ChemistryLib::PhreeqcIOData::AqueousSolution Struct Reference

Detailed Description

Definition at line 46 of file AqueousSolution.h.

#include <AqueousSolution.h>

Collaboration diagram for ChemistryLib::PhreeqcIOData::AqueousSolution:

Public Member Functions
	AqueousSolution (bool const fixing_pe_, double temperature_, double pressure_, MeshLib::PropertyVector< double > *pe_, double const pe0_, std::vector< Component > &&components_, ChargeBalance charge_balance_)
void	print (std::ostream &os, std::size_t const chemical_system_id) const

Public Attributes
bool const	fixing_pe
double const	temperature
double const	pressure
std::unique_ptr< GlobalVector >	pH
MeshLib::PropertyVector< double > *	pe
double const	pe0
std::vector< Component >	components
ChargeBalance const	charge_balance

Constructor & Destructor Documentation

AqueousSolution()

ChemistryLib::PhreeqcIOData::AqueousSolution::AqueousSolution ( bool const fixing_pe_, double temperature_, double pressure_, MeshLib::PropertyVector< double > * pe_, double const pe0_, std::vector< Component > && components_, ChargeBalance charge_balance_ )

inline

Definition at line 48 of file AqueousSolution.h.

        : fixing_pe(fixing_pe_),
          temperature(temperature_),
          pressure(pressure_),
          pe(pe_),
          pe0(pe0_),
          components(std::move(components_)),
          charge_balance(charge_balance_)
    {
    }

Member Function Documentation

print()

void ChemistryLib::PhreeqcIOData::AqueousSolution::print	(	std::ostream &	os,
		std::size_t const	chemical_system_id ) const

Definition at line 24 of file AqueousSolution.cpp.

{
    os << "temp " << temperature << "\n";
 
    os << "pressure " << pressure << "\n";
 
    MathLib::LinAlg::setLocalAccessibleVector(*pH);
    switch (charge_balance)
    {
        case ChargeBalance::pH:
            os << "pH " << -std::log10((*pH)[chemical_system_id]) << " charge"
               << "\n";
            os << "pe " << (*pe)[chemical_system_id] << "\n";
            break;
        case ChargeBalance::pe:
            os << "pH " << -std::log10((*pH)[chemical_system_id]) << "\n";
            os << "pe " << (*pe)[chemical_system_id] << " charge"
               << "\n";
            break;
        case ChargeBalance::Unspecified:
            os << "pH " << -std::log10((*pH)[chemical_system_id]) << "\n";
            os << "pe " << (*pe)[chemical_system_id] << "\n";
            break;
    }
 
    os << "units mol/kgw\n";
 
    for (auto const& component : components)
    {
        MathLib::LinAlg::setLocalAccessibleVector(*component.amount);
        os << component.name << " " << (*component.amount)[chemical_system_id];
        component.chemical_formula.empty()
            ? os << "\n"
            : os << " as " << component.chemical_formula << "\n";
    }
 
    os << "\n\n";
}

References charge_balance, components, ChemistryLib::pe, ChemistryLib::pH, pH, pressure, MathLib::LinAlg::setLocalAccessibleVector(), temperature, and ChemistryLib::Unspecified.

Member Data Documentation

charge_balance

ChargeBalance const ChemistryLib::PhreeqcIOData::AqueousSolution::charge_balance

Definition at line 73 of file AqueousSolution.h.

Referenced by print().

components

std::vector<Component> ChemistryLib::PhreeqcIOData::AqueousSolution::components

Definition at line 72 of file AqueousSolution.h.

Referenced by print(), and ChemistryLib::PhreeqcIOData::anonymous_namespace{PhreeqcIO.cpp}::setAqueousSolution().

fixing_pe

bool const ChemistryLib::PhreeqcIOData::AqueousSolution::fixing_pe

When this option is enabled, the pe value will be fixed over time by adding or removing atmospheric oxygen.

Definition at line 66 of file AqueousSolution.h.

pe

MeshLib::PropertyVector<double>* ChemistryLib::PhreeqcIOData::AqueousSolution::pe

Definition at line 70 of file AqueousSolution.h.

pe0

double const ChemistryLib::PhreeqcIOData::AqueousSolution::pe0

Definition at line 71 of file AqueousSolution.h.

pH

std::unique_ptr<GlobalVector> ChemistryLib::PhreeqcIOData::AqueousSolution::pH

Definition at line 69 of file AqueousSolution.h.

Referenced by print(), and ChemistryLib::PhreeqcIOData::anonymous_namespace{PhreeqcIO.cpp}::setAqueousSolution().

pressure

double const ChemistryLib::PhreeqcIOData::AqueousSolution::pressure

Definition at line 68 of file AqueousSolution.h.

Referenced by print().

temperature

double const ChemistryLib::PhreeqcIOData::AqueousSolution::temperature

Definition at line 67 of file AqueousSolution.h.

Referenced by print().

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The documentation for this struct was generated from the following files:

• ChemistryLib/PhreeqcIOData/AqueousSolution.h
• ChemistryLib/PhreeqcIOData/AqueousSolution.cpp