From 1f9b6325243e4d3f09be5fceb538e69c93c61eba Mon Sep 17 00:00:00 2001
From: renchao_lu <renchao.lu@gmail.com>
Date: Tue, 22 Dec 2020 16:52:24 +0100
Subject: [PATCH] [PL] Move into solveReactionEquation.
---
.../ComponentTransportProcess.cpp | 25 +++++++++++++++++++
.../ComponentTransportProcess.h | 3 +++
ProcessLib/Process.h | 5 ++++
ProcessLib/TimeLoop.cpp | 19 +-------------
4 files changed, 34 insertions(+), 18 deletions(-)
diff --git a/ProcessLib/ComponentTransport/ComponentTransportProcess.cpp b/ProcessLib/ComponentTransport/ComponentTransportProcess.cpp
index 6736b76e350..d29078e8d83 100644
--- a/ProcessLib/ComponentTransport/ComponentTransportProcess.cpp
+++ b/ProcessLib/ComponentTransport/ComponentTransportProcess.cpp
@@ -197,6 +197,31 @@ void ComponentTransportProcess::
_local_assemblers, pv.getActiveElementIDs(), _coupled_solutions);
}
+void ComponentTransportProcess::solveReactionEquation(
+ std::vector<GlobalVector*>& x, double const t, double const dt)
+{
+ if (!_chemical_solver_interface)
+ {
+ return;
+ }
+
+ // Sequential non-iterative approach applied here to perform water
+ // chemistry calculation followed by resolving component transport
+ // process.
+ // TODO: move into a global loop to consider both mass balance over
+ // space and localized chemical equilibrium between solutes.
+ BaseLib::RunTime time_phreeqc;
+ time_phreeqc.start();
+
+ _chemical_solver_interface->doWaterChemistryCalculation(
+ interpolateNodalValuesToIntegrationPoints(x), dt);
+
+ extrapolateIntegrationPointValuesToNodes(
+ t, _chemical_solver_interface->getIntPtProcessSolutions(), x);
+
+ INFO("[time] Phreeqc took {:g} s.", time_phreeqc.elapsed());
+}
+
std::vector<GlobalVector>
ComponentTransportProcess::interpolateNodalValuesToIntegrationPoints(
std::vector<GlobalVector*> const& nodal_values_vectors) const
diff --git a/ProcessLib/ComponentTransport/ComponentTransportProcess.h b/ProcessLib/ComponentTransport/ComponentTransportProcess.h
index 873eed1e112..3f1a89caeeb 100644
--- a/ProcessLib/ComponentTransport/ComponentTransportProcess.h
+++ b/ProcessLib/ComponentTransport/ComponentTransportProcess.h
@@ -124,6 +124,9 @@ public:
void setCoupledTermForTheStaggeredSchemeToLocalAssemblers(
int const process_id) override;
+ void solveReactionEquation(std::vector<GlobalVector*>& x, double const t,
+ double const dt) override;
+
std::vector<GlobalVector> interpolateNodalValuesToIntegrationPoints(
std::vector<GlobalVector*> const& nodal_values_vectors) const override;
diff --git a/ProcessLib/Process.h b/ProcessLib/Process.h
index c01cf00daa5..ce4db97ebb0 100644
--- a/ProcessLib/Process.h
+++ b/ProcessLib/Process.h
@@ -179,6 +179,11 @@ public:
return Eigen::Vector3d{};
}
+ virtual void solveReactionEquation(std::vector<GlobalVector*>& /*x*/,
+ double const /*t*/, double const /*dt*/)
+ {
+ }
+
protected:
NumLib::Extrapolator& getExtrapolator() const
{
diff --git a/ProcessLib/TimeLoop.cpp b/ProcessLib/TimeLoop.cpp
index 3e232971801..b8114d76bcc 100644
--- a/ProcessLib/TimeLoop.cpp
+++ b/ProcessLib/TimeLoop.cpp
@@ -823,26 +823,9 @@ TimeLoop::solveCoupledEquationSystemsByStaggeredScheme(
timestep_id, t);
}
- if (_chemical_solver_interface)
{
- // Sequential non-iterative approach applied here to perform water
- // chemistry calculation followed by resolving component transport
- // process.
- // TODO: move into a global loop to consider both mass balance over
- // space and localized chemical equilibrium between solutes.
- BaseLib::RunTime time_phreeqc;
- time_phreeqc.start();
-
auto& pcs = _per_process_data[0]->process;
- _chemical_solver_interface->doWaterChemistryCalculation(
- pcs.interpolateNodalValuesToIntegrationPoints(_process_solutions),
- dt);
-
- pcs.extrapolateIntegrationPointValuesToNodes(
- t, _chemical_solver_interface->getIntPtProcessSolutions(),
- _process_solutions);
-
- INFO("[time] Phreeqc took {:g} s.", time_phreeqc.elapsed());
+ pcs.solveReactionEquation(_process_solutions, t, dt);
}
return nonlinear_solver_status;
--
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