Reaktoro  v2.11.0
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 (StringList const &species)
 Construct an AqueousPhase object with given species names.
 
 AqueousPhase (Speciate elements)
 Construct an AqueousPhase object with given element symbols.
 
 AqueousPhase (Speciate elements, Exclude const &withtags)
 Construct an AqueousPhase object with given element symbols and tags indicating which species must be excluded from the final list.
 
 AqueousPhase (Exclude const &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 GeneralPhase
 GeneralPhase ()
 Construct a default GeneralPhase object.
 
 GeneralPhase (StringList const &species)
 Construct a GeneralPhase object with given species names.
 
 GeneralPhase (Speciate const &elements)
 Construct a GeneralPhase object with given element symbols.
 
 GeneralPhase (Speciate const &elements, Exclude const &withtags)
 Construct a GeneralPhase object with given element symbols excluding the species with provided tags.
 
 GeneralPhase (Exclude const &withtags)
 Construct a GeneralPhase object excluding the species with provided tags.
 
virtual ~GeneralPhase ()
 Destroy this GeneralPhase object.
 
auto setName (String name) -> GeneralPhase &
 Set the unique name of the phase.
 
auto setStateOfMatter (StateOfMatter option) -> GeneralPhase &
 Set the state of matter of the phase.
 
auto setAggregateState (AggregateState option) -> GeneralPhase &
 Set the aggregate state of the species in the phase.
 
auto setAdditionalAggregateStates (Vec< AggregateState > const &options) -> GeneralPhase &
 Set additional aggregate states to be considered when searching for species in a database.
 
auto setActivityModel (ActivityModelGenerator const &model) -> GeneralPhase &
 Set the activity model of the phase.
 
auto setIdealActivityModel (ActivityModelGenerator const &model) -> GeneralPhase &
 Set the ideal activity model of the phase.
 
auto named (String name) -> GeneralPhase &
 Set a unique name of the phase (equivalent to GeneralPhase::setName).
 
auto set (StateOfMatter option) -> GeneralPhase &
 Set the state of matter of the phase (equivalent to GeneralPhase::setStateOfMatter).
 
auto set (AggregateState option) -> GeneralPhase &
 Set the aggregate state of the species in the phase (equivalent to GeneralPhase::setAggregateState).
 
auto set (ActivityModelGenerator const &model) -> GeneralPhase &
 Set the activity model of the phase (equivalent to GeneralPhase::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 -> Vec< AggregateState > const &
 Return the additional aggregate states to be considered when searching for species in a database.
 
auto species () const -> Strings const &
 Return the names of the selected species to compose the phase (empty if not given).
 
auto elements () const -> Strings const &
 Return the element symbols for automatic species selection (empty if not given).
 
auto activityModel () const -> ActivityModelGenerator const &
 Return the specified activity model of the phase.
 
auto idealActivityModel () const -> ActivityModelGenerator const &
 Return the specified ideal activity model of the phase.
 
auto convert (Database const &db, Strings const &elements) const -> Phase
 Convert this GeneralPhase 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: