From 182df9724f4d8e911c7c828aa39d616d80301f70 Mon Sep 17 00:00:00 2001
From: renchao_lu <renchao.lu@gmail.com>
Date: Sat, 13 Jul 2019 16:31:01 +0200
Subject: [PATCH] [CL] Updated KineticReactant output.
---
ChemistryLib/PhreeqcIO.cpp | 8 +++++---
ChemistryLib/PhreeqcIOData/KineticReactant.cpp | 18 ++++++++----------
ChemistryLib/PhreeqcIOData/KineticReactant.h | 3 +--
3 files changed, 14 insertions(+), 15 deletions(-)
diff --git a/ChemistryLib/PhreeqcIO.cpp b/ChemistryLib/PhreeqcIO.cpp
index 05f942f6376..14d99194946 100644
--- a/ChemistryLib/PhreeqcIO.cpp
+++ b/ChemistryLib/PhreeqcIO.cpp
@@ -220,12 +220,14 @@ std::ostream& operator<<(std::ostream& os, PhreeqcIO const& phreeqc_io)
os << equilibrium_phases << "\n";
}
- auto const& kinetic_reactants =
- phreeqc_io._kinetic_reactants[chemical_system_id];
+ auto const& kinetic_reactants = phreeqc_io._kinetic_reactants;
if (!kinetic_reactants.empty())
{
os << "KINETICS " << chemical_system_id + 1 << "\n";
- os << kinetic_reactants;
+ for (auto const& kinetic_reactant : kinetic_reactants)
+ {
+ kinetic_reactant.print(os, chemical_system_id);
+ }
os << "-steps " << phreeqc_io._dt << "\n" << "\n";
}
diff --git a/ChemistryLib/PhreeqcIOData/KineticReactant.cpp b/ChemistryLib/PhreeqcIOData/KineticReactant.cpp
index 8f2ab34fd52..f2d7402139b 100644
--- a/ChemistryLib/PhreeqcIOData/KineticReactant.cpp
+++ b/ChemistryLib/PhreeqcIOData/KineticReactant.cpp
@@ -13,28 +13,26 @@
namespace ChemistryLib
{
-std::ostream& operator<<(std::ostream& os,
- KineticReactant const& kinetic_reactant)
+void KineticReactant::print(std::ostream& os,
+ std::size_t const chemical_system_id) const
{
- os << kinetic_reactant.name << "\n";
+ os << name << "\n";
- if (!kinetic_reactant.chemical_formula.empty())
+ if (!chemical_formula.empty())
{
- os << "-formula " << kinetic_reactant.chemical_formula << "\n";
+ os << "-formula " << chemical_formula << "\n";
}
- os << "-m " << kinetic_reactant.amount << "\n";
+ os << "-m " << (*amount)[chemical_system_id] << "\n";
- if (!kinetic_reactant.parameters.empty())
+ if (!parameters.empty())
{
os << "-parms";
- for (auto const& parameter : kinetic_reactant.parameters)
+ for (auto const& parameter : parameters)
{
os << " " << parameter;
}
os << "\n";
}
-
- return os;
}
} // namespace ChemistryLib
diff --git a/ChemistryLib/PhreeqcIOData/KineticReactant.h b/ChemistryLib/PhreeqcIOData/KineticReactant.h
index 557582e1d36..dc993e2f31d 100644
--- a/ChemistryLib/PhreeqcIOData/KineticReactant.h
+++ b/ChemistryLib/PhreeqcIOData/KineticReactant.h
@@ -32,8 +32,7 @@ struct KineticReactant
{
}
- friend std::ostream& operator<<(std::ostream& os,
- KineticReactant const& kinetic_reactant);
+ void print(std::ostream& os, std::size_t const chemical_system_id) const;
std::string const name;
std::string const chemical_formula;
--
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