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Reaktoro
v2.11.0
A unified framework for modeling chemically reactive systems
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Class List
Here are the classes, structs, unions and interfaces with brief descriptions:
[detail level 123]
| ►NReaktoro | The namespace containing all components of the Reaktoro library |
| ►NCubicEOS | |
| CSubstance | The attributes of a substance in a fluid phase required by a cubic equation of state |
| CProps | The properties calculated by evaluating a cubic equation of state |
| CBip | The binary interaction parameters for the cubic equation of state |
| CBipModelArgs | The arguments for the evaluation of binary interaction parameters in a cubic equation of state |
| CAlpha | The value and temperature derivatives of the \(\alpha(T_r;\omega)\) function in a cubic equation of state |
| CAlphaModelArgs | The arguments for the evaluation of a \(\alpha(T_r;\omega)\) function in a cubic equation of state |
| CEquationModel | The necessary constants \(\epsilon\), \(\sigma\), \(\Omega\), \(\Psi\) and function \(\alpha(T_r;\omega)\) that uniquely define a cubic equation of state |
| CEquationSpecs | The specifications for configuting a cubic equation of state |
| CEquation | Calculates thermodynamic properties of fluid phases based on a cubic equation of state model |
| CBipModelParamsPhreeqc | The parameters in the binary interaction parameter model of PHREEQC for Peng-Robinson EOS |
| CBipModelParamsSoreideWhitson | The parameters in the binary interaction parameter model of Søreide and Whitson (1992) for Peng-Robinson EOS |
| CBipModelParamsPHREEQC | |
| ►Ndetail | |
| CisArrayAux | |
| CisArrayAux< Eigen::Array< Scalar, Rows, 1, Options, MaxRows, 1 > > | |
| CisArrayAux< Eigen::Array< Scalar, 1, Cols, Options, 1, MaxCols > > | |
| CisArrayAux< Eigen::Matrix< Scalar, Rows, 1, Options, MaxRows, 1 > > | |
| CisArrayAux< Eigen::Matrix< Scalar, 1, Cols, Options, 1, MaxCols > > | |
| CisArrayAux< Eigen::VectorBlock< Vec, Size > > | |
| CisArrayAux< Eigen::Ref< Vec > > | |
| CTypeOpRef< Eigen::Matrix< Scalar, Rows, Cols, Options, MaxRows, MaxCols > > | |
| CTypeOpRef< Eigen::Array< Scalar, Rows, Cols, Options, MaxRows, MaxCols > > | |
| CTypeOpConstRef< Eigen::Matrix< Scalar, Rows, Cols, Options, MaxRows, MaxCols > > | |
| CTypeOpConstRef< Eigen::Array< Scalar, Rows, Cols, Options, MaxRows, MaxCols > > | |
| CCounter | |
| CisFunction | |
| CisFunction< std::function< Signature > > | |
| CasFunction | |
| CasFunction< Ret(Args...)> | |
| CasFunction< Ret(*)(Args...)> | |
| CasFunction< Ret(Class::*)(Args...) const > | |
| CRef | |
| CTypeOpRef | |
| CTypeOpConstRef | |
| CTypeOpIdentity | |
| ►NPhreeqcUtils | |
| CPhreeqcWaterThermoProps | The thermodynamic properties of water computed in PHREEQC |
| CPhreeqcWaterElectroProps | The electrostatic properties of water computed in PHREEQC |
| CPhreeqcWaterProps | The thermodynamic and electrostatic properties of water computed in PHREEQC |
| CArraySerialization | The class implementing methods to serialize/deserialize data into/from arrays |
| CArrayStream | The class used to serialize/deserialize data using array |
| CException | Provides a convenient way to initialized an exception with helpful error messages |
| CMemoizationTraits | Used to enable function arguments of a type T to be cached in a memoized version of the function |
| CMemoizationTraits< Eigen::Array< Scalar, Rows, Cols, Options, MaxRows, MaxCols > > | Specialize MemoizationTraits for Eigen array types |
| CMemoizationTraits< Eigen::Ref< EigenType > > | Specialize MemoizationTraits for Eigen ref types |
| CMemoization | The class used to control memoization in the application |
| CStringList | A class for representing a list of strings with special constructors |
| CTableColumn | Used to represent the data stored in a table column |
| ►CTable | Used to store computed data in columns |
| COutputOptions | Used to specify formatting options when printing or outputting the Table object |
| CStopwatch | Used for measuring elapsed time since object creation |
| CWarnings | Used to control warnings in the execution of Reaktoro |
| CActivityModelArgs | The arguments in an function for calculation of activity properties of a phase |
| CMemoizationTraits< ActivityModelArgs > | Specialize MemoizationTraits for ActivityModelArgs |
| CActivityPropsBase | The base type for the primary activity and corrective thermodynamic properties of a phase |
| CChemicalFormula | A type used to represent the chemical formula of a chemical species |
| CChemicalProps | The class that computes chemical properties of a chemical system |
| CChemicalPropsPhaseBaseData | The base type for primary chemical property data of a phase from which others are computed |
| CChemicalPropsPhaseBase | The base type for chemical properties of a phase and its species |
| ►CChemicalState | The chemical state of a chemical system |
| CEquilibrium | The access to the properties related to an equilibrium state in a ChemicalState object |
| CMemoizationTraits< ChemicalState > | Specialize MemoizationTraits for ChemicalState |
| CChemicalSystem | The class used to represent a chemical system and its attributes and properties |
| ►CData | The class used to store and retrieve data for assemblying chemical systems |
| CDecode | Used to allow conversion of Data objects to objects with custom types |
| CEncode | Used to allow conversion of objects with custom types to Data objects |
| COpt | Used as the return type of method Data::optional |
| CDatabase | The class used to store and retrieve data of chemical species |
| ►CElement | A type used to define a element and its attributes |
| CAttribs | The attributes of an Element object |
| CElementalComposition | A type used to describe the elemental composition of chemical species |
| CElementList | A type used as a collection of elements |
| CEmbedded | Used to retrieve embedded resources (e.g., database files, parameter files) in Reaktoro |
| CFormationReaction | A class to represent a formation reaction of a chemical species |
| CModel | |
| CModel< Result(Args...)> | The class used to represent a model function and its parameters |
| CParams | Used to store and retrieve model parameters |
| CPhase | A type used to define a phase and its attributes |
| CPhaseList | A type used as a collection of phases |
| CSpeciate | The auxiliary type used to specify phase species to be determined from element symbols |
| CExclude | The auxiliary type used to specify species that should be filtered out when contructing a phase |
| CGeneralPhase | The base type for all other classes defining more specific phases |
| CGeneralPhasesGenerator | The base type for a generator of general phases with a single species |
| CPhases | The class used to define the phases that will constitute the chemical system of interest |
| CAqueousPhase | The class used to configure an aqueous solution phase |
| CGaseousPhase | The class used to configure a gaseous solution phase |
| CLiquidPhase | The class used to configure a liquid solution phase |
| CSolidPhase | The class used to configure a solid solution phase |
| CMineralPhase | The class used to configure a pure mineral phase |
| CMineralPhases | The class used to configure automatic selection of pure mineral phases |
| CCondensedPhase | The class used to configure a pure condensed phase |
| CCondensedPhases | The class used to configure automatic selection of pure condensed phases |
| CIonExchangePhase | The class used to configure an ion exchange phase |
| CProp | Used to retrieve a specified property from the chemical properties of a system |
| CReaction | A class to represent a reaction and its attributes |
| CReactionEquation | A type used to represent the equation of a reaction |
| CReactionList | A type used as a collection of reactions |
| CReactionRate | The result of a reaction rate model evaluation |
| CReactionRateModelGeneratorArgs | The data provided to a ReactionRateModelGenerator to construct the ReactionRateModel of a reaction |
| CReactionGeneratorArgs | The data provided to a ReactionGenerator to construct a Reaction object |
| CGeneralReaction | Used to define a general reaction |
| CReactions | Used to represent a collection of reactions controlled kinetically |
| CReactionStandardThermoModelArgs | The arguments in a ReactionStandardThermoModel function object |
| CReactionStandardThermoProps | The primary standard thermodynamic properties of a chemical reaction |
| CReactionThermoProps | The complete set of standard thermodynamic properties of a chemical reaction |
| ►CSpecies | A type used to represent a chemical species and its attributes |
| CAttribs | The attributes of a Species object |
| CSpeciesList | A type used as a collection of species |
| CSpeciesThermoProps | The complete set of standard thermodynamic properties of a chemical species |
| CStandardThermoProps | The primary standard thermodynamic properties of a chemical species |
| CDatabaseParser | Used to handle the parsing of YAML or JSON files to construct a Database object |
| CSurface | Used to represent a surface across which chemical reactions take place |
| CSurfaceList | A type used as a collection of surfaces |
| CGeneralSurface | Used to define a general surface |
| CSurfaces | Used to represent a collection of surfaces across which chemical reactions take place |
| CThermoProps | The standard thermodynamic properties of the species in a chemical system |
| CThermoPropsPhaseBaseData | The base type for primary standard thermodynamic property data of a phase from which others are computed |
| CThermoPropsPhaseBase | The base type for standard thermodynamic properties of a phase and its species |
| CEquilibriumConditions | The class used to define conditions to be satisfied at chemical equilibrium |
| CEquilibriumDims | The dimensions of the variables in a chemical equilibrium problem |
| CEquilibriumHessian | Used to compute the Hessian matrix of the Gibbs energy function |
| CEquilibriumOptions | The options for the equilibrium calculations |
| CEquilibriumPredictor | Used to predict a chemical equilibrium state at given conditions using first-order Taylor approximation |
| CEquilibriumProps | The class that computes chemical properties of a system during equilibrium calculations |
| CEquilibriumRestrictions | The class used to define reactivity restrictions in a chemical equilibrium calculation |
| CEquilibriumResult | A type used to describe the result of an equilibrium calculation |
| CEquilibriumSensitivity | The sensitivity derivatives of a chemical equilibrium state |
| CEquilibriumSetup | Used to construct the optimization problem for a chemical equilibrium calculation |
| CEquilibriumSolver | Used for calculating chemical equilibrium states |
| CControlVariableQ | Used to define a q control variable in a chemical equilibrium problem |
| CControlVariableP | Used to define a p control variable in a chemical equilibrium problem |
| CEquationConstraintFn | Used to define the function that evaluates the residual of an equation constraint in a chemical equilibrium problem |
| CEquationConstraint | Used to define equation constraints in a chemical equilibrium problem |
| CConstraintEquation | Used to define equation constraints in a chemical equilibrium problem |
| CEquationConstraints | Used to define a system of equation constraints in a chemical equilibrium problem |
| CReactivityConstraint | Used to define reactivity restrictions among species in the chemical equilibrium calculation |
| CReactivityConstraints | Used to define a system of reactivity restrictions among species in the chemical equilibrium calculation |
| CEquilibriumSpecs | The class used to define conditions to be satisfied at chemical equilibrium |
| CSmartEquilibriumOptions | The options for the smart equilibrium calculations |
| CSmartEquilibriumTiming | Used to provide timing information of the operations during a smart chemical equilibrium calculation |
| CSmartEquilibriumResultDuringPrediction | Used to represent the result of a prediction operation in a smart chemical equilibrium calculation |
| CSmartEquilibriumResultDuringLearning | Used to represent the result of a learning operation in a smart chemical equilibrium calculation |
| CSmartEquilibriumResult | Used to describe the result of a smart chemical equilibrium calculation |
| ►CSmartEquilibriumSolver | Used for calculating chemical equilibrium states using an on-demand machine learning (ODML) strategy |
| CCell | The collection of clusters containing learned input-output data associated to a temperature-pressure grid cell |
| CCluster | The cluster storing learned input-output data with same classification |
| CGrid | The temperature-pressure grid cells containing learned input-output data |
| CRecord | The record of the knowledge database containing input, output, and derivatives data |
| CNasaDatabase | Used to support thermodynamic databases in NASA CEA format |
| CPhreeqc | |
| CPhreeqcDatabase | The class used to store and retrieve data of chemical species from PHREEQC databases |
| CSupcrtDatabase | The class used to store and retrieve data of chemical species from SUPCRT databases |
| CThermoFunDatabase | The class used to store and retrieve data of chemical species from ThermoFun databases |
| CThermoFunEngine | The class used for standard thermodynamic property calculations based on ThermoFun |
| CKineticsOptions | The options for chemical kinetics calculation |
| CKineticsResult | Used to describe the result of a chemical kinetics calculation |
| CKineticsSensitivity | The sensitivity derivatives of a chemical equilibrium state |
| CKineticsSolver | Used for chemical kinetics calculations |
| CSmartKineticsOptions | The options for smart chemical kinetics calculation |
| CSmartKineticsResult | Used to describe the result of a smart chemical kinetics calculation |
| CSmartKineticsSolver | Used for chemical kinetics calculations |
| CBilinearInterpolator | A class used to calculate bilinear interpolation of data in two dimensions |
| CLagrangeInterpolator | A class used to calculate interpolation of data in one dimension in any order |
| CLU | The class that computes the full pivoting Auxiliary struct for storing the LU decomposition of a matrix A |
| CActivityModelDaviesParams | The parameters in the Davies activity model for aqueous electrolyte solutions |
| CActivityModelDebyeHuckelParams | The parameters in the Debye–Hückel activity model for aqueous electrolyte solutions |
| CActivityModelDrummondParams | The parameters in the Drummond (1981) activity model |
| CActivityModelParamsExtendedUNIQUAC | The parameters in the Extended UNIQUAC activity model for aqueous electrolyte solutions |
| ►CActivityModelParamsPitzer | The parameters in the Pitzer activity model for aqueous electrolyte solutions |
| CInteractionParamAttribs | The attributes of an interaction parameter in the Pitzer activity model |
| CAqueousMixtureState | A type used to describe the state of an aqueous mixture |
| CAqueousMixture | A type used to describe an aqueous mixture |
| CIonExchangeSurfaceState | A type used to describe the state of an ion exchange surface |
| CIonExchangeSurface | A type used to describe an ion exchange surface |
| ►CReactionRateModelParamsPalandriKharaka | The parameters in the reaction rate model of [for] dissolution/precipitation kinetics of minerals |
| CCatalyst | The parameters for a catalyser property in a mineral reaction rate mechanism of |
| CMechanism | The parameters for a mineral reaction rate mechanism of |
| CReactionStandardThermoModelParamsConstLgK | The parameters in a thermodynamic model for a formation reaction based on constant \(\lg K(T)\) |
| CReactionStandardThermoModelParamsGemsLgK | The parameters in the thermodynamic model for a formation reaction based on GEM-Selektor's expression for \(\lg K(T)\) |
| CReactionStandardThermoModelParamsPhreeqcLgK | The parameters in the thermodynamic model for a formation reaction based on PHREEQC's expression for \(\lg K(T)\) |
| CReactionStandardThermoModelParamsVantHoff | The parameters in a van't Hoff thermodynamic model for a formation reaction |
| CStandardThermoModelParamsConstant | The parameters in the constant model for calculating standard thermodynamic properties of species |
| CStandardThermoModelParamsExtendedUNIQUAC | The parameters in the extended UNIQUAC model for calculating standard thermodynamic properties of substances |
| CStandardThermoModelParamsHKF | The parameters in the HKF model for calculating standard thermodynamic properties of aqueous solutes |
| CStandardThermoModelParamsHollandPowell | The parameters in the Holland-Powell model for calculating standard thermodynamic properties of fluid and mineral species |
| CStandardThermoModelParamsInterpolation | The parameters in the Maier-Kelley model for calculating standard thermodynamic properties of fluid and solid species |
| CStandardThermoModelParamsMaierKelley | The parameters in the Maier-Kelley model for calculating standard thermodynamic properties of fluid and solid species |
| CStandardThermoModelParamsMineralHKF | The parameters in the Maier-Kelley-HKF model for calculating standard thermodynamic properties of mineral species |
| ►CStandardThermoModelParamsNasa | The parameters in the NASA polynomial model for calculating standard thermodynamic properties of gases and condensed species |
| CPolynomial | Used to store Nasa polynomial coefficients valid for a certain temperature interval |
| CStandardThermoModelParamsWaterHKF | The parameters in the HKF model for calculating standard thermodynamic properties of the aqueous solvent (water) |
| CStandardVolumeModelParamsConstant | The parameters in the constant model for calculating standard volume of a product species in a formation reaction |
| CSpeciesElectroProps | The electrostatic properties of an aqueous solute species |
| CgHKF | The g function state of in HKF model for computation of electrostatic properties of aqueous solutes |
| CClusterConnectivity | |
| CPriorityQueue | |
| CSubstanceCriticalPropsData | A type used to represent the critical properties of a substance |
| CSubstanceCriticalProps | A type used to represent a substance and its critical properties |
| CCriticalProps | A type used store a collection of substances and their critical properties |
| CDissociationReaction | A type used to represent a dissociation reaction of a neutral substance into ions |
| CDissociationReactions | A type used store a collection of dissociation reactions |
| CElements | A type used store a collection of elements |
| CAqueousProps | The chemical properties of an aqueous phase |
| CIonExchangeProps | The chemical properties of an aqueous phase |
| CMaterial | A type used to represent a material composed of one or more substances |
| CMineralReaction | The class used to configure mineral dissolution/precipitation reactions |
| CMineralReactionRateModelArgs | The data provided to a MineralReactionRateModel to evaluate the rate of a mineral reaction |
| CMineralSurface | Used to define mineral surfaces that react with aqueous phases |
| CWaterElectroProps | |
| CWaterHelmholtzProps | |
| CWaterThermoProps | Used to store thermodynamic properties of water |
| ►Nstd | STL namespace |
| Chash< std::vector< T, A > > | Specialize std::hash for std::vector<T, A> so that it can be used as key in std::unordered_map |
| Chash< std::pair< L, R > > | Specialize std::hash for std::pair<L, R> so that it can be used as key in std::unordered_map |
| Chash< Reaktoro::Element > | |
| Chash< Reaktoro::Species > | |
| Chash< Reaktoro::Surface > |
