Reaktoro  v2.0.0
A unified framework for modeling chemically reactive systems
AqueousPhase Class Reference

The class used to configure an aqueous solution phase. More...

#include <Phases.hpp>

Collaboration diagram for AqueousPhase:
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Public Member Functions

 AqueousPhase ()
 Construct a default AqueousPhase object.
 
 AqueousPhase (const StringList &species)
 Construct an AqueousPhase object with given species names.
 
 AqueousPhase (Speciate elements)
 Construct an AqueousPhase object with given element symbols.
 
 AqueousPhase (Speciate elements, const Exclude &withtags)
 Construct an AqueousPhase object with given element symbols and tags indicating which species must be excluded from the final list.
 
 AqueousPhase (const Exclude &withtags)
 Construct an AqueousPhase object with tags indicating which species must be excluded from the final list.
 
auto initialize () -> void
 Initialize the default attributes of this AqueousPhase object.
 
- Public Member Functions inherited from GenericPhase
 GenericPhase ()
 Construct a default GenericPhase object.
 
 GenericPhase (const StringList &species)
 Construct a GenericPhase object with given species names.
 
 GenericPhase (const Speciate &elements)
 Construct a GenericPhase object with given element symbols.
 
 GenericPhase (const Speciate &elements, const Exclude &withtags)
 Construct a GenericPhase object with given element symbols excluding the species with provided tags.
 
 GenericPhase (const Exclude &withtags)
 Construct a GenericPhase object excluding the species with provided tags.
 
virtual ~GenericPhase ()
 Destroy this GenericPhase object.
 
auto setName (String name) -> GenericPhase &
 Set the unique name of the phase.
 
auto setStateOfMatter (StateOfMatter option) -> GenericPhase &
 Set the state of matter of the phase.
 
auto setAggregateState (AggregateState option) -> GenericPhase &
 Set the aggregate state of the species in the phase.
 
auto setAdditionalAggregateStates (const Vec< AggregateState > &options) -> GenericPhase &
 Set additional aggregate states to be considered when searching for species in a database.
 
auto setActivityModel (const ActivityModelGenerator &model) -> GenericPhase &
 Set the activity model of the phase.
 
auto setIdealActivityModel (const ActivityModelGenerator &model) -> GenericPhase &
 Set the ideal activity model of the phase.
 
auto named (String name) -> GenericPhase &
 Set a unique name of the phase (equivalent to GenericPhase::setName).
 
auto set (StateOfMatter option) -> GenericPhase &
 Set the state of matter of the phase (equivalent to GenericPhase::setStateOfMatter).
 
auto set (AggregateState option) -> GenericPhase &
 Set the aggregate state of the species in the phase (equivalent to GenericPhase::setAggregateState).
 
auto set (const ActivityModelGenerator &model) -> GenericPhase &
 Set the activity model of the phase (equivalent to GenericPhase::setActivityModel).
 
auto name () const -> String
 Return the name of the phase.
 
auto stateOfMatter () const -> StateOfMatter
 Return the state of matter of the phase.
 
auto aggregateState () const -> AggregateState
 Return the common aggregate state of the species composing the phase.
 
auto additionalAggregateStates () const -> const Vec< AggregateState > &
 Return the additional aggregate states to be considered when searching for species in a database.
 
auto species () const -> const Strings &
 Return the names of the selected species to compose the phase (empty if not given).
 
auto elements () const -> const Strings &
 Return the element symbols for automatic species selection (empty if not given).
 
auto activityModel () const -> const ActivityModelGenerator &
 Return the specified activity model of the phase.
 
auto idealActivityModel () const -> const ActivityModelGenerator &
 Return the specified ideal activity model of the phase.
 
auto convert (const Database &db, const Strings &elements) const -> Phase
 Convert this GenericPhase object into a Phase object.
 

Detailed Description

The class used to configure an aqueous solution phase.


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