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
 npoints The number of points in the field. partition The 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
 i The index of the field point. scalar The chemical scalar to be set at the i-th point. sensitivity The equilibrium sensitivity at the i-th point.

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