From f8b4047ddfc1da2a2bf631690ce7ec95286daec1 Mon Sep 17 00:00:00 2001
From: renchao_lu <renchao.lu@gmail.com>
Date: Sat, 4 Jul 2020 12:06:51 +0200
Subject: [PATCH] [CL] Unit conversion for pH.
---
ChemistryLib/PhreeqcIO.cpp | 5 +++--
ChemistryLib/PhreeqcIOData/AqueousSolution.cpp | 7 ++++---
2 files changed, 7 insertions(+), 5 deletions(-)
diff --git a/ChemistryLib/PhreeqcIO.cpp b/ChemistryLib/PhreeqcIO.cpp
index b3e7bc22361..3cda89519f8 100644
--- a/ChemistryLib/PhreeqcIO.cpp
+++ b/ChemistryLib/PhreeqcIO.cpp
@@ -462,8 +462,9 @@ std::istream& operator>>(std::istream& in, PhreeqcIO& phreeqc_io)
case ItemType::pH:
{
// Update pH value
- aqueous_solution->pH->set(chemical_system_id,
- accepted_items[item_id]);
+ aqueous_solution->pH->set(
+ chemical_system_id,
+ std::pow(10, -accepted_items[item_id]));
break;
}
case ItemType::pe:
diff --git a/ChemistryLib/PhreeqcIOData/AqueousSolution.cpp b/ChemistryLib/PhreeqcIOData/AqueousSolution.cpp
index 5d80ad50234..8a2d213c4e2 100644
--- a/ChemistryLib/PhreeqcIOData/AqueousSolution.cpp
+++ b/ChemistryLib/PhreeqcIOData/AqueousSolution.cpp
@@ -8,6 +8,7 @@
*
*/
+#include <cmath>
#include <ostream>
#include "AqueousSolution.h"
@@ -28,17 +29,17 @@ void AqueousSolution::print(std::ostream& os,
switch (charge_balance)
{
case ChargeBalance::pH:
- os << "pH " << (*pH)[chemical_system_id] << " charge"
+ os << "pH " << -std::log10((*pH)[chemical_system_id]) << " charge"
<< "\n";
os << "pe " << (*pe)[chemical_system_id] << "\n";
break;
case ChargeBalance::pe:
- os << "pH " << (*pH)[chemical_system_id] << "\n";
+ os << "pH " << -std::log10((*pH)[chemical_system_id]) << "\n";
os << "pe " << (*pe)[chemical_system_id] << " charge"
<< "\n";
break;
case ChargeBalance::Unspecified:
- os << "pH " << (*pH)[chemical_system_id] << "\n";
+ os << "pH " << -std::log10((*pH)[chemical_system_id]) << "\n";
os << "pe " << (*pe)[chemical_system_id] << "\n";
break;
}
--
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