Cantera  2.0
Classes | Namespaces | Functions
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:

Go to the source code of this file.


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


namespace  Cantera
 Provides class Nucleus.


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.