Detailed Description

Definition at line 25 of file KineticReactant.h.

#include <KineticReactant.h>

Collaboration diagram for ChemistryLib::PhreeqcIOData::KineticReactant:

Public Member Functions
	KineticReactant (std::string name_, std::string chemical_formula_, MeshLib::PropertyVector< double > molality_, MeshLib::PropertyVector< double > molality_prev_, MeshLib::PropertyVector< double > volume_fraction_, MeshLib::PropertyVector< double > volume_fraction_prev_, MeshLib::PropertyVector< double > *mesh_prop_molality_, std::vector< double > &&parameters_, bool const fix_amount_)
void	print (std::ostream &os, std::size_t const chemical_system_id) const

Public Attributes
std::string const	name
std::string const	chemical_formula
MeshLib::PropertyVector< double > *	molality
MeshLib::PropertyVector< double > *	molality_prev
MeshLib::PropertyVector< double > *	volume_fraction
MeshLib::PropertyVector< double > *	volume_fraction_prev
MeshLib::PropertyVector< double > *	mesh_prop_molality
std::vector< double > const	parameters
bool const	fix_amount

Static Public Attributes
static const ItemType	item_type = ItemType::KineticReactant

Constructor & Destructor Documentation

◆ KineticReactant()

ChemistryLib::PhreeqcIOData::KineticReactant::KineticReactant	(	std::string	name_,
		std::string	chemical_formula_,
		MeshLib::PropertyVector< double > *	molality_,
		MeshLib::PropertyVector< double > *	molality_prev_,
		MeshLib::PropertyVector< double > *	volume_fraction_,
		MeshLib::PropertyVector< double > *	volume_fraction_prev_,
		MeshLib::PropertyVector< double > *	mesh_prop_molality_,
		std::vector< double > &&	parameters_,
		bool const	fix_amount_ )

inline

Definition at line 27 of file KineticReactant.h.

        : name(std::move(name_)),
          chemical_formula(std::move(chemical_formula_)),
          molality(molality_),
          molality_prev(molality_prev_),
          volume_fraction(volume_fraction_),
          volume_fraction_prev(volume_fraction_prev_),
          mesh_prop_molality(mesh_prop_molality_),
          parameters(std::move(parameters_)),
          fix_amount(fix_amount_)
    {
    }

References chemical_formula, fix_amount, mesh_prop_molality, molality, molality_prev, name, parameters, volume_fraction, and volume_fraction_prev.

Member Function Documentation

◆ print()

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

Definition at line 19 of file KineticReactant.cpp.

{
    os << name << "\n";
 
    if (!chemical_formula.empty())
    {
        os << "-formula " << chemical_formula << "\n";
    }
 
    os << "-m  " << (*molality)[chemical_system_id] << "\n";
 
    os << "-parms " << (*molality)[chemical_system_id];
    for (auto const& parameter : parameters)
    {
        os << " " << parameter;
    }
    os << "\n";
}