importKinetics.cpp File Reference

Declarations of global routines for the importing of kinetics data from XML files (see Input File Handling). More...

#include "cantera/kinetics/importKinetics.h"
#include "cantera/thermo/mix_defs.h"
#include <time.h>
#include <memory>
#include "cantera/thermo/speciesThermoTypes.h"
#include "cantera/thermo/ThermoPhase.h"
#include "cantera/thermo/SurfPhase.h"
#include "cantera/thermo/EdgePhase.h"
#include "cantera/thermo/ThermoFactory.h"
#include "cantera/thermo/SpeciesThermoFactory.h"
#include "cantera/kinetics/KineticsFactory.h"
#include "cantera/kinetics/reaction_defs.h"
#include "cantera/kinetics/ReactionData.h"
#include "cantera/base/global.h"
#include "cantera/base/stringUtils.h"
#include "cantera/base/xml.h"
#include "cantera/base/ctml.h"
#include <cstdlib>

Include dependency graph for importKinetics.cpp:

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Classes
class	rxninfo
	these are all used to check for duplicate reactions More...

Namespaces
namespace	Cantera
	Provides class Nucleus.

Functions
void	checkRxnElementBalance (Kinetics &kin, const ReactionData &rdata, doublereal errorTolerance=1.0e-3)
	This function will check a specific reaction to see if the elements balance.
bool	getReagents (const XML_Node &rxn, Kinetics &kin, int rp, std::string default_phase, std::vector< size_t > &spnum, vector_fp &stoich, vector_fp &order, const ReactionRules &rules)
	Get the reactants or products of a reaction.
static void	getArrhenius (const XML_Node &node, int &highlow, doublereal &A, doublereal &b, doublereal &E)
	getArrhenius() parses the xml element called Arrhenius.
static void	getStick (const XML_Node &node, Kinetics &kin, ReactionData &r, doublereal &A, doublereal &b, doublereal &E)
	getStick() processes the XML element called Stick that specifies the sticking coefficient reaction.
static void	getCoverageDependence (const XML_Node &node, thermo_t &surfphase, ReactionData &rdata)
static void	getFalloff (const XML_Node &f, ReactionData &rdata)
	Get falloff parameters for a reaction.
static void	getEfficiencies (const XML_Node &eff, Kinetics &kin, ReactionData &rdata, const ReactionRules &rules)
	Get the enhanced collision efficiencies.
void	getRateCoefficient (const XML_Node &kf, Kinetics &kin, ReactionData &rdata, const ReactionRules &rules)
	Read the rate coefficient data from the XML file.
doublereal	isDuplicateReaction (std::map< int, doublereal > &r1, std::map< int, doublereal > &r2)
	This function returns a ratio if two reactions are duplicates of one another, and 0.0 otherwise.
bool	installReactionArrays (const XML_Node &p, Kinetics &kin, std::string default_phase, bool check_for_duplicates=false)
	Create a new ThermoPhase object and initializes it according to the XML tree database.
bool	importKinetics (const XML_Node &phase, std::vector< ThermoPhase * > th, Kinetics *kin)
	Import a reaction mechanism for a phase or an interface.
bool	buildSolutionFromXML (XML_Node &root, std::string id, std::string nm, ThermoPhase *th, Kinetics *k)
	Build a single-phase ThermoPhase object with associated kinetics mechanism.

Detailed Description

Declarations of global routines for the importing of kinetics data from XML files (see Input File Handling).

This file contains routines which are global routines, i.e., not part of any object. These routine take as input, ctml pointers to data, and pointers to Cantera objects. The purpose of these routines is to initialize the Cantera objects with data from the ctml tree structures.

Definition in file importKinetics.cpp.