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[docs] Consolidate chemical equilibrium documentation
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ischoegl authored and speth committed Jul 16, 2023
1 parent ea5351a commit 3dc0d96
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Showing 7 changed files with 15 additions and 17 deletions.
5 changes: 3 additions & 2 deletions include/cantera/equil/ChemEquil.h
Expand Up @@ -52,7 +52,8 @@ class EquilOpt
};

/**
* @defgroup equil Chemical Equilibrium
* @defgroup equilGroup Chemical Equilibrium
* @details Classes and functions used for calculating chemical equilibrium.
*/

/**
Expand All @@ -72,7 +73,7 @@ class EquilOpt
* non-zero mole fractions, precisely stoichiometric compositions (for example,
* 2 H2 + O2). In general, if speed is important, this solver should be tried first,
* and if it fails then use MultiPhaseEquil.
* @ingroup equil
* @ingroup equilGroup
*/
class ChemEquil
{
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13 changes: 5 additions & 8 deletions include/cantera/equil/MultiPhase.h
@@ -1,7 +1,7 @@
/**
* @file MultiPhase.h
* Headers for the \link Cantera::MultiPhase MultiPhase\endlink
* object that is used to set up multiphase equilibrium problems (see \ref equilfunctions).
* object that is used to set up multiphase equilibrium problems (see \ref equilGroup).
*/

// This file is part of Cantera. See License.txt in the top-level directory or
Expand All @@ -17,9 +17,6 @@ namespace Cantera

class ThermoPhase;

//! @defgroup equilfunctions Classes and functions used for calculating
//! chemical equilibrium.

//! A class for multiphase mixtures. The mixture can contain any
//! number of phases of any type.
/*!
Expand Down Expand Up @@ -54,7 +51,7 @@ class ThermoPhase;
* of the species in all the phases that comprise the MultiPhase. The ordering
* of species is contiguous with respect to the phase id.
*
* @ingroup equilfunctions
* @ingroup equilGroup
*/
class MultiPhase
{
Expand Down Expand Up @@ -359,7 +356,7 @@ class MultiPhase
* log_level=0 suppresses diagnostics, and increasingly-verbose
* messages are written as loglevel increases.
*
* @ingroup equilfunctions
* @ingroup equilGroup
*/
void equilibrate(const std::string& XY, const std::string& solver="auto",
double rtol=1e-9, int max_steps=50000, int max_iter=100,
Expand Down Expand Up @@ -698,7 +695,7 @@ std::ostream& operator<<(std::ostream& s, MultiPhase& x);
* @param[out] formRxnMatrix
* @return The number of components.
*
* @ingroup equilfunctions
* @ingroup equilGroup
*/
size_t BasisOptimize(int* usedZeroedSpecies, bool doFormRxn,
MultiPhase* mphase, std::vector<size_t>& orderVectorSpecies,
Expand Down Expand Up @@ -741,7 +738,7 @@ size_t BasisOptimize(int* usedZeroedSpecies, bool doFormRxn,
* @param[out] orderVectorElements Output vector containing the order of the
* elements that is necessary for calculation of the formula matrix.
*
* @ingroup equilfunctions
* @ingroup equilGroup
*/
void ElemRearrange(size_t nComponents, const vector_fp& elementAbundances,
MultiPhase* mphase,
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2 changes: 1 addition & 1 deletion include/cantera/equil/MultiPhaseEquil.h
Expand Up @@ -27,7 +27,7 @@ namespace Cantera
* method of class MultiPhase, although there is no reason it cannot be used
* directly in application programs if desired.
*
* @ingroup equil
* @ingroup equilGroup
*/
class MultiPhaseEquil
{
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2 changes: 1 addition & 1 deletion include/cantera/equil/vcs_MultiPhaseEquil.h
Expand Up @@ -25,7 +25,7 @@ namespace Cantera
* argument, and the return parameters are contained in underlying ThermoPhase
* objects.
*
* @ingroup equilfunctions
* @ingroup equilGroup
*/
class vcs_MultiPhaseEquil
{
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4 changes: 2 additions & 2 deletions include/cantera/equil/vcs_solve.h
@@ -1,7 +1,7 @@
/**
* @file vcs_solve.h Header file for the internal object that holds the vcs
* equilibrium problem (see Class \link Cantera::VCS_SOLVE
* VCS_SOLVE\endlink and \ref equilfunctions ).
* VCS_SOLVE\endlink and \ref equilGroup ).
*/

// This file is part of Cantera. See License.txt in the top-level directory or
Expand Down Expand Up @@ -527,7 +527,7 @@ class VCS_SOLVE
* in the private data structure. All references to the species
* properties must employ the ind[] index vector.
* 4. Initialization of arrays to zero.
* 5. Check to see if the problem is well posed (If all the element
* 5. Check to see if the problem is well posed (If all the element
* abundances are zero, the algorithm will fail)
*
* @param printLvl Print level of the routine
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4 changes: 2 additions & 2 deletions include/cantera/thermo/ThermoPhase.h
Expand Up @@ -294,7 +294,7 @@ class ThermoPhase : public Phase

//! Return the speed of sound. Units: m/s.
/*!
* The speed of sound is defined as
* The speed of sound is defined as
* \f[
* c = \sqrt{\left(\frac{\partial P}{\partial\rho}\right)_s}
* \f]
Expand Down Expand Up @@ -1493,7 +1493,7 @@ class ThermoPhase : public Phase
* log_level=0 suppresses diagnostics, and increasingly-verbose
* messages are written as loglevel increases.
*
* @ingroup equilfunctions
* @ingroup equilGroup
*/
void equilibrate(const std::string& XY, const std::string& solver="auto",
double rtol=1e-9, int max_steps=50000, int max_iter=100,
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2 changes: 1 addition & 1 deletion src/equil/MultiPhase.cpp
@@ -1,7 +1,7 @@
/**
* @file MultiPhase.cpp
* Definitions for the \link Cantera::MultiPhase MultiPhase\endlink
* object that is used to set up multiphase equilibrium problems (see \ref equilfunctions).
* object that is used to set up multiphase equilibrium problems (see \ref equilGroup).
*/

// This file is part of Cantera. See License.txt in the top-level directory or
Expand Down

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