Reaktoro 
A unified framework for modeling chemically reactive systems
Reaktoro::ChemicalField Class Reference

Detailed Description

A type that contains the values of a scalar field and its derivatives.

#include <ChemicalField.hpp>

Public Member Functions

 ChemicalField ()
 Construct a default ChemicalField instance.
 
 ChemicalField (const Partition &partition, Index npoints)
 Construct a ChemicalField instance with given chemical system partition. More...
 
 ChemicalField (const ChemicalField &other)
 Construct a copy of a ChemicalField instance.
 
virtual ~ChemicalField ()
 Destroy this instance.
 
auto operator= (ChemicalField other) -> ChemicalField &
 Construct a copy of a ChemicalField instance.
 
auto set (Index i, const ChemicalScalar &scalar, const EquilibriumSensitivity &sensitivity) -> void
 Set the field at the i-th point with a ChemicalScalar instance. More...
 
auto partition () const -> const Partition &
 Return the partition of the chemical system.
 
auto size () const -> Index
 Return the size of the chemical field.
 
auto val () -> Vector &
 Return a reference to the values of the chemical field.
 
auto val () const -> const Vector &
 Return a const reference to the values of the chemical field.
 
auto ddT () -> Vector &
 Return a reference to the derivatives w.r.t. temperature of the chemical field.
 
auto ddT () const -> const Vector &
 Return a const-reference to the derivatives w.r.t. temperature of the chemical field.
 
auto ddP () -> Vector &
 Return a reference to the derivatives w.r.t. pressure of the chemical field.
 
auto ddP () const -> const Vector &
 Return a const-reference to the derivatives w.r.t. pressure of the chemical field.
 
auto ddbe () -> std::vector< Vector > &
 Return a reference to the derivatives w.r.t. molar amounts of equilibrium elements of the chemical field.
 
auto ddbe () const -> const std::vector< Vector > &
 Return a const-reference to the derivatives w.r.t. molar amounts of equilibrium elements of the chemical field.
 
auto ddnk () -> std::vector< Vector > &
 Return a reference to the derivatives w.r.t. molar amounts of kinetic species of the chemical field.
 
auto ddnk () const -> const std::vector< Vector > &
 Return a const-reference to the derivatives w.r.t. molar amounts of kinetic species of the chemical field.
 

Constructor & Destructor Documentation

Reaktoro::ChemicalField::ChemicalField ( const Partition partition,
Index  npoints 
)

Construct a ChemicalField instance with given chemical system partition.

Parameters
npointsThe number of points in the field.
partitionThe partition of the chemical system.

Member Function Documentation

auto Reaktoro::ChemicalField::set ( Index  i,
const ChemicalScalar scalar,
const EquilibriumSensitivity sensitivity 
) -> void

Set the field at the i-th point with a ChemicalScalar instance.

Parameters
iThe index of the field point.
scalarThe chemical scalar to be set at the i-th point.
sensitivityThe equilibrium sensitivity at the i-th point.

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