class Element

Declaration

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

Description

A type used to define a chemical element and its attributes

Declared at: ThermoFun/Element.h:17

Method Overview

• public Element(std::string jsonElement)
• public Element(const ThermoFun::Element & other)
• public Element(const ChemicalFun::ElementKey & elKey, const ChemicalFun::ElementValues & values)
• public Element()
• public auto class_() const -> int
• public auto entropy() const -> double
• public auto heatCapacity() const -> double
• public auto isotopeMass() const -> int
• public auto jsonString() const -> std::string
• public auto molarMass() const -> double
• public auto name() const -> std::string
• public auto number() const -> int
• public auto setClass(int value) -> void
• public auto setEntropy(double value) -> void
• public auto setHeatCapacity(double value) -> void
• public auto setIsotopeMass(int value) -> void
• public auto setJsonString(const std::string & jString) -> void
• public auto setMolarMass(double value) -> void
• public auto setName(std::string name) -> void
• public auto setNumber(int value) -> void
• public auto setSymbol(std::string symbol) -> void
• public auto setValence(int value) -> void
• public auto setVolume(double value) -> void
• public auto symbol() const -> std::string
• public auto toElementKey(ChemicalFun::ElementValues & eldata) -> ChemicalFun::ElementKey
• public auto valence() const -> int
• public auto volume() const -> double
• public virtual ~Element()

Methods

¶Element(std::string jsonElement)

Description

Constrcut an Element instance from a JSON string

Declared at: ThermoFun/Element.h:24

Parameters

std::string jsonElement

¶Element(const ThermoFun::Element& other)

Description

Construct a copy of an Element instance

Declared at: ThermoFun/Element.h:27

Parameters

const ThermoFun::Element& other

¶Element(const ChemicalFun::ElementKey& elKey,
        const ChemicalFun::ElementValues& values)

Description

Construct from internal elements database

Declared at: ThermoFun/Element.h:30

Parameters

const ChemicalFun::ElementKey& elKey

const ChemicalFun::ElementValues& values

¶Element()

Description

Construct a default Element instance

Declared at: ThermoFun/Element.h:21

¶auto class_() const -> int

Description

Return the class of the element (as in element.thrift)

Declared at: ThermoFun/Element.h:95

¶auto entropy() const -> double

Description

Return the entropy of the element (in units of J/mol/K)

Declared at: ThermoFun/Element.h:83

¶auto heatCapacity() const -> double

Description

Return the heat capacity of the element (in units of J/mol/K)

Declared at: ThermoFun/Element.h:86

¶auto isotopeMass() const -> int

Description

Return the rounded isotopic mass of the element

Declared at: ThermoFun/Element.h:98

¶auto jsonString() const -> std::string

Description

jonString

Declared at: ThermoFun/Element.h:107

Returns

record in json string

¶auto molarMass() const -> double

Description

Return the molar mass of the element (in units of g/mol)

Declared at: ThermoFun/Element.h:80

¶auto name() const -> std::string

Description

Return the name of the element

Declared at: ThermoFun/Element.h:74

¶auto number() const -> int

Description

Return the Mendeleev table number of the element

Declared at: ThermoFun/Element.h:101

¶auto setClass(int value) -> void

Description

Set the class_ of the element (as in element.thrift)

Declared at: ThermoFun/Element.h:59

Parameters

int value

¶auto setEntropy(double value) -> void

Description

Set the entropy of the element (in units of J/mol/K)

Declared at: ThermoFun/Element.h:47

Parameters

double value

¶auto setHeatCapacity(double value) -> void

Description

Set the heat capacity of the element (in units of J/mol/K)

Declared at: ThermoFun/Element.h:50

Parameters

double value

¶auto setIsotopeMass(int value) -> void

Description

Set the rounded isotopic mass of the element

Declared at: ThermoFun/Element.h:62

Parameters

int value

¶auto setJsonString(const std::string& jString)
    -> void

Description

setJsonString stores the json object of the record

Declared at: ThermoFun/Element.h:71

Parameters

const std::string& jString

¶auto setMolarMass(double value) -> void

Description

Set the molar mass of the element (in units of g/mol)

Declared at: ThermoFun/Element.h:44

Parameters

double value

¶auto setName(std::string name) -> void

Description

Set the name of the element

Declared at: ThermoFun/Element.h:38

Parameters

std::string name

¶auto setNumber(int value) -> void

Description

Set the element Mendeleev table number

Declared at: ThermoFun/Element.h:65

Parameters

int value

¶auto setSymbol(std::string symbol) -> void

Description

Set the symbol of the element

Declared at: ThermoFun/Element.h:41

Parameters

std::string symbol

¶auto setValence(int value) -> void

Description

Set the valence of the element

Declared at: ThermoFun/Element.h:56

Parameters

int value

¶auto setVolume(double value) -> void

Description

Set the volume of the element (in units of cm3/mol)

Declared at: ThermoFun/Element.h:53

Parameters

double value

¶auto symbol() const -> std::string

Description

Return the symbol of the element

Declared at: ThermoFun/Element.h:77

¶auto toElementKey(
    ChemicalFun::ElementValues& eldata)
    -> ChemicalFun::ElementKey

Declared at: ThermoFun/Element.h:109

Parameters

ChemicalFun::ElementValues& eldata

¶auto valence() const -> int

Description

Return the valence of the element

Declared at: ThermoFun/Element.h:92

¶auto volume() const -> double

Description

Return the volume of the element (in units of cm3/mol)

Declared at: ThermoFun/Element.h:89

¶virtual ~Element()

Description

Destroy this instance

Declared at: ThermoFun/Element.h:35