param{prj__chemical_system}
+ project_config.getConfigSubtreeOptional("chemical_system"),
+ output_directory);
+
//! \ogs_file_param{prj__processes}
parseProcesses(project_config.getConfigSubtree("processes"),
project_directory, output_directory);
@@ -341,11 +343,6 @@ ProjectData::ProjectData(BaseLib::ConfigTree const& project_config,
//! \ogs_file_param{prj__nonlinear_solvers}
parseNonlinearSolvers(project_config.getConfigSubtree("nonlinear_solvers"));
- parseChemicalSolverInterface(
- //! \ogs_file_param{prj__chemical_system}
- project_config.getConfigSubtreeOptional("chemical_system"),
- output_directory);
-
//! \ogs_file_param{prj__time_loop}
parseTimeLoop(project_config.getConfigSubtree("time_loop"),
output_directory);
@@ -503,6 +500,60 @@ void ProjectData::parseMedia(
}
}
+void ProjectData::parseChemicalSolverInterface(
+ boost::optional<BaseLib::ConfigTree> const& config,
+ std::string const& output_directory)
+{
+ if (!config)
+ {
+ return;
+ }
+
+#ifdef OGS_BUILD_PROCESS_COMPONENTTRANSPORT
+ INFO(
+ "Ready for initializing interface to a chemical solver for water "
+ "chemistry calculation.");
+
+ auto const chemical_solver =
+ //! \ogs_file_attr{prj__chemical_system__chemical_solver}
+ config->getConfigAttribute<std::string>("chemical_solver");
+
+ if (boost::iequals(chemical_solver, "Phreeqc"))
+ {
+ INFO(
+ "Configuring phreeqc interface for water chemistry "
+ "calculation using file-based approach.");
+
+ _chemical_solver_interface =
+ ChemistryLib::createChemicalSolverInterface<
+ ChemistryLib::ChemicalSolver::Phreeqc>(_mesh_vec, *config,
+ output_directory);
+ }
+ else if (boost::iequals(chemical_solver, "PhreeqcKernel"))
+ {
+ OGS_FATAL(
+ "The chemical solver option of PhreeqcKernel is not accessible "
+ "for the time being. Please set 'Phreeqc'' as the chemical "
+ "solver for reactive transport modeling.");
+ }
+ else
+ {
+ OGS_FATAL(
+ "Unknown chemical solver. Please specify either Phreeqc or "
+ "PhreeqcKernel as the solver for water chemistry calculation "
+ "instead.");
+ }
+#else
+ (void)output_directory;
+
+ OGS_FATAL(
+ "Found the type of the process to be solved is not component transport "
+ "process. Please specify the process type to ComponentTransport. At "
+ "the present, water chemistry calculation is only available for "
+ "component transport process.");
+#endif
+}
+
void ProjectData::parseProcesses(BaseLib::ConfigTree const& processes_config,
std::string const& project_directory,
std::string const& output_directory)
@@ -675,7 +726,8 @@ void ProjectData::parseProcesses(BaseLib::ConfigTree const& processes_config,
ProcessLib::ComponentTransport::createComponentTransportProcess(
name, *_mesh_vec[0], std::move(jacobian_assembler),
_process_variables, _parameters, integration_order,
- process_config, _mesh_vec, output_directory, _media);
+ process_config, _mesh_vec, output_directory, _media,
+ _chemical_solver_interface);
}
else
#endif
@@ -1048,67 +1100,3 @@ void ProjectData::parseCurves(
"The curve name is not unique.");
}
}
-
-void ProjectData::parseChemicalSolverInterface(
- boost::optional<BaseLib::ConfigTree> const& config,
- std::string const& output_directory)
-{
- if (!config)
- {
- return;
- }
-
-#ifdef OGS_BUILD_PROCESS_COMPONENTTRANSPORT
- INFO(
- "Ready for initializing interface to a chemical solver for water "
- "chemistry calculation.");
-
- if (auto const* component_transport_process = dynamic_cast<
- 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");
-
- if (boost::iequals(chemical_solver, "Phreeqc"))
- {
- INFO(
- "Configuring phreeqc interface for water chemistry "
- "calculation using file-based approach.");
-
- _chemical_solver_interface =
- ChemistryLib::createChemicalSolverInterface<
- ChemistryLib::ChemicalSolver::Phreeqc>(
- _mesh_vec, process_id_to_component_name_map, *config,
- output_directory);
- }
- else if (boost::iequals(chemical_solver, "PhreeqcKernel"))
- {
- OGS_FATAL(
- "The chemical solver option of PhreeqcKernel is not accessible "
- "for the time being. Please set 'Phreeqc'' as the chemical "
- "solver for reactive transport modeling.");
- }
- else
- {
- OGS_FATAL(
- "Unknown chemical solver. Please specify either Phreeqc or "
- "PhreeqcKernel as the solver for water chemistry calculation "
- "instead.");
- }
- }
- else
-#endif
- {
- (void)output_directory;
-
- OGS_FATAL(
- "The specified type of the process to be solved is not component "
- "transport process so that water chemistry calculation could not "
- "be activated.");
- }
-}
diff --git a/ChemistryLib/ChemicalSolverInterface.h b/ChemistryLib/ChemicalSolverInterface.h
index 80f1bd607f5bb1a4e97b924fb87ac230ca3d5f19..96cf73c504b70953bda1e76b198ab2e834ded3c3 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/CreateChemicalSolverInterface.cpp b/ChemistryLib/CreateChemicalSolverInterface.cpp
index bd080a099725ebbb3fe135fdab51d898deca3636..7212fda32ab4c663ea10b9492a85469358048a1a 100644
--- a/ChemistryLib/CreateChemicalSolverInterface.cpp
+++ b/ChemistryLib/CreateChemicalSolverInterface.cpp
@@ -67,8 +67,6 @@ template <>
std::unique_ptr<ChemicalSolverInterface>
createChemicalSolverInterface<ChemicalSolver::Phreeqc>(
std::vector<std::unique_ptr<MeshLib::Mesh>> const& meshes,
- std::vector<std::pair<int, std::string>> const&
- process_id_to_component_name_map,
BaseLib::ConfigTree const& config, std::string const& output_directory)
{
auto mesh_name =
@@ -92,8 +90,7 @@ createChemicalSolverInterface<ChemicalSolver::Phreeqc>(
// solution
auto aqueous_solution = PhreeqcIOData::createAqueousSolution(
//! \ogs_file_param{prj__chemical_system__solution}
- config.getConfigSubtree("solution"),
- process_id_to_component_name_map);
+ config.getConfigSubtree("solution"));
// kinetic reactants
auto chemical_system_map =
@@ -158,21 +155,20 @@ createChemicalSolverInterface<ChemicalSolver::Phreeqc>(
std::move(path_to_database), std::move(aqueous_solutions),
std::move(equilibrium_reactants), std::move(kinetic_reactants),
std::move(reaction_rates), std::move(surface), std::move(user_punch),
- std::move(output), std::move(dump), std::move(knobs),
- process_id_to_component_name_map);
+ std::move(output), std::move(dump), std::move(knobs));
}
template <>
std::unique_ptr<ChemicalSolverInterface>
createChemicalSolverInterface<ChemicalSolver::PhreeqcKernel>(
std::vector<std::unique_ptr<MeshLib::Mesh>> const& meshes,
- std::vector<std::pair<int, std::string>> const&
- process_id_to_component_name_map,
BaseLib::ConfigTree const& config, std::string const& /*output_directory*/)
{
auto mesh = *meshes[0];
auto path_to_database = parseDatabasePath(config);
+ // TODO (renchao): remove mapping process id to component name.
+ std::vector<std::pair<int, std::string>> process_id_to_component_name_map;
// solution
auto aqueous_solution = PhreeqcKernelData::createAqueousSolution(
//! \ogs_file_param{prj__chemical_system__solution}
diff --git a/ChemistryLib/CreateChemicalSolverInterface.h b/ChemistryLib/CreateChemicalSolverInterface.h
index 39615caae60ad081f0a419148ac9dbe6ca607f4e..16af2b92eb996e8a55ca271b25fdf85e13126b0e 100644
--- a/ChemistryLib/CreateChemicalSolverInterface.h
+++ b/ChemistryLib/CreateChemicalSolverInterface.h
@@ -33,7 +33,5 @@ class ChemicalSolverInterface;
template <ChemicalSolver chemical_solver>
std::unique_ptr<ChemicalSolverInterface> createChemicalSolverInterface(
std::vector<std::unique_ptr<MeshLib::Mesh>> const& meshes,
- std::vector<std::pair<int, std::string>> const&
- process_id_to_component_name_map,
BaseLib::ConfigTree const& config, std::string const& output_directory);
} // namespace ChemistryLib
diff --git a/ChemistryLib/PhreeqcIO.cpp b/ChemistryLib/PhreeqcIO.cpp
index 1735c5f6104d2e184a425189429292daebaaad3c..cb6088a50e719a9712214df1d00c986d5412ac16 100644
--- a/ChemistryLib/PhreeqcIO.cpp
+++ b/ChemistryLib/PhreeqcIO.cpp
@@ -56,9 +56,7 @@ PhreeqcIO::PhreeqcIO(std::string const project_file_name,
std::unique_ptr<UserPunch>&& user_punch,
std::unique_ptr<Output>&& output,
std::unique_ptr<Dump>&& dump,
- Knobs&& knobs,
- std::vector<std::pair<int, std::string>> const&
- process_id_to_component_name_map)
+ Knobs&& knobs)
: _phreeqc_input_file(project_file_name + "_phreeqc.inp"),
_mesh(mesh),
_database(std::move(database)),
@@ -70,8 +68,7 @@ PhreeqcIO::PhreeqcIO(std::string const project_file_name,
_user_punch(std::move(user_punch)),
_output(std::move(output)),
_dump(std::move(dump)),
- _knobs(std::move(knobs)),
- _process_id_to_component_name_map(process_id_to_component_name_map)
+ _knobs(std::move(knobs))
{
// initialize phreeqc instance
if (CreateIPhreeqc() != phreeqc_instance_id)
@@ -159,61 +156,45 @@ void PhreeqcIO::setAqueousSolutionsOrUpdateProcessSolutions(
// Loop over transport process id map to retrieve component
// concentrations from process solutions or to update process solutions
// after chemical calculation by Phreeqc
- for (auto const& process_id_to_component_name_map_element :
- _process_id_to_component_name_map)
- {
- auto const& transport_process_id =
- process_id_to_component_name_map_element.first;
- auto const& transport_process_variable =
- process_id_to_component_name_map_element.second;
+ for (unsigned component_id = 0; component_id < components.size();
+ ++component_id)
+ {
+ auto& component = components[component_id];
auto& transport_process_solution =
- process_solutions[transport_process_id];
-
- auto component =
- std::find_if(components.begin(), components.end(),
- [&transport_process_variable](Component const& c) {
- return c.name == transport_process_variable;
- });
-
- if (component != components.end())
+ process_solutions[component_id + 1];
+ switch (status)
{
- switch (status)
- {
- case Status::SettingAqueousSolutions:
- // Set component concentrations.
- component->amount =
- transport_process_solution->get(global_id);
- break;
- case Status::UpdatingProcessSolutions:
- // Update solutions of component transport processes.
- transport_process_solution->set(global_id,
- component->amount);
- break;
- }
+ case Status::SettingAqueousSolutions:
+ // Set component concentrations.
+ component.amount =
+ transport_process_solution->get(global_id);
+ break;
+ case Status::UpdatingProcessSolutions:
+ // Update solutions of component transport processes.
+ transport_process_solution->set(global_id,
+ component.amount);
+ break;
}
+ }
- if (transport_process_variable == "H")
+ switch (status)
+ {
+ case Status::SettingAqueousSolutions:
{
- switch (status)
- {
- case Status::SettingAqueousSolutions:
- {
- // Set pH value by hydrogen concentration.
- aqueous_solution.pH = -std::log10(
- transport_process_solution->get(global_id));
- break;
- }
- case Status::UpdatingProcessSolutions:
- {
- // Update hydrogen concentration by pH value.
- auto hydrogen_concentration =
- std::pow(10, -aqueous_solution.pH);
- transport_process_solution->set(global_id,
- hydrogen_concentration);
- break;
- }
- }
+ // Set pH value by hydrogen concentration.
+ aqueous_solution.pH =
+ -std::log10(process_solutions.back()->get(global_id));
+ break;
+ }
+ case Status::UpdatingProcessSolutions:
+ {
+ // Update hydrogen concentration by pH value.
+ auto hydrogen_concentration =
+ std::pow(10, -aqueous_solution.pH);
+ process_solutions.back()->set(global_id,
+ hydrogen_concentration);
+ break;
}
}
}
@@ -562,5 +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 7bf70f58f5c55d86e9f0392066b04949c8cb7105..1835c743aa7eb2cbf69c9e35801f936ee9a35f0c 100644
--- a/ChemistryLib/PhreeqcIO.h
+++ b/ChemistryLib/PhreeqcIO.h
@@ -53,9 +53,7 @@ public:
std::unique_ptr<UserPunch>&& user_punch,
std::unique_ptr<Output>&& output,
std::unique_ptr<Dump>&& dump,
- Knobs&& knobs,
- std::vector<std::pair<int, std::string>> const&
- process_id_to_component_name_map);
+ Knobs&& knobs);
void executeInitialCalculation(
std::vector<GlobalVector*>& process_solutions) override;
@@ -79,6 +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:
@@ -101,8 +101,6 @@ private:
std::unique_ptr<Output> const _output;
std::unique_ptr<Dump> const _dump;
Knobs const _knobs;
- std::vector<std::pair<int, std::string>> const&
- _process_id_to_component_name_map;
double _dt = std::numeric_limits<double>::quiet_NaN();
const int phreeqc_instance_id = 0;
};
diff --git a/ChemistryLib/PhreeqcIOData/CreateAqueousSolution.cpp b/ChemistryLib/PhreeqcIOData/CreateAqueousSolution.cpp
index 907eea1885e199e67d732fb03a7525075dd4ba51..70a7e2c6157b7689adb68b372e72d35912731303 100644
--- a/ChemistryLib/PhreeqcIOData/CreateAqueousSolution.cpp
+++ b/ChemistryLib/PhreeqcIOData/CreateAqueousSolution.cpp
@@ -18,10 +18,7 @@ namespace ChemistryLib
{
namespace PhreeqcIOData
{
-AqueousSolution createAqueousSolution(
- BaseLib::ConfigTree const& config,
- std::vector<std::pair<int, std::string>> const&
- process_id_to_component_name_map)
+AqueousSolution createAqueousSolution(BaseLib::ConfigTree const& config)
{
//! \ogs_file_param{prj__chemical_system__solution__temperature}
auto const temperature = config.getConfigParameter<double>("temperature");
@@ -32,8 +29,7 @@ AqueousSolution createAqueousSolution(
//! \ogs_file_param{prj__chemical_system__solution__pe}
auto const pe = config.getConfigParameter<double>("pe");
- auto components =
- createSolutionComponents(config, process_id_to_component_name_map);
+ auto components = createSolutionComponents(config);
auto charge_balance = createChargeBalance(config);
diff --git a/ChemistryLib/PhreeqcIOData/CreateAqueousSolution.h b/ChemistryLib/PhreeqcIOData/CreateAqueousSolution.h
index 787d4196fb6055ed9b067d24189d4c002e09c870..8e0d680f276eca3a44bf227a0a6c7c9576db7a21 100644
--- a/ChemistryLib/PhreeqcIOData/CreateAqueousSolution.h
+++ b/ChemistryLib/PhreeqcIOData/CreateAqueousSolution.h
@@ -10,9 +10,6 @@
#pragma once
-#include <string>
-#include <vector>
-
namespace BaseLib
{
class ConfigTree;
@@ -24,9 +21,6 @@ namespace PhreeqcIOData
{
struct AqueousSolution;
-AqueousSolution createAqueousSolution(
- BaseLib::ConfigTree const& config,
- std::vector<std::pair<int, std::string>> const&
- process_id_to_component_name_map);
+AqueousSolution createAqueousSolution(BaseLib::ConfigTree const& config);
} // namespace PhreeqcIOData
} // namespace ChemistryLib
diff --git a/ChemistryLib/PhreeqcIOData/CreateSolutionComponent.cpp b/ChemistryLib/PhreeqcIOData/CreateSolutionComponent.cpp
index 66430c61ddb53168b54df85db3b10b331d9747e2..44c0fce8422b462bcd12a88f9489c4d39f877ce5 100644
--- a/ChemistryLib/PhreeqcIOData/CreateSolutionComponent.cpp
+++ b/ChemistryLib/PhreeqcIOData/CreateSolutionComponent.cpp
@@ -11,16 +11,13 @@
#include "CreateSolutionComponent.h"
#include "AqueousSolution.h"
#include "BaseLib/ConfigTree.h"
-#include "BaseLib/Error.h"
namespace ChemistryLib
{
namespace PhreeqcIOData
{
std::vector<Component> createSolutionComponents(
- BaseLib::ConfigTree const& config,
- std::vector<std::pair<int, std::string>> const&
- process_id_to_component_name_map)
+ BaseLib::ConfigTree const& config)
{
std::vector<Component> components;
//! \ogs_file_param{prj__chemical_system__solution__components}
@@ -33,34 +30,6 @@ std::vector<Component> createSolutionComponents(
components.emplace_back(component_name);
}
- for (auto const& component : components)
- {
- auto process_id_to_component_name_map_element = std::find_if(
- process_id_to_component_name_map.begin(),
- process_id_to_component_name_map.end(),
- [&component](std::pair<int, std::string> const& map_element) {
- return map_element.second == component.name;
- });
-
- if (process_id_to_component_name_map_element ==
- process_id_to_component_name_map.end())
- {
- OGS_FATAL(
- "Component {:s} given in <solution>/<components> is not found "
- "in "
- "specified coupled processes (see "
- "<process>/<process_variables>/<concentration>).",
- component.name);
- }
- }
- if (components.size() + 1 != process_id_to_component_name_map.size())
- {
- OGS_FATAL(
- "The number of components given in <solution>/<components> is not "
- "in line with the number of transport processes - 1 which stands "
- "for the transport process of hydrogen.");
- }
-
return components;
}
} // namespace PhreeqcIOData
diff --git a/ChemistryLib/PhreeqcIOData/CreateSolutionComponent.h b/ChemistryLib/PhreeqcIOData/CreateSolutionComponent.h
index 66151c5d67103eb5d178bc31c735785389cfbbf4..417450e9dac2319acd7b65572483082a49ecefb1 100644
--- a/ChemistryLib/PhreeqcIOData/CreateSolutionComponent.h
+++ b/ChemistryLib/PhreeqcIOData/CreateSolutionComponent.h
@@ -10,7 +10,6 @@
#pragma once
-#include <string>
#include <vector>
namespace BaseLib
@@ -25,8 +24,6 @@ namespace PhreeqcIOData
struct Component;
std::vector<Component> createSolutionComponents(
- BaseLib::ConfigTree const& config,
- std::vector<std::pair<int, std::string>> const&
- process_id_to_component_name_map);
+ BaseLib::ConfigTree const& config);
} // namespace PhreeqcIOData
} // namespace ChemistryLib
diff --git a/ProcessLib/ComponentTransport/ComponentTransportProcess.cpp b/ProcessLib/ComponentTransport/ComponentTransportProcess.cpp
index d1f4734ce81edcd019c23685801ed7210236510f..ff56013ff93d07e7d41e5466a9195679fb239165 100644
--- a/ProcessLib/ComponentTransport/ComponentTransportProcess.cpp
+++ b/ProcessLib/ComponentTransport/ComponentTransportProcess.cpp
@@ -31,15 +31,12 @@ ComponentTransportProcess::ComponentTransportProcess(
ComponentTransportProcessData&& process_data,
SecondaryVariableCollection&& secondary_variables,
bool const use_monolithic_scheme,
- std::unique_ptr<ProcessLib::SurfaceFluxData>&& surfaceflux,
- std::vector<std::pair<int, std::string>>&& process_id_to_component_name_map)
+ std::unique_ptr<ProcessLib::SurfaceFluxData>&& surfaceflux)
: Process(std::move(name), mesh, std::move(jacobian_assembler), parameters,
integration_order, std::move(process_variables),
std::move(secondary_variables), use_monolithic_scheme),
_process_data(std::move(process_data)),
- _surfaceflux(std::move(surfaceflux)),
- _process_id_to_component_name_map(
- std::move(process_id_to_component_name_map))
+ _surfaceflux(std::move(surfaceflux))
{
}
diff --git a/ProcessLib/ComponentTransport/ComponentTransportProcess.h b/ProcessLib/ComponentTransport/ComponentTransportProcess.h
index f6ea2388c45fae3acb17837dde0dd31ef742fd6b..8b5f300935f5723185844a75d33d80b34413e79d 100644
--- a/ProcessLib/ComponentTransport/ComponentTransportProcess.h
+++ b/ProcessLib/ComponentTransport/ComponentTransportProcess.h
@@ -102,9 +102,7 @@ public:
ComponentTransportProcessData&& process_data,
SecondaryVariableCollection&& secondary_variables,
bool const use_monolithic_scheme,
- std::unique_ptr<ProcessLib::SurfaceFluxData>&& surfaceflux,
- std::vector<std::pair<int, std::string>>&&
- process_id_to_component_name_map);
+ std::unique_ptr<ProcessLib::SurfaceFluxData>&& surfaceflux);
//! \name ODESystem interface
//! @{
@@ -116,12 +114,6 @@ public:
MathLib::Point3d const& p, double const t,
std::vector<GlobalVector*> const& x) const override;
- std::vector<std::pair<int, std::string>> const&
- getProcessIDToComponentNameMap() const
- {
- return _process_id_to_component_name_map;
- }
-
void setCoupledTermForTheStaggeredSchemeToLocalAssemblers(
int const process_id) override;
@@ -164,9 +156,6 @@ private:
std::vector<std::unique_ptr<GlobalVector>> _xs_previous_timestep;
std::unique_ptr<ProcessLib::SurfaceFluxData> _surfaceflux;
-
- std::vector<std::pair<int, std::string>> const
- _process_id_to_component_name_map;
};
} // namespace ComponentTransport
diff --git a/ProcessLib/ComponentTransport/CreateComponentTransportProcess.cpp b/ProcessLib/ComponentTransport/CreateComponentTransportProcess.cpp
index f754242db7695ff8297eaf4a88a637016000f2ad..8ffb248530d06c67e4701c48a1d629a633a1972a 100644
--- a/ProcessLib/ComponentTransport/CreateComponentTransportProcess.cpp
+++ b/ProcessLib/ComponentTransport/CreateComponentTransportProcess.cpp
@@ -10,6 +10,7 @@
#include "CreateComponentTransportProcess.h"
+#include "ChemistryLib/ChemicalSolverInterface.h"
#include "MaterialLib/MPL/CreateMaterialSpatialDistributionMap.h"
#include "MeshLib/IO/readMeshFromFile.h"
#include "ProcessLib/Output/CreateSecondaryVariables.h"
@@ -18,6 +19,7 @@
#include "ComponentTransportProcess.h"
#include "ComponentTransportProcessData.h"
+
namespace ProcessLib
{
namespace ComponentTransport
@@ -81,7 +83,9 @@ std::unique_ptr<Process> createComponentTransportProcess(
BaseLib::ConfigTree const& config,
std::vector<std::unique_ptr<MeshLib::Mesh>> const& meshes,
std::string const& output_directory,
- std::map<int, std::shared_ptr<MaterialPropertyLib::Medium>> const& media)
+ std::map<int, std::shared_ptr<MaterialPropertyLib::Medium>> const& media,
+ std::unique_ptr<ChemistryLib::ChemicalSolverInterface> const&
+ chemical_solver_interface)
{
//! \ogs_file_param{prj__processes__process__type}
config.checkConfigParameter("type", "ComponentTransport");
@@ -128,7 +132,6 @@ std::unique_ptr<Process> createComponentTransportProcess(
it->get().getNumberOfComponents());
}
- std::vector<std::pair<int, std::string>> process_id_to_component_name_map;
// Allocate the collected process variables into a two-dimensional vector,
// depending on what scheme is adopted
if (use_monolithic_scheme) // monolithic scheme.
@@ -140,20 +143,51 @@ std::unique_ptr<Process> createComponentTransportProcess(
std::vector<std::reference_wrapper<ProcessLib::ProcessVariable>>
per_process_variable;
- for (auto& pv : collected_process_variables)
+ if (!chemical_solver_interface)
{
- per_process_variable.emplace_back(pv);
- process_variables.push_back(std::move(per_process_variable));
+ for (auto& pv : collected_process_variables)
+ {
+ per_process_variable.emplace_back(pv);
+ process_variables.push_back(std::move(per_process_variable));
+ }
}
-
- auto variable_id = 0;
- for (unsigned process_id = 1; process_id < process_variables.size();
- process_id++)
+ else
{
- auto const& transport_process_variable =
- process_variables[process_id][variable_id].get().getName();
- process_id_to_component_name_map.emplace_back(
- process_id, transport_process_variable);
+ auto sort_by_component = [&per_process_variable,
+ collected_process_variables](
+ auto const& c_name) {
+ auto pv = std::find_if(collected_process_variables.begin(),
+ collected_process_variables.end(),
+ [&c_name](auto const& v) -> bool {
+ return v.get().getName() == c_name;
+ });
+
+ if (pv == collected_process_variables.end())
+ {
+ OGS_FATAL(
+ "Component {:s} given in "
+ "<chemical_system>/<solution>/"
+ "<components> is not found in specified "
+ "coupled processes (see "
+ "<process>/<process_variables>/"
+ "<concentration>).",
+ c_name);
+ }
+
+ per_process_variable.emplace_back(*pv);
+ return std::move(per_process_variable);
+ };
+
+ auto const components =
+ chemical_solver_interface->getComponentList();
+ // pressure
+ per_process_variable.emplace_back(collected_process_variables[0]);
+ process_variables.push_back(std::move(per_process_variable));
+ // concentration
+ assert(components.size() + 1 == collected_process_variables.size());
+ std::transform(components.begin(), components.end(),
+ std::back_inserter(process_variables),
+ sort_by_component);
}
}
@@ -212,8 +246,7 @@ std::unique_ptr<Process> createComponentTransportProcess(
std::move(name), mesh, std::move(jacobian_assembler), parameters,
integration_order, std::move(process_variables),
std::move(process_data), std::move(secondary_variables),
- use_monolithic_scheme, std::move(surfaceflux),
- std::move(process_id_to_component_name_map));
+ use_monolithic_scheme, std::move(surfaceflux));
}
} // namespace ComponentTransport
diff --git a/ProcessLib/ComponentTransport/CreateComponentTransportProcess.h b/ProcessLib/ComponentTransport/CreateComponentTransportProcess.h
index 2fe8a2f395103fef857b6cd4ec0363df4290561b..c52a8d3e33a328ef33f544cb8b46a01b79eb7db4 100644
--- a/ProcessLib/ComponentTransport/CreateComponentTransportProcess.h
+++ b/ProcessLib/ComponentTransport/CreateComponentTransportProcess.h
@@ -18,6 +18,11 @@ namespace MaterialPropertyLib
class Medium;
}
+namespace ChemistryLib
+{
+class ChemicalSolverInterface;
+}
+
namespace ProcessLib
{
namespace ComponentTransport
@@ -32,7 +37,8 @@ std::unique_ptr<Process> createComponentTransportProcess(
BaseLib::ConfigTree const& config,
std::vector<std::unique_ptr<MeshLib::Mesh>> const& meshes,
std::string const& output_directory,
- std::map<int, std::shared_ptr<MaterialPropertyLib::Medium>> const& media);
-
+ std::map<int, std::shared_ptr<MaterialPropertyLib::Medium>> const& media,
+ std::unique_ptr<ChemistryLib::ChemicalSolverInterface> const&
+ chemical_solver_interface);
} // namespace ComponentTransport
} // namespace ProcessLib