class Database

Declaration

class Database { /* full declaration omitted */ };

Description

The Database class stores maps of elements, substances and reactions. A database instance can be used to create a ThermoEngine instance which can be further used to calculate the standard thermodynamic properties of substances and reactions at T and P

Declared at: ThermoFun/Database.h:32

Method Overview

• public Database(std::string filename)
• public Database(std::vector<std::string> jsonRecords, std::string _label)
• public Database(const ThermoFun::Database & other)
• public Database()
• public auto addElement(const ThermoFun::Element & element) -> void
• public auto addElement(const std::string & jsonElement) -> 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 std::string & jsonReaction) -> void
• public auto addReaction(const ThermoFun::Reaction & reaction) -> void
• public auto addSubstance(const ThermoFun::Substance & substance) -> void
• public auto addSubstance(const std::string & jsonSubstance) -> void
• public auto appendData(std::string filename) -> void
• public auto appendData(std::vector<std::string> jsonRecords, std::string _label) -> void
• 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 elementalEntropyFormula(std::string formula) const -> double
• public auto getElement(std::string symbol) const -> const ThermoFun::Element &
• public auto getElements() const -> std::vector<Element>
• public auto getReaction(std::string symbol) const -> const ThermoFun::Reaction &
• public auto getReactions() const -> std::vector<Reaction>
• public auto getSubstance(std::string symbol) const -> const ThermoFun::Substance &
• public auto getSubstances() const -> std::vector<Substance>
• public auto mapElements() const -> const ThermoFun::ElementsMap &
• public auto mapReactions() const -> const ThermoFun::ReactionsMap &
• public auto mapSubstances() const -> const ThermoFun::SubstancesMap &
• public auto numberOfElements() const -> size_t
• public auto numberOfReactions() const -> size_t
• public auto numberOfSubstances() const -> size_t
• public auto parseSubstanceFormula(std::string formula) const -> std::map<Element, double>
• public auto setElement(const ThermoFun::Element & element) -> void
• public auto setElement(const std::string & jsonElement) -> void
• public auto setMapElements(const ThermoFun::ElementsMap & elements) -> void
• public auto setMapReactions(const ThermoFun::ReactionsMap & reactions) -> void
• public auto setMapSubstances(const ThermoFun::SubstancesMap & substances) -> void
• public auto setReaction(const std::string & jsonReaction) -> void
• public auto setReaction(const ThermoFun::Reaction & reaction) -> void
• public auto setSubstance(const std::string & jsonSubstance) -> void
• public auto setSubstance(const ThermoFun::Substance & substance) -> void

Methods

¶Database(std::string filename)

Description

Construct a new Database object

Declared at: ThermoFun/Database.h:43

Parameters

std::string filename

name/path of the file or a string containing a ThermoDataSet in JSON format

¶Database(std::vector<std::string> jsonRecords,
         std::string _label)

Description

Database constructs a database instance from a vector of records in json format Records with the same symbol will be overwritten!

Declared at: ThermoFun/Database.h:52

Parameters

std::vector<std::string> jsonRecords

vector of records in JSON string format

std::string _label

¶Database(const ThermoFun::Database& other)

Description

Construct a copy of an Database instance

Declared at: ThermoFun/Database.h:58

Parameters

const ThermoFun::Database& other

¶Database()

Description

Construct default database instance

Declared at: ThermoFun/Database.h:36

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

Description

Add an Element instance in the database. If the element with the symbol exists the record will not be added.

Declared at: ThermoFun/Database.h:77

Parameters

const ThermoFun::Element& element

¶auto addElement(const std::string& jsonElement)
    -> void

Description

Add an Element instance in the database from a JSON string. If the element with the symbol exists the record will not be added.

Declared at: ThermoFun/Database.h:83

Parameters

const std::string& jsonElement

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

Description

Add a map of Elements in the database. If the element with the symbol exists the record will not be added.

Declared at: ThermoFun/Database.h:89

Parameters

const ThermoFun::ElementsMap& elements

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

Description

Add a map of Reactions in the database. If the reaction with the symbol exists the record will not be added.

Declared at: ThermoFun/Database.h:128

Parameters

const ThermoFun::ReactionsMap& reactions

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

Description

Add a map of Substances in the database. If the substance with the symbol exists the record will not be added.

Declared at: ThermoFun/Database.h:107

Parameters

const ThermoFun::SubstancesMap& substances

¶auto addReaction(const std::string& jsonReaction)
    -> void

Description

Add a Reaction instance in the database from a JSON string. If the reaction with the symbol exists the record will not be added.

Declared at: ThermoFun/Database.h:119

Parameters

const std::string& jsonReaction

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

Description

Add a Reaction instance in the database. If the reaction with the symbol exists the record will not be added.

Declared at: ThermoFun/Database.h:113

Parameters

const ThermoFun::Reaction& reaction

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

Description

Add a Substance instance in the database. If the substance with the symbol exists the record will not be added.

Declared at: ThermoFun/Database.h:95

Parameters

const ThermoFun::Substance& substance

¶auto addSubstance(
    const std::string& jsonSubstance) -> void

Description

Add a Substance instance in the database from a JSON string. If the substance with the symbol exists the record will not be added.

Declared at: ThermoFun/Database.h:98

Parameters

const std::string& jsonSubstance

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

Description

appendData append records to the database from a file. Records with the same symbol will be overwritten!

Declared at: ThermoFun/Database.h:65

Parameters

std::string filename

name/path of the file or a string containing a ThermoDataSet in JSON format

¶auto appendData(
    std::vector<std::string> jsonRecords,
    std::string _label) -> void

Description

appendData append records to the database from a vector of JSON strings Records with the same symbol will be overwritten!

Declared at: ThermoFun/Database.h:74

Parameters

std::vector<std::string> jsonRecords

vector of records in JSON string format

std::string _label

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

Description

Check if the database contains a given element

Declared at: ThermoFun/Database.h:171

Parameters

std::string symbol

The name of the element

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

Description

Check if the database contains a given reaction

Declared at: ThermoFun/Database.h:179

Parameters

std::string symbol

The name of the reaction

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

Description

Check if the database contains a given substance

Declared at: ThermoFun/Database.h:175

Parameters

std::string symbol

The name of the substance

¶auto elementalEntropyFormula(
    std::string formula) const -> double

Description

Pareses a given substance formula present in the database

Declared at: ThermoFun/Database.h:189

Parameters

std::string formula

Returns

elemental entropy

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

Description

Return a element in the database

Declared at: ThermoFun/Database.h:161

Parameters

std::string symbol

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

Description

Return all elements in the database

Declared at: ThermoFun/Database.h:134

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

Description

Return a reactions in the database

Declared at: ThermoFun/Database.h:167

Parameters

std::string symbol

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

Description

Return all reactions in the database

Declared at: ThermoFun/Database.h:140

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

Description

Return a substance in the database

Declared at: ThermoFun/Database.h:164

Parameters

std::string symbol

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

Description

Return all substances in the database

Declared at: ThermoFun/Database.h:137

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

Description

Returns the map of elements in the database

Declared at: ThermoFun/Database.h:143

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

Description

Returns the map of reactions in the database

Declared at: ThermoFun/Database.h:149

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

Description

Returns the map of substances in the database

Declared at: ThermoFun/Database.h:146

¶auto numberOfElements() const -> size_t

Description

Returns the number of elements in the databse

Declared at: ThermoFun/Database.h:152

¶auto numberOfReactions() const -> size_t

Description

Returns the number of reactions in the database

Declared at: ThermoFun/Database.h:158

¶auto numberOfSubstances() const -> size_t

Description

Returns the number of substances in the databse

Declared at: ThermoFun/Database.h:155

¶auto parseSubstanceFormula(std::string formula)
    const -> std::map<Element, double>

Description

Pareses a given substance formula present in the database

Declared at: ThermoFun/Database.h:184

Parameters

std::string formula

Returns

map of Elements and coefficients

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

Description

Sets an Element in the database. If the element with the symbol exists the record will be overwritten.

Declared at: ThermoFun/Database.h:80

Parameters

const ThermoFun::Element& element

¶auto setElement(const std::string& jsonElement)
    -> void

Description

Sets an Element in the database from a JSON string. If the element with the symbol exists the record will be overwritten.

Declared at: ThermoFun/Database.h:86

Parameters

const std::string& jsonElement

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

Description

Add a map of Elements in the database. If the element with the symbol exists the record will be overwritten.

Declared at: ThermoFun/Database.h:92

Parameters

const ThermoFun::ElementsMap& elements

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

Description

Sets a map of Reactions in the database. If the reaction with the symbol exists the record will be overwritten.

Declared at: ThermoFun/Database.h:131

Parameters

const ThermoFun::ReactionsMap& reactions

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

Description

Set a map of Substances in the database. If the substance with the symbol exists the record will be overwritten.

Declared at: ThermoFun/Database.h:110

Parameters

const ThermoFun::SubstancesMap& substances

¶auto setReaction(const std::string& jsonReaction)
    -> void

Description

Set a reaction in the database from a JSON string. If the reaction with the symbol exists the record will be overwritten.

Declared at: ThermoFun/Database.h:122

Parameters

const std::string& jsonReaction

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

Description

Set a reaction in the database. If the reaction with the symbol exists the record will be overwritten.

Declared at: ThermoFun/Database.h:116

Parameters

const ThermoFun::Reaction& reaction

¶auto setSubstance(
    const std::string& jsonSubstance) -> void

Description

Sets a substance in the database from a JSON string. If the substance with the symbol exists the record will be overwritten.

Declared at: ThermoFun/Database.h:104

Parameters

const std::string& jsonSubstance

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

Description

Sets a substance in the database. If the substance with the symbol exists the record will be overwritten.

Declared at: ThermoFun/Database.h:101

Parameters

const ThermoFun::Substance& substance