From 3bd752c1362fadc28db13673b4a07908a2b1ac1f Mon Sep 17 00:00:00 2001
From: renchao_lu <renchao.lu@gmail.com>
Date: Sat, 13 Jul 2019 16:25:48 +0200
Subject: [PATCH] [CL] Updated data type of KineticReactant.amount.
---
.../PhreeqcIOData/CreateKineticReactant.cpp | 16 ++++++++++++++--
.../PhreeqcIOData/CreateKineticReactant.h | 10 ++++++++--
ChemistryLib/PhreeqcIOData/KineticReactant.h | 5 +++--
3 files changed, 25 insertions(+), 6 deletions(-)
diff --git a/ChemistryLib/PhreeqcIOData/CreateKineticReactant.cpp b/ChemistryLib/PhreeqcIOData/CreateKineticReactant.cpp
index ac9be9045e4..54d312c284a 100644
--- a/ChemistryLib/PhreeqcIOData/CreateKineticReactant.cpp
+++ b/ChemistryLib/PhreeqcIOData/CreateKineticReactant.cpp
@@ -7,13 +7,18 @@
*
*/
+#include <boost/optional/optional.hpp>
+
#include "BaseLib/ConfigTree.h"
+#include "CreateKineticReactant.h"
#include "KineticReactant.h"
+#include "MeshLib/Mesh.h"
namespace ChemistryLib
{
std::vector<KineticReactant> createKineticReactants(
- boost::optional<BaseLib::ConfigTree> const& config)
+ boost::optional<BaseLib::ConfigTree> const& config,
+ MeshLib::Mesh const& mesh)
{
if (!config)
{
@@ -43,9 +48,16 @@ std::vector<KineticReactant> createKineticReactants(
reactant_config.getConfigParameter<std::vector<double>>(
"parameters", {});
+ auto amount = MeshLib::getOrCreateMeshProperty<double>(
+ const_cast<MeshLib::Mesh&>(mesh),
+ name,
+ MeshLib::MeshItemType::Node,
+ 1);
+ std::fill(std::begin(*amount), std::end(*amount), initial_amount);
+
kinetic_reactants.emplace_back(std::move(name),
std::move(chemical_formula),
- initial_amount,
+ amount,
std::move(parameters));
}
diff --git a/ChemistryLib/PhreeqcIOData/CreateKineticReactant.h b/ChemistryLib/PhreeqcIOData/CreateKineticReactant.h
index 8aaa80ac9e7..65811f4b5b6 100644
--- a/ChemistryLib/PhreeqcIOData/CreateKineticReactant.h
+++ b/ChemistryLib/PhreeqcIOData/CreateKineticReactant.h
@@ -9,7 +9,7 @@
#pragma once
-#include <boost/optional/optional.hpp>
+#include <boost/optional/optional_fwd.hpp>
#include <vector>
namespace BaseLib
@@ -17,6 +17,11 @@ namespace BaseLib
class ConfigTree;
}
+namespace MeshLib
+{
+class Mesh;
+}
+
namespace ChemistryLib
{
struct KineticReactant;
@@ -25,5 +30,6 @@ struct KineticReactant;
namespace ChemistryLib
{
std::vector<KineticReactant> createKineticReactants(
- boost::optional<BaseLib::ConfigTree> const& config);
+ boost::optional<BaseLib::ConfigTree> const& config,
+ MeshLib::Mesh const& mesh);
} // namespace ChemistryLib
diff --git a/ChemistryLib/PhreeqcIOData/KineticReactant.h b/ChemistryLib/PhreeqcIOData/KineticReactant.h
index ed8a983c556..557582e1d36 100644
--- a/ChemistryLib/PhreeqcIOData/KineticReactant.h
+++ b/ChemistryLib/PhreeqcIOData/KineticReactant.h
@@ -15,6 +15,7 @@
#include <vector>
#include "ChemistryLib/Output.h"
+#include "MeshLib/PropertyVector.h"
namespace ChemistryLib
{
@@ -22,7 +23,7 @@ struct KineticReactant
{
KineticReactant(std::string&& name_,
std::string&& chemical_formula_,
- double amount_,
+ MeshLib::PropertyVector<double>* amount_,
std::vector<double>&& parameters_)
: name(std::move(name_)),
chemical_formula(std::move(chemical_formula_)),
@@ -36,7 +37,7 @@ struct KineticReactant
std::string const name;
std::string const chemical_formula;
- double amount;
+ MeshLib::PropertyVector<double>* amount;
std::vector<double> const parameters;
static const ItemType item_type = ItemType::KineticReactant;
};
--
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