From 070a32c42aaacd878a6c8d775fd5ef6d671572e1 Mon Sep 17 00:00:00 2001
From: renchao_lu <renchao.lu@gmail.com>
Date: Tue, 9 Jun 2020 21:03:51 +0200
Subject: [PATCH] [CL] Store initial amount of reactants.
---
ChemistryLib/PhreeqcIOData/CreateEquilibriumReactants.cpp | 2 +-
ChemistryLib/PhreeqcIOData/CreateKineticReactant.cpp | 1 +
ChemistryLib/PhreeqcIOData/EquilibriumReactant.h | 3 +++
ChemistryLib/PhreeqcIOData/KineticReactant.h | 3 +++
4 files changed, 8 insertions(+), 1 deletion(-)
diff --git a/ChemistryLib/PhreeqcIOData/CreateEquilibriumReactants.cpp b/ChemistryLib/PhreeqcIOData/CreateEquilibriumReactants.cpp
index 01084a919f1..ab6bc617fbf 100644
--- a/ChemistryLib/PhreeqcIOData/CreateEquilibriumReactants.cpp
+++ b/ChemistryLib/PhreeqcIOData/CreateEquilibriumReactants.cpp
@@ -55,7 +55,7 @@ std::vector<EquilibriumReactant> createEquilibriumReactants(
1);
equilibrium_reactants.emplace_back(
- std::move(name), amount, saturation_index);
+ std::move(name), amount, initial_amount, saturation_index);
}
return equilibrium_reactants;
diff --git a/ChemistryLib/PhreeqcIOData/CreateKineticReactant.cpp b/ChemistryLib/PhreeqcIOData/CreateKineticReactant.cpp
index 1d3af1d9068..7a7ad888628 100644
--- a/ChemistryLib/PhreeqcIOData/CreateKineticReactant.cpp
+++ b/ChemistryLib/PhreeqcIOData/CreateKineticReactant.cpp
@@ -71,6 +71,7 @@ std::vector<KineticReactant> createKineticReactants(
kinetic_reactants.emplace_back(std::move(name),
std::move(chemical_formula),
amount,
+ initial_amount,
std::move(parameters),
fix_amount);
}
diff --git a/ChemistryLib/PhreeqcIOData/EquilibriumReactant.h b/ChemistryLib/PhreeqcIOData/EquilibriumReactant.h
index 2926f0319fb..d15aa0605fe 100644
--- a/ChemistryLib/PhreeqcIOData/EquilibriumReactant.h
+++ b/ChemistryLib/PhreeqcIOData/EquilibriumReactant.h
@@ -30,9 +30,11 @@ struct EquilibriumReactant
{
EquilibriumReactant(std::string name_,
MeshLib::PropertyVector<double>* amount_,
+ double const initial_amount_,
double saturation_index_)
: name(std::move(name_)),
amount(amount_),
+ initial_amount(initial_amount_),
saturation_index(saturation_index_)
{
}
@@ -41,6 +43,7 @@ struct EquilibriumReactant
std::string const name;
MeshLib::PropertyVector<double>* amount;
+ double const initial_amount;
double const saturation_index;
static const ItemType item_type = ItemType::EquilibriumReactant;
};
diff --git a/ChemistryLib/PhreeqcIOData/KineticReactant.h b/ChemistryLib/PhreeqcIOData/KineticReactant.h
index 4b659dc8bd5..1141683e84d 100644
--- a/ChemistryLib/PhreeqcIOData/KineticReactant.h
+++ b/ChemistryLib/PhreeqcIOData/KineticReactant.h
@@ -27,11 +27,13 @@ struct KineticReactant
KineticReactant(std::string name_,
std::string chemical_formula_,
MeshLib::PropertyVector<double>* amount_,
+ double const initial_amount_,
std::vector<double>&& parameters_,
bool const fix_amount_)
: name(std::move(name_)),
chemical_formula(std::move(chemical_formula_)),
amount(amount_),
+ initial_amount(initial_amount_),
parameters(std::move(parameters_)),
fix_amount(fix_amount_)
{
@@ -42,6 +44,7 @@ struct KineticReactant
std::string const name;
std::string const chemical_formula;
MeshLib::PropertyVector<double>* amount;
+ double const initial_amount;
std::vector<double> const parameters;
bool const fix_amount;
static const ItemType item_type = ItemType::KineticReactant;
--
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