KineticsFactory.h

Go to the documentation of this file.

/**
 *  @file KineticsFactory.h
 */
 
// This file is part of Cantera. See License.txt in the top-level directory or
// at https://cantera.org/license.txt for license and copyright information.
 
#ifndef KINETICS_FACTORY_H
#define KINETICS_FACTORY_H
 
#include "Kinetics.h"
#include "cantera/base/FactoryBase.h"
 
namespace Cantera
{
 
class UnknownKineticsModel : public CanteraError
{
public:
    UnknownKineticsModel(const std::string& proc, const std::string& kineticsModel) :
        CanteraError(proc, "Specified Kinetics model "
                     + kineticsModel +
                     " does not match any known type.") {}
};
 
/**
 * Factory for kinetics managers.
 */
class KineticsFactory : public Factory<Kinetics>
{
public:
    static KineticsFactory* factory() {
        std::unique_lock<std::mutex> lock(kinetics_mutex);
        if (!s_factory) {
            s_factory = new KineticsFactory;
        }
        return s_factory;
    }
 
    virtual void deleteFactory() {
        std::unique_lock<std::mutex> lock(kinetics_mutex);
        delete s_factory;
        s_factory = 0;
    }
 
    /**
     * Return a new kinetics manager that implements a reaction mechanism
     * specified in a CTML file. In other words, the kinetics manager, given
     * the rate constants and formulation of the reactions that make up a
     * kinetics mechanism, is responsible for calculating the rates of
     * progress of the reactions and for calculating the source terms for
     * species.
     *
     * @param phase An XML_Node that contains the XML data describing the
     *              phase. Of particular note to this routine is the child XML
     *              element called "kinetics". The element has one attribute
     *              called "model", with a string value. The value of this
     *              string is used to decide which kinetics manager is used to
     *              calculate the reaction mechanism.
     * @param th    Vector of phases. The first phase is the phase in which
     *              the reactions occur, and the subsequent phases (if any)
     *              are e.g. bulk phases adjacent to a reacting surface.
     * @return Pointer to the new kinetics manager.
     *
     * @deprecated The XML input format is deprecated and will be removed in
     *     Cantera 3.0.
     */
    virtual Kinetics* newKinetics(XML_Node& phase, std::vector<ThermoPhase*> th);
 
    /**
     * Return a new, empty kinetics manager.
     */
    virtual Kinetics* newKinetics(const std::string& model);
 
private:
    static KineticsFactory* s_factory;
    KineticsFactory();
    static std::mutex kinetics_mutex;
};
 
/**
 *  Create a new kinetics manager.
 *
 * @deprecated The XML input format is deprecated and will be removed in
 *     Cantera 3.0.
 */
inline Kinetics* newKineticsMgr(XML_Node& phase, std::vector<ThermoPhase*> th)
{
    return KineticsFactory::factory()->newKinetics(phase, th);
}
 
/**
 *  Create a new kinetics manager.
 */
inline Kinetics* newKineticsMgr(const std::string& model)
{
    return KineticsFactory::factory()->newKinetics(model);
}
 
/*!
 * Create a new kinetics manager, initialize it, and add reactions
 *
 * @param phases     Vector of phases containing species which participate in
 *     reactions, with the phase where the reactions occur (lowest-dimensional
 *     phase) listed first.
 * @param phaseNode  Phase entry for the phase where the reactions occur. This
 *     phase definition is used to determine the source of the reactions added
 *     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
 */
unique_ptr<Kinetics> newKinetics(std::vector<ThermoPhase*>& phases,
                                 const AnyMap& phaseNode,
                                 const AnyMap& rootNode=AnyMap());
 
/*!
 * Create a new kinetics manager, initialize it, and add reactions
 *
 * @param phases      Vector of phases containing species which participate in
 *     reactions, with the phase where the reactions occur (lowest-dimensional
 *     phase) listed first.
 * @param filename    File containing the phase definition for the phase where
 *     the reactions occur. Searches the Cantera data for this file.
 * @param phase_name  The name of the reacting phase in the input file (i.e. the
 *     name of the first phase in the `phases` vector)
 */
unique_ptr<Kinetics> newKinetics(std::vector<ThermoPhase*>& phases,
                                 const std::string& filename,
                                 const std::string& phase_name);
 
/*!
 * Add reactions to a Kinetics object
 *
 * @param kin        The Kinetics object to be initialized
 * @param phaseNode  Phase entry for the phase where the reactions occur. This
 *     phase definition is used to determine the source of the reactions added
 *     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
 */
void addReactions(Kinetics& kin, const AnyMap& phaseNode,
                  const AnyMap& rootNode=AnyMap());
 
}
 
#endif