struct Database::Impl

Declaration

struct Database::Impl { /* full declaration omitted */ };

Declared at: ThermoFun/Database.cpp:27

Member Variables

public ThermoFun::SubstancesMap substances_map

The map of all aqueous species in the database

public ThermoFun::ReactionsMap reactions_map

The map of all reactions in the database

public ThermoFun::ElementsMap elements_map

The map of all elements in the database

public ChemicalFun::DBElements all_elements

Downloaded elements data for formula parser

Method Overview

• public Impl(std::string filename)
• public Impl(std::vector<std::string> jsons, std::string _label)
• public Impl()
• public auto addElement(const ThermoFun::Element & element) -> void
• public auto addMapElements(const ThermoFun::ElementsMap & elements) -> void
• public auto addMapReactions(const ThermoFun::ReactionsMap & reactions) -> void
• public auto addMapSubstances(const ThermoFun::SubstancesMap & substances) -> void
• public auto addReaction(const ThermoFun::Reaction & reaction) -> void
• public auto addRecord(json j, std::string _label) -> void
• public auto addRecords(json j, std::string _label = "unknown label") -> void
• public auto addSubstance(const ThermoFun::Substance & substance) -> void
• public template <class T>auto checkIfSymbolExists(std::map<std::string, T> map_, std::string record_type, std::string symbol) -> void
• public template <typename Key, typename Value>auto collectValues(const std::map<Key, Value> & map) const -> std::vector<Value>
• public auto containsElement(std::string symbol) const -> bool
• public auto containsReaction(std::string symbol) const -> bool
• public auto containsSubstance(std::string symbol) const -> bool
• public auto elementKeyToElement(ChemicalFun::ElementKey elementKey) -> ThermoFun::Element
• public auto fromFile(std::string filename) -> void
• public auto fromJSONs(std::vector<std::string> jsons, std::string _label) -> void
• public auto getElement(std::string symbol) -> ThermoFun::Element &
• public auto getElements() const -> std::vector<Element>
• public auto getReaction(std::string symbol) -> ThermoFun::Reaction &
• public auto getReactions() const -> std::vector<Reaction>
• public auto getSubstance(std::string symbol) -> ThermoFun::Substance &
• public auto getSubstances() const -> std::vector<Substance>
• public auto mapElements() -> ThermoFun::ElementsMap &
• public auto mapReactions() -> ThermoFun::ReactionsMap &
• public auto mapSubstances() -> ThermoFun::SubstancesMap &
• public auto numberOfElements() const -> size_t
• public auto numberOfReactions() const -> size_t
• public auto numberOfSubstances() const -> size_t
• public auto setDBElements(ThermoFun::ElementsMap elements) -> void
• public auto setElement(const ThermoFun::Element & element) -> void
• public auto setReaction(const ThermoFun::Reaction & reaction) -> void
• public auto setSubstance(const ThermoFun::Substance & substance) -> void

Methods

¶Impl(std::string filename)

Declared at: ThermoFun/Database.cpp:45

Parameters

std::string filename

¶Impl(std::vector<std::string> jsons,
     std::string _label)

Declared at: ThermoFun/Database.cpp:54

Parameters

std::vector<std::string> jsons

std::string _label

¶Impl()

Declared at: ThermoFun/Database.cpp:42

¶auto addElement(const ThermoFun::Element& element)
    -> void

Declared at: ThermoFun/Database.cpp:91

Parameters

const ThermoFun::Element& element

¶auto addMapElements(
    const ThermoFun::ElementsMap& elements)
    -> void

Declared at: ThermoFun/Database.cpp:113

Parameters

const ThermoFun::ElementsMap& elements

¶auto addMapReactions(
    const ThermoFun::ReactionsMap& reactions)
    -> void

Declared at: ThermoFun/Database.cpp:134

Parameters

const ThermoFun::ReactionsMap& reactions

¶auto addMapSubstances(
    const ThermoFun::SubstancesMap& substances)
    -> void

Declared at: ThermoFun/Database.cpp:118

Parameters

const ThermoFun::SubstancesMap& substances

¶auto addReaction(
    const ThermoFun::Reaction& reaction) -> void

Declared at: ThermoFun/Database.cpp:123

Parameters

const ThermoFun::Reaction& reaction

¶auto addRecord(json j, std::string _label) -> void

Declared at: ThermoFun/Database.cpp:233

Parameters

json j

std::string _label

¶auto addRecords(
    json j,
    std::string _label = "unknown label") -> void

Declared at: ThermoFun/Database.cpp:276

Parameters

json j

std::string _label = "unknown label"

¶auto addSubstance(
    const ThermoFun::Substance& substance) -> void

Declared at: ThermoFun/Database.cpp:102

Parameters

const ThermoFun::Substance& substance

¶template <class T>
auto checkIfSymbolExists(
    std::map<std::string, T> map_,
    std::string record_type,
    std::string symbol) -> void

Declared at: ThermoFun/Database.cpp:224

Templates

T

Parameters

std::map<std::string, T> map_

std::string record_type

std::string symbol

¶template <typename Key, typename Value>
auto collectValues(
    const std::map<Key, Value>& map) const
    -> std::vector<Value>

Declared at: ThermoFun/Database.cpp:62

Templates

Key

Value

Parameters

const std::map<Key, Value>& map

¶auto containsElement(std::string symbol) const
    -> bool

Declared at: ThermoFun/Database.cpp:208

Parameters

std::string symbol

¶auto containsReaction(std::string symbol) const
    -> bool

Declared at: ThermoFun/Database.cpp:218

Parameters

std::string symbol

¶auto containsSubstance(std::string symbol) const
    -> bool

Declared at: ThermoFun/Database.cpp:213

Parameters

std::string symbol

¶auto elementKeyToElement(
    ChemicalFun::ElementKey elementKey)
    -> ThermoFun::Element

Declared at: ThermoFun/Database.cpp:83

Parameters

ChemicalFun::ElementKey elementKey

¶auto fromFile(std::string filename) -> void

Description

Parses the JSON file (or string) and puts the data into the internal data structure

Declared at: ThermoFun/Database.cpp:286

Parameters

std::string filename

name of the file (in the working directory)

¶auto fromJSONs(std::vector<std::string> jsons,
               std::string _label) -> void

Declared at: ThermoFun/Database.cpp:322

Parameters

std::vector<std::string> jsons

std::string _label

¶auto getElement(std::string symbol)
    -> ThermoFun::Element&

Declared at: ThermoFun/Database.cpp:169

Parameters

std::string symbol

¶auto getElements() const -> std::vector<Element>

Declared at: ThermoFun/Database.cpp:139

¶auto getReaction(std::string symbol)
    -> ThermoFun::Reaction&

Declared at: ThermoFun/Database.cpp:185

Parameters

std::string symbol

¶auto getReactions() const -> std::vector<Reaction>

Declared at: ThermoFun/Database.cpp:149

¶auto getSubstance(std::string symbol)
    -> ThermoFun::Substance&

Declared at: ThermoFun/Database.cpp:177

Parameters

std::string symbol

¶auto getSubstances() const
    -> std::vector<Substance>

Declared at: ThermoFun/Database.cpp:144

¶auto mapElements() -> ThermoFun::ElementsMap&

Declared at: ThermoFun/Database.cpp:193

¶auto mapReactions() -> ThermoFun::ReactionsMap&

Declared at: ThermoFun/Database.cpp:203

¶auto mapSubstances() -> ThermoFun::SubstancesMap&

Declared at: ThermoFun/Database.cpp:198

¶auto numberOfElements() const -> size_t

Declared at: ThermoFun/Database.cpp:154

¶auto numberOfReactions() const -> size_t

Declared at: ThermoFun/Database.cpp:164

¶auto numberOfSubstances() const -> size_t

Declared at: ThermoFun/Database.cpp:159

¶auto setDBElements(
    ThermoFun::ElementsMap elements) -> void

Declared at: ThermoFun/Database.cpp:71

Parameters

ThermoFun::ElementsMap elements

¶auto setElement(const ThermoFun::Element& element)
    -> void

Declared at: ThermoFun/Database.cpp:96

Parameters

const ThermoFun::Element& element

¶auto setReaction(
    const ThermoFun::Reaction& reaction) -> void

Declared at: ThermoFun/Database.cpp:128

Parameters

const ThermoFun::Reaction& reaction

¶auto setSubstance(
    const ThermoFun::Substance& substance) -> void

Declared at: ThermoFun/Database.cpp:107

Parameters

const ThermoFun::Substance& substance