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Cleaned up Doxygen docs for equilibrium functions

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Ray Speth 2013-04-18 22:07:54 +00:00
parent 723cc0a709
commit 28414eb77d
2 changed files with 20 additions and 76 deletions
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51
include/cantera/equil/equil.h
View file

@ -1,13 +1,11 @@
/**
* @file equil.h
* This file contains the definition of some high level general equilibration
* routines.
*/
// Copyright 2001 California Institute of Technology
/**
* @file equil.h
* This file contains the definition of some high level general equilibration
* routines and the text for the module \ref equilfunctions.
*
* It also contains the Module doxygen text for the Equilibration Solver
* capability within %Cantera. see \ref equilfunctions
*/
#ifndef CT_KERNEL_EQUIL_H
#define CT_KERNEL_EQUIL_H
@ -16,27 +14,19 @@
namespace Cantera
{
/*!
* @defgroup equilfunctions Equilibrium Solver Capability
*
* Cantera has several different equilibrium routines.
*/
//@{
//@}
//-----------------------------------------------------------
// convenience functions
//-----------------------------------------------------------
//! Equilibrate a ThermoPhase object
/*!
* Set a single-phase chemical solution to chemical equilibrium.
* This is a convenience function that uses one or the other of
* the two chemical equilibrium solvers. The XY parameter indicates what two
* thermodynamic quantities, other than element composition, are to be held
* constant during the equilibration process.
* Set a single-phase chemical solution to chemical equilibrium. This is a
* convenience function that uses one or the other of the two chemical
* equilibrium solvers. The XY parameter indicates what two thermodynamic
* quantities, other than element composition, are to be held constant during
* the equilibration process.
*
* @param s ThermoPhase object that will be equilibrated.
* @param XY String representation of what two properties
@ -58,11 +48,9 @@ namespace Cantera
* a file in HTML format for viewing in a web browser.
* @see HTML_logs
*
* @return
* Return variable is equal to the number of subroutine attempts
* it took to equilibrate the system.
* @return The number of iterations it took to equilibrate the system.
*
* @ingroup equilfunctions
* @ingroup equilfunctions
*/
int equilibrate(thermo_t& s, const char* XY,
int solver = -1, doublereal rtol = 1.0e-9, int maxsteps = VCS_MAXSTEPS,
@ -74,10 +62,9 @@ int equilibrate(thermo_t& s, const char* XY,
* thermodynamic quantities, other than element composition, are to be held
* constant during the equilibration process.
*
* This is the top-level driver for multiphase equilibrium. It
* doesn't do much more than call the equilibrate method of class
* MultiPhase, except that it adds some messages to the logfile,
* if loglevel is set > 0.
* This is the top-level driver for multiphase equilibrium. It doesn't do
* much more than call the equilibrate method of class MultiPhase, except
* that it adds some messages to the logfile, if loglevel is set > 0.
*
* @param s MultiPhase object that will be equilibrated.
* @param XY String representation of what is being held constant
@ -86,11 +73,9 @@ int equilibrate(thermo_t& s, const char* XY,
* @param maxiter Maximum iterations
* @param loglevel loglevel
*
* @return
* Return variable is equal to the number of subroutine attempts
* it took to equilibrate the system.
* @return The number of iterations it took to equilibrate the system.
*
* @ingroup equilfunctions
* @ingroup equilfunctions
*/
doublereal equilibrate(MultiPhase& s, const char* XY,
doublereal rtol = 1.0e-9, int maxsteps = 5000, int maxiter = 100,

45
src/equil/equilibrate.cpp
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@ -1,8 +1,7 @@
/**
* @file equilibrate.cpp
* Driver routines for the chemical equilibrium solvers.
*
* @file equilibrate.cpp Driver routines for the chemical equilibrium solvers.
*/
#include "cantera/equil/equil.h"
#include "cantera/equil/ChemEquil.h"
#include "cantera/equil/MultiPhaseEquil.h"
@ -12,15 +11,6 @@
namespace Cantera
{
/*
* Set a multiphase mixture to a state of chemical equilibrium.
* This is the top-level driver for multiphase equilibrium. It
* doesn't do much more than call the equilibrate method of class
* MultiPhase, except that it adds some messages to the logfile,
* if loglevel is set > 0.
*
* @ingroup equil
*/
doublereal equilibrate(MultiPhase& s, const char* XY,
doublereal tol, int maxsteps, int maxiter,
int loglevel)
@ -66,37 +56,6 @@ doublereal equilibrate(MultiPhase& s, const char* XY,
return 0.0;
}
/*
* Set a single-phase chemical solution to chemical equilibrium.
* This is a convenience function that uses one or the other of
* the two chemical equilibrium solvers.
*
* @param s The object to set to an equilibrium state
*
* @param XY An integer specifying the two properties to be held
* constant.
*
* @param solver The equilibrium solver to use. If solver = 0,
* the ChemEquil solver will be used, and if solver = 1, the
* MultiPhaseEquil solver will be used (slower than ChemEquil,
* but more stable). If solver < 0 (default, then ChemEquil will
* be tried first, and if it fails MultiPhaseEquil will be tried.
*
* @param maxsteps The maximum number of steps to take to find
* the solution.
*
* @param maxiter For the MultiPhaseEquil solver only, this is
* the maximum number of outer temperature or pressure iterations
* to take when T and/or P is not held fixed.
*
* @param loglevel Controls amount of diagnostic output. loglevel
* = 0 suppresses diagnostics, and increasingly-verbose messages
* are written as loglevel increases. The messages are written to
* a file in HTML format for viewing in a web browser.
* @see HTML_logs
*
* @ingroup equil
*/
int equilibrate(thermo_t& s, const char* XY, int solver,
doublereal rtol, int maxsteps, int maxiter, int loglevel)
{