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[docs] Restructure Kinetics doxygen documentation
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ischoegl committed Jul 7, 2023
1 parent 216ba01 commit cd03c90
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Showing 22 changed files with 80 additions and 42 deletions.
10 changes: 1 addition & 9 deletions include/cantera/kinetics/Arrhenius.h
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Expand Up @@ -33,20 +33,12 @@ struct ArrheniusData : public ReactionData
};


/**
* @defgroup arrheniusGroup Arrhenius-type Parameterizations
*
* This section describes the parameterizations used to describe the standard
* Arrhenius rate parameterization and derived models.
*
* @ingroup chemkinetics
*/

//! Base class for Arrhenius-type Parameterizations
/*!
* This base class provides a minimally functional interface that allows for parameter
* access from derived classes as well as classes that use Arrhenius-type expressions
* internally, for example FalloffRate and PlogRate.
* @ingroup arrheniusGroup
*/
class ArrheniusBase : public ReactionRate
{
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3 changes: 1 addition & 2 deletions include/cantera/kinetics/BulkKinetics.h
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@@ -1,6 +1,5 @@
/**
* @file BulkKinetics.h
* @ingroup chemkinetics
*/

// This file is part of Cantera. See License.txt in the top-level directory or
Expand All @@ -17,7 +16,7 @@ namespace Cantera
{

//! Specialization of Kinetics for chemistry in a single bulk phase
//! @ingroup kinetics
//! @ingroup kineticsmgr
class BulkKinetics : public Kinetics
{
public:
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2 changes: 2 additions & 0 deletions include/cantera/kinetics/ChebyshevRate.h
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Expand Up @@ -85,6 +85,8 @@ struct ChebyshevData : public ReactionData
* Chebyshev polynomials are not defined outside the interval (-1,1), and
* therefore extrapolation of rates outside the range of temperatures and
* pressures for which they are defined is strongly discouraged.
*
* @ingroup otherRateGroup
*/
class ChebyshevRate final : public ReactionRate
{
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1 change: 1 addition & 0 deletions include/cantera/kinetics/Custom.h
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Expand Up @@ -32,6 +32,7 @@ class Func1;
*
* @warning This class is an experimental part of the %Cantera API and
* may be changed or removed without notice.
* @ingroup otherRateGroup
*/
class CustomFunc1Rate final : public ReactionRate
{
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2 changes: 1 addition & 1 deletion include/cantera/kinetics/EdgeKinetics.h
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@@ -1,7 +1,6 @@
/**
* @file EdgeKinetics.h
*
* @ingroup chemkinetics
* @ingroup electrochem
*/

Expand All @@ -18,6 +17,7 @@ namespace Cantera
/**
* Heterogeneous reactions at one-dimensional interfaces between
* multiple adjacent two-dimensional surfaces.
* @ingroup kineticsmgr
*/
class EdgeKinetics : public InterfaceKinetics
{
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11 changes: 1 addition & 10 deletions include/cantera/kinetics/Falloff.h
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Expand Up @@ -12,16 +12,6 @@ namespace Cantera

class AnyMap;

/**
* @defgroup falloffGroup Falloff Parameterizations
*
* This section describes the parameterizations used to describe
* the fall-off in reaction rate constants due to intermolecular
* energy transfer.
* @ingroup chemkinetics
*/


//! Data container holding shared data specific to Falloff rates
/**
* The data container `FalloffData` holds precalculated data common to
Expand Down Expand Up @@ -76,6 +66,7 @@ struct FalloffData : public ReactionData
* Base class for falloff rate calculators. Each instance of a subclass of FalloffRate
* calculates the falloff reaction rate based on specific implementations of the
* falloff function.
* @ingroup falloffGroup
*/
class FalloffRate : public ReactionRate
{
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3 changes: 1 addition & 2 deletions include/cantera/kinetics/GasKinetics.h
Original file line number Diff line number Diff line change
@@ -1,6 +1,5 @@
/**
* @file GasKinetics.h
* @ingroup chemkinetics
*/

// This file is part of Cantera. See License.txt in the top-level directory or
Expand All @@ -24,7 +23,7 @@ namespace Cantera
* Kinetics manager for elementary gas-phase chemistry. This kinetics manager
* implements standard mass-action reaction rate expressions for low-density
* gases.
* @ingroup kinetics
* @ingroup kineticsmgr
* @deprecated Replace with BulkKinetics. To be removed after Cantera 3.0.
*/
class GasKinetics : public BulkKinetics
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2 changes: 1 addition & 1 deletion include/cantera/kinetics/ImplicitSurfChem.h
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Expand Up @@ -51,7 +51,7 @@ namespace Cantera
* phase with \f$ N_s \f$ surface sites, it consists of the surface coverages
* \f$ \theta_k \f$ for \f$ k = 0, N_s - 1 \f$
*
* @ingroup kineticsmgr
* @ingroup chemkinetics
*/
class ImplicitSurfChem : public FuncEval
{
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3 changes: 1 addition & 2 deletions include/cantera/kinetics/InterfaceKinetics.h
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@@ -1,6 +1,5 @@
/**
* @file InterfaceKinetics.h
* @ingroup chemkinetics
*/

// This file is part of Cantera. See License.txt in the top-level directory or
Expand Down Expand Up @@ -51,7 +50,7 @@ class ImplicitSurfChem;
* kinetics operator. Nonexistent phases are deemed to be unstable by default,
* but this can be changed.
*
* @ingroup chemkinetics
* @ingroup kineticsmgr
*/
class InterfaceKinetics : public Kinetics
{
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24 changes: 14 additions & 10 deletions include/cantera/kinetics/InterfaceRate.h
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Expand Up @@ -18,16 +18,6 @@ namespace Cantera

class AnyMap;

/**
* @defgroup surfaceGroup Coverage-dependent rate parameterizations
*
* This section describes the parameterizations used to describe rate
* parameterization that involve interfaces.
*
* @ingroup chemkinetics
*/


//! Data container holding shared data for reaction rate specification with interfaces
/**
* The data container InterfaceData holds precalculated data common to
Expand Down Expand Up @@ -98,6 +88,7 @@ struct InterfaceData : public BlowersMaselData
* The InterfaceRateBase class implements terms related to coverage only, which allows
* for combinations with arbitrary rate parameterizations (for example Arrhenius and
* BlowersMaselRate).
* @ingroup surfaceGroup
*/
class InterfaceRateBase
{
Expand Down Expand Up @@ -273,6 +264,7 @@ class InterfaceRateBase
//! Base class for rate parameterizations that implement sticking coefficients
/**
* The StickingCoverage class enhances Coverage to accommodate sticking coefficients.
* @ingroup surfaceGroup
*/
class StickingCoverage : public InterfaceRateBase
{
Expand Down Expand Up @@ -369,6 +361,7 @@ class StickingCoverage : public InterfaceRateBase


//! A class template for interface reaction rate specifications
//! @ingroup surfaceGroup
template <class RateType, class DataType>
class InterfaceRate : public RateType, public InterfaceRateBase
{
Expand Down Expand Up @@ -455,11 +448,17 @@ class InterfaceRate : public RateType, public InterfaceRateBase
}
};

//! Arrhenius-type interface reaction rate specifications
//! @ingroup surfaceGroup
using InterfaceArrheniusRate = InterfaceRate<ArrheniusRate, InterfaceData>;

//! Blowers-Masel-type interface reaction rate specifications
//! @ingroup surfaceGroup
using InterfaceBlowersMaselRate = InterfaceRate<BlowersMaselRate, InterfaceData>;


//! A class template for interface sticking rate specifications
//! @ingroup surfaceGroup
template <class RateType, class DataType>
class StickingRate : public RateType, public StickingCoverage
{
Expand Down Expand Up @@ -587,7 +586,12 @@ class StickingRate : public RateType, public StickingCoverage
}
};

//! Arrhenius-type interface sticking rate specifications
//! @ingroup surfaceGroup
using StickingArrheniusRate = StickingRate<ArrheniusRate, InterfaceData>;

//! Blowers-Masel-type interface sticking rate specifications
//! @ingroup surfaceGroup
using StickingBlowersMaselRate = StickingRate<BlowersMaselRate, InterfaceData>;

}
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11 changes: 9 additions & 2 deletions include/cantera/kinetics/Kinetics.h
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Expand Up @@ -26,7 +26,12 @@ class AnyMap;
* @defgroup chemkinetics Chemical Kinetics
*/

//! @defgroup reactionGroup Reactions and Reaction Rates
//! Classes for handling reactions and reaction rates.
//! @ingroup chemkinetics

//! @defgroup kineticsmgr Kinetics Managers
//! Classes implementing models for chemical kinetics.
//! @section kinmodman Models and Managers
//!
//! A kinetics manager is a C++ class that implements a kinetics model; a
Expand Down Expand Up @@ -93,6 +98,10 @@ class AnyMap;
//! occupy the last 5 locations.
//! @ingroup chemkinetics

//! @defgroup rateEvaluators Rate Evaluators
//! These classes are used to evaluate the rates of reactions.
//! @ingroup chemkinetics


//! Public interface for kinetics managers.
/*!
Expand Down Expand Up @@ -1414,8 +1423,6 @@ class Kinetics
*
* @return 0.0 if the stoichiometries are not multiples of one another
* Otherwise, it returns the ratio of the stoichiometric coefficients.
*
* @ingroup kineticsmgr
*/
double checkDuplicateStoich(std::map<int, double>& r1,
std::map<int, double>& r2) const;
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8 changes: 8 additions & 0 deletions include/cantera/kinetics/KineticsFactory.h
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Expand Up @@ -17,6 +17,7 @@ namespace Cantera

/**
* Factory for kinetics managers.
* @ingroup kineticsmgr
*/
class KineticsFactory : public Factory<Kinetics>
{
Expand All @@ -39,11 +40,13 @@ class KineticsFactory : public Factory<Kinetics>
/**
* Create a new kinetics manager.
* @deprecated To be removed after Cantera 3.0; superseded by newKinetics.
* @ingroup kineticsmgr
*/
Kinetics* newKineticsMgr(const string& model);

/**
* Create a new Kinetics instance.
* @ingroup kineticsmgr
*/
shared_ptr<Kinetics> newKinetics(const string& model);

Expand All @@ -59,6 +62,7 @@ shared_ptr<Kinetics> newKinetics(const string& model);
* @param rootNode The root node of the file containing the phase definition,
* which will be treated as the default source for reactions
* @param soln The Solution object that this Kinetics object is being added to.
* @ingroup kineticsmgr
*/
shared_ptr<Kinetics> newKinetics(const vector<shared_ptr<ThermoPhase>>& phases,
const AnyMap& phaseNode,
Expand All @@ -68,6 +72,7 @@ shared_ptr<Kinetics> newKinetics(const vector<shared_ptr<ThermoPhase>>& phases,
//! @see newKinetics(const vector<shared_ptr<ThermoPhase>>&, const AnyMap&, const AnyMap&, shared_ptr<Solution>)
//! @deprecated To be removed after Cantera 3.0;
//! superseded by newKinetics() returning shared_ptr
//! @ingroup kineticsmgr
unique_ptr<Kinetics> newKinetics(const std::vector<ThermoPhase*>& phases,
const AnyMap& phaseNode,
const AnyMap& rootNode=AnyMap());
Expand All @@ -87,6 +92,7 @@ unique_ptr<Kinetics> newKinetics(const std::vector<ThermoPhase*>& phases,
* @since Starting with Cantera 3.0, if the reacting phase is not the first item in the
* `phases` vector, a deprecation warning will be issued. In Cantera 3.1, this
* warning will become an error.
* @ingroup kineticsmgr
*/
shared_ptr<Kinetics> newKinetics(const vector<shared_ptr<ThermoPhase>>& phases,
const string& filename,
Expand All @@ -95,6 +101,7 @@ shared_ptr<Kinetics> newKinetics(const vector<shared_ptr<ThermoPhase>>& phases,
//! @copydoc newKinetics(const vector<shared_ptr<ThermoPhase>>&, const string&, const string&)
//! @deprecated To be removed after Cantera 3.0;
//! superseded by newKinetics() returning shared_ptr
//! @ingroup kineticsmgr
unique_ptr<Kinetics> newKinetics(const std::vector<ThermoPhase*>& phases,
const std::string& filename,
const std::string& phase_name);
Expand All @@ -108,6 +115,7 @@ unique_ptr<Kinetics> newKinetics(const std::vector<ThermoPhase*>& phases,
* to the Kinetics object.
* @param rootNode The root node of the file containing the phase definition,
* which will be treated as the default source for reactions
* @ingroup kineticsmgr
*/
void addReactions(Kinetics& kin, const AnyMap& phaseNode,
const AnyMap& rootNode=AnyMap());
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1 change: 1 addition & 0 deletions include/cantera/kinetics/MultiRate.h
Original file line number Diff line number Diff line change
Expand Up @@ -16,6 +16,7 @@ namespace Cantera
{

//! A class template handling ReactionRate specializations.
//! @ingroup rateEvaluators
template <class RateType, class DataType>
class MultiRate final : public MultiRateBase
{
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1 change: 1 addition & 0 deletions include/cantera/kinetics/MultiRateBase.h
Original file line number Diff line number Diff line change
Expand Up @@ -22,6 +22,7 @@ class Kinetics;
* Because this class has no template parameters, the Kinetics object can store all of
* these rate coefficient evaluators as a `vector<shared_ptr<MultiRateBase>>`. All of
* the actual implementation for this capability is done in the MultiRate class.
* @ingroup rateEvaluators
*/
class MultiRateBase
{
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1 change: 1 addition & 0 deletions include/cantera/kinetics/PlogRate.h
Original file line number Diff line number Diff line change
Expand Up @@ -71,6 +71,7 @@ struct PlogData : public ReactionData
* the rate used in the interpolation formula is the sum of all the rates given
* at that pressure. For pressures outside the given range, the rate expression
* at the nearest pressure is used.
* @ingroup otherRateGroup
*/
class PlogRate final : public ReactionRate
{
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3 changes: 1 addition & 2 deletions include/cantera/kinetics/Reaction.h
Original file line number Diff line number Diff line change
Expand Up @@ -20,8 +20,6 @@ class ThirdBody;
class ArrheniusRate; // @todo Remove after Cantera 3.0
class FalloffRate; // @todo Remove after Cantera 3.0

//! @defgroup reactionGroup Reactions and reaction rates

//! Abstract base class which stores data about a reaction and its rate
//! parameterization so that it can be added to a Kinetics object.
//! @ingroup reactionGroup
Expand Down Expand Up @@ -210,6 +208,7 @@ class Reaction


//! A class for managing third-body efficiencies, including default values
//! @ingroup reactionGroup
class ThirdBody
{
public:
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1 change: 1 addition & 0 deletions include/cantera/kinetics/ReactionData.h
Original file line number Diff line number Diff line change
Expand Up @@ -21,6 +21,7 @@ class Kinetics;
//! Data container holding shared data used for ReactionRate calculation
/**
* The base class defines variables and methods used by all specializations.
* @ingroup reactionGroup
*/
struct ReactionData
{
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1 change: 1 addition & 0 deletions include/cantera/kinetics/ReactionRate.h
Original file line number Diff line number Diff line change
Expand Up @@ -42,6 +42,7 @@ class Reaction;
//! partners, associated `DataType` containers should implement the methods
//! `perturbPressure(double deltaP)` and/or `perturbThirdBodies(double deltaM)`,
//! which allow for the calculation of numerical derivatives.
//! @ingroup reactionGroup
class ReactionRate
{
public:
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1 change: 1 addition & 0 deletions include/cantera/kinetics/ReactionRateDelegator.h
Original file line number Diff line number Diff line change
Expand Up @@ -64,6 +64,7 @@ class ReactionDataDelegator : public Delegator, public ReactionData
//! Delegate methods of the ReactionRate class to external functions
//!
//! @since New in Cantera 3.0
//! @ingroup otherRateGroup
class ReactionRateDelegator : public Delegator, public ReactionRate
{
public:
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