struct ThermoBatch::Impl

Declaration

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

Declared at: ThermoFun/Batch/ThermoBatch.cpp:21

Member Variables

public ThermoFun::ThermoEngine thermo

The thermo instance

public ThermoFun::BatchPreferences outSettings

public ThermoFun::vvd tpPairs

public std::vector<double> Ts

public std::vector<double> Ps

public std::map<std::string, double> Tincrement = defaultTemperatureIncrement

public std::map<std::string, double> Pincrement = defaultPressureIncrement

public ThermoFun::vstr properties

public std::map<std::string, std::string> givenPropertyUnits = defaultPropertyUnits

public std::map<std::string, int> givenPropertyDigits = defaultPropertyDigits

public ThermoFun::vstr symbols

public ThermoFun::vvThScalar results

Method Overview

• public Impl(std::string filename)
• public Impl(const ThermoFun::ThermoEngine & engine)
• public Impl(const ThermoFun::Database & database)
• public auto addProperties(const ThermoFun::vstr & names) -> void
• public auto addSymbols(const ThermoFun::vstr & symbols_) -> void
• public auto addSymbolsProperties(const ThermoFun::vstr & symbols_, const ThermoFun::vstr & properties) -> void
• public auto addTPpair(const double & T, const double & P) -> void
• public auto addTPpairs(const ThermoFun::vvd & tpPairs) -> void
• public auto addTPpairs(const std::vector<double> & temperatures, const std::vector<double> & pressures) -> void
• public auto addTPpairs(const double & Tmin, const double & Tmax, const double & Tstep, const double & Pmin, const double & Pmax, const double & Pstep) -> void
• public auto calculate(ThermoFun::Calculation calculation) -> void
• public auto calculateReactProp(double T, double & P, std::string symbol, unsigned int index) -> void
• public auto calculateSolventProp(double T, double & P, std::string symbol, unsigned int index) -> void
• public auto calculateSubstProp(double T, double & P, std::string symbol, unsigned int index) -> void
• public auto clearAll() -> void
• public auto clearPressures() -> void
• public auto clearProperties() -> void
• public auto clearSymbols() -> void
• public auto clearTPpairs() -> void
• public auto clearTemperatures() -> void
• public auto selectProvidedReactionsProperties(ThermoFun::vtpr vTpr) -> void
• public auto selectProvidedSubstancesProperties(ThermoFun::vtps vTps) -> void
• public auto selectResultsReact(ThermoFun::ThermoPropertiesReaction tpr) -> ThermoFun::vThScalar
• public auto selectResultsSolvent(ThermoFun::PropertiesSolvent ps, ThermoFun::ElectroPropertiesSolvent eps) -> ThermoFun::vThScalar
• public auto selectResultsSubst(ThermoFun::ThermoPropertiesSubstance tps) -> ThermoFun::vThScalar

Methods

¶Impl(std::string filename)

Declared at: ThermoFun/Batch/ThermoBatch.cpp:55

Parameters

std::string filename

¶Impl(const ThermoFun::ThermoEngine& engine)

Declared at: ThermoFun/Batch/ThermoBatch.cpp:59

Parameters

const ThermoFun::ThermoEngine& engine

¶Impl(const ThermoFun::Database& database)

Declared at: ThermoFun/Batch/ThermoBatch.cpp:51

Parameters

const ThermoFun::Database& database

¶auto addProperties(const ThermoFun::vstr& names)
    -> void

Declared at: ThermoFun/Batch/ThermoBatch.cpp:106

Parameters

const ThermoFun::vstr& names

¶auto addSymbols(const ThermoFun::vstr& symbols_)
    -> void

Declared at: ThermoFun/Batch/ThermoBatch.cpp:101

Parameters

const ThermoFun::vstr& symbols_

¶auto addSymbolsProperties(
    const ThermoFun::vstr& symbols_,
    const ThermoFun::vstr& properties) -> void

Declared at: ThermoFun/Batch/ThermoBatch.cpp:111

Parameters

const ThermoFun::vstr& symbols_

const ThermoFun::vstr& properties

¶auto addTPpair(const double& T, const double& P)
    -> void

Declared at: ThermoFun/Batch/ThermoBatch.cpp:118

Parameters

const double& T

const double& P

¶auto addTPpairs(const ThermoFun::vvd& tpPairs)
    -> void

Declared at: ThermoFun/Batch/ThermoBatch.cpp:170

Parameters

const ThermoFun::vvd& tpPairs

¶auto addTPpairs(
    const std::vector<double>& temperatures,
    const std::vector<double>& pressures) -> void

Declared at: ThermoFun/Batch/ThermoBatch.cpp:129

Parameters

const std::vector<double>& temperatures

const std::vector<double>& pressures

¶auto addTPpairs(const double& Tmin,
                const double& Tmax,
                const double& Tstep,
                const double& Pmin,
                const double& Pmax,
                const double& Pstep) -> void

Declared at: ThermoFun/Batch/ThermoBatch.cpp:146

Parameters

const double& Tmin

const double& Tmax

const double& Tstep

const double& Pmin

const double& Pmax

const double& Pstep

¶auto calculate(ThermoFun::Calculation calculation)
    -> void

Declared at: ThermoFun/Batch/ThermoBatch.cpp:247

Parameters

ThermoFun::Calculation calculation

¶auto calculateReactProp(double T,
                        double& P,
                        std::string symbol,
                        unsigned int index)
    -> void

Declared at: ThermoFun/Batch/ThermoBatch.cpp:325

Parameters

double T

double& P

std::string symbol

unsigned int index

¶auto calculateSolventProp(double T,
                          double& P,
                          std::string symbol,
                          unsigned int index)
    -> void

Declared at: ThermoFun/Batch/ThermoBatch.cpp:333

Parameters

double T

double& P

std::string symbol

unsigned int index

¶auto calculateSubstProp(double T,
                        double& P,
                        std::string symbol,
                        unsigned int index)
    -> void

Declared at: ThermoFun/Batch/ThermoBatch.cpp:320

Parameters

double T

double& P

std::string symbol

unsigned int index

¶auto clearAll() -> void

Declared at: ThermoFun/Batch/ThermoBatch.cpp:91

¶auto clearPressures() -> void

Declared at: ThermoFun/Batch/ThermoBatch.cpp:79

¶auto clearProperties() -> void

Declared at: ThermoFun/Batch/ThermoBatch.cpp:69

¶auto clearSymbols() -> void

Declared at: ThermoFun/Batch/ThermoBatch.cpp:64

¶auto clearTPpairs() -> void

Declared at: ThermoFun/Batch/ThermoBatch.cpp:84

¶auto clearTemperatures() -> void

Declared at: ThermoFun/Batch/ThermoBatch.cpp:74

¶auto selectProvidedReactionsProperties(
    ThermoFun::vtpr vTpr) -> void

Declared at: ThermoFun/Batch/ThermoBatch.cpp:310

Parameters

ThermoFun::vtpr vTpr

¶auto selectProvidedSubstancesProperties(
    ThermoFun::vtps vTps) -> void

Declared at: ThermoFun/Batch/ThermoBatch.cpp:301

Parameters

ThermoFun::vtps vTps

¶auto selectResultsReact(
    ThermoFun::ThermoPropertiesReaction tpr)
    -> ThermoFun::vThScalar

Declared at: ThermoFun/Batch/ThermoBatch.cpp:228

Parameters

ThermoFun::ThermoPropertiesReaction tpr

¶auto selectResultsSolvent(
    ThermoFun::PropertiesSolvent ps,
    ThermoFun::ElectroPropertiesSolvent eps)
    -> ThermoFun::vThScalar

Declared at: ThermoFun/Batch/ThermoBatch.cpp:197

Parameters

ThermoFun::PropertiesSolvent ps

ThermoFun::ElectroPropertiesSolvent eps

¶auto selectResultsSubst(
    ThermoFun::ThermoPropertiesSubstance tps)
    -> ThermoFun::vThScalar

Declared at: ThermoFun/Batch/ThermoBatch.cpp:180

Parameters

ThermoFun::ThermoPropertiesSubstance tps