diff --git a/include/Cantera.h b/include/Cantera.h deleted file mode 100755 index b03a7d51a..000000000 --- a/include/Cantera.h +++ /dev/null @@ -1,25 +0,0 @@ - -#ifndef CANTERA_H_INCL -#define CANTERA_H_INCL - -namespace std{} -using namespace std; - -// definitions -#include "kernel/ct_defs.h" - -// some useful functions -#include "kernel/global.h" - -// the CanteraError exception class -#include "kernel/ctexceptions.h" - -using namespace Cantera; - -#endif - - - - - - diff --git a/include/GRI30.h b/include/GRI30.h deleted file mode 100644 index 5f32f8dbd..000000000 --- a/include/GRI30.h +++ /dev/null @@ -1,43 +0,0 @@ -#ifndef CXX_IDEALGASMIX -#define CXX_IDEALGASMIX - -#include - -#include "kernel/IdealGasPhase.h" -#include "kernel/GRI_30_Kinetics.h" -#include "kernel/importCTML.h" - -namespace Cantera { - - class GRI30 : - public IdealGasPhase, public GRI_30_Kinetics - { - public: - GRI30() : m_ok(false), m_r(0) { - m_r = get_XML_File("gri30.xml"); - m_ok = buildSolutionFromXML(*m_r, "gri30", "phase", this, this); - if (!m_ok) throw CanteraError("GRI30", - "buildSolutionFromXML returned false"); - } - - - virtual ~GRI30() {} - - bool operator!() { return !m_ok;} - bool ready() { return m_ok; } - friend ostream& operator<<(ostream& s, GRI30& mix) { - string r = report(mix, true); - s << r; - return s; - } - - protected: - bool m_ok; - XML_Node* m_r; - - private: - }; -} - - -#endif diff --git a/include/IdealGasMix.h b/include/IdealGasMix.h deleted file mode 100644 index 9e4665e7e..000000000 --- a/include/IdealGasMix.h +++ /dev/null @@ -1,49 +0,0 @@ -#ifndef CXX_IDEALGASMIX -#define CXX_IDEALGASMIX - -#include - -#include "kernel/IdealGasPhase.h" -#include "kernel/GasKinetics.h" -#include "kernel/importCTML.h" - -namespace Cantera { - - class IdealGasMix : - public IdealGasPhase, public GasKinetics - { - public: - IdealGasMix(string infile, string id="") : m_ok(false), m_r(0) { - - m_r = get_XML_File(infile); - if (id == "-") id = ""; - m_ok = buildSolutionFromXML(*m_r, id, "phase", this, this); - if (!m_ok) throw CanteraError("IdealGasMix", - "buildSolutionFromXML returned false"); - } - - - IdealGasMix(XML_Node& root, string id) : m_ok(false), m_r(0) { - m_ok = buildSolutionFromXML(root, id, "phase", this, this); - } - - virtual ~IdealGasMix() {} - - bool operator!() { return !m_ok;} - bool ready() { return m_ok; } - friend ostream& operator<<(ostream& s, IdealGasMix& mix) { - string r = report(mix, true); - s << r; - return s; - } - - protected: - bool m_ok; - XML_Node* m_r; - - private: - }; -} - - -#endif diff --git a/include/Interface.h b/include/Interface.h deleted file mode 100644 index 2f0414ec7..000000000 --- a/include/Interface.h +++ /dev/null @@ -1,47 +0,0 @@ -#ifndef CXX_INTERFACE -#define CXX_INTERFACE - -#include - -#include "kernel/SurfPhase.h" -#include "kernel/InterfaceKinetics.h" -#include "kernel/importCTML.h" - -namespace Cantera { - - class Interface : - public SurfPhase, public InterfaceKinetics - { - public: - Interface(string infile, string id, vector phases) - : m_ok(false), m_r(0) { - - m_r = get_XML_File(infile); - if (id == "-") id = ""; - - XML_Node* x = get_XML_Node("#"+id, m_r); - if (!x) - throw CanteraError("Interface","error in get_XML_Node"); - - importPhase(*x, this); - phases.push_back(this); - importKinetics(*x, phases, this); - m_ok = true; - } - - - virtual ~Interface() {} - - bool operator!() { return !m_ok;} - bool ready() { return m_ok; } - - protected: - bool m_ok; - XML_Node* m_r; - - private: - }; -} - - -#endif diff --git a/include/README b/include/README index aca7e258a..486e5891e 100644 --- a/include/README +++ b/include/README @@ -1,4 +1,7 @@ +NOTE: The header files that used to be located here are now in +Cantera/cxx/include. + The header files in this directory are for use in C++ application programs that use Cantera. The Cantera kernel itself does not use these header files. The kernel header files are kept in the same directory diff --git a/include/ctml.h b/include/ctml.h deleted file mode 100755 index 75d861098..000000000 --- a/include/ctml.h +++ /dev/null @@ -1,92 +0,0 @@ -/** - * @file ctml.h - * - * CTML ("Cantera Markup Language") is the variant of XML that Cantera uses - * to store data. These functions read and write it. - * - * see also: importCTML, ck2ctml. - */ - - -/* $Author$ - * $Revision$ - * $Date$ - */ - -// Copyright 2002 California Institute of Technology - - - -#ifndef CT_CTML_H -#define CT_CTML_H - -#include "ct_defs.h" -#include "xml.h" -using namespace Cantera; - -namespace ctml { - - bool isBuiltin(string nm); - - void addBool(XML_Node& node, - string title, - bool val); - - void addInteger(XML_Node& node, - string title, - int val, - string units="", - string type=""); - - void addFloat(XML_Node& node, - string title, - doublereal val, - string units="", - string type="", - doublereal minval = Undef, - doublereal maxval = Undef); - - void addIntegerArray(XML_Node& node, - string title, - int n, - const int* vals, - string units="", - string type="", - doublereal minval=Undef, - doublereal maxval=Undef); - - void addFloatArray(XML_Node& node, - string title, - int n, - const double* vals, - string units="", - string type="", - doublereal minval = Undef, - doublereal maxval = Undef); - - void addString(XML_Node& node, - string title, - string val, - string type=""); - - void getFloatArray(XML_Node& node, - vector_fp& v, bool convert=true); - - void getStringArray(XML_Node& node, vector& v); - void getMap(XML_Node& node, map& m); - void getPairs(XML_Node& node, vector& key, vector& val); - - void getIntegers(XML_Node& node, map& v); - void getFloats(XML_Node& node, map& v, bool convert=true); - doublereal getFloat(XML_Node& parent, string name, string type=""); - void getStrings(XML_Node& node, map& v); - void getFunction(XML_Node& node, string& type, doublereal& xmin, - doublereal& xmax, vector_fp& coeffs); - XML_Node* getByTitle(XML_Node& node, string title); - void getString(XML_Node& node, string title, string& val, - string& type); - - string getString(XML_Node& parent, string name); -} - -#endif diff --git a/include/equilibrium.h b/include/equilibrium.h deleted file mode 100755 index efe63d9dd..000000000 --- a/include/equilibrium.h +++ /dev/null @@ -1,9 +0,0 @@ -/* - * header file providing support for chemical equilibrium. - */ -#ifndef CT_EQUIL_INCL -#define CT_EQUIL_INCL -#include "kernel/ChemEquil.h" -#endif - - diff --git a/include/integrators.h b/include/integrators.h deleted file mode 100755 index 60f34716c..000000000 --- a/include/integrators.h +++ /dev/null @@ -1,6 +0,0 @@ -#ifndef CT_INTEG_H_INCL -#define CT_INTEG_H_INCL - -#include "kernel/CVode.h" - -#endif diff --git a/include/kinetics.h b/include/kinetics.h deleted file mode 100644 index 99c995213..000000000 --- a/include/kinetics.h +++ /dev/null @@ -1,320 +0,0 @@ -/** - * @file Kinetics.h - * - * $Author$ - * $Revision$ - * $Date$ - */ - -// Copyright 2001 California Institute of Technology - -/** - * @defgroup kineticsGroup Kinetics - */ - -#ifndef CT_KINETICS_H -#define CT_KINETICS_H - -#include "ctexceptions.h" -//#include "Phase.h" -#include "ThermoPhase.h" - -namespace Cantera { - - class ReactionData; - - /** - * Public interface for kinetics managers. This class serves as a - * base class to derive 'kinetics managers', which are classes - * that manage homogeneous chemistry within one phase. - */ - class Kinetics { - - public: - - // typedefs - typedef ThermoPhase thermo_t; - - /// Constructor. - Kinetics() : m_ii(0), m_thermo(0), m_index(-1) {} - Kinetics(thermo_t* thermo) - : m_ii(0), m_index(-1) { - if (thermo) { - m_start.push_back(0); - m_thermo.push_back(thermo); - } - } - - /// Destructor. Does nothing. - virtual ~Kinetics() {} // delete m_xml; } - - int index(){ return m_index; } - void setIndex(int index) { m_index = index; } - - //XML_Node& xml() { return *m_xml; } - - /// Identifies subclass. - virtual int type() { return 0; } - - int start(int n) { return m_start[n]; } - - /// Number of reactions - int nReactions() const {return m_ii;} - - /// Number of species - int nTotalSpecies() const { - int n=0, np; - np = nPhases(); - for (int p = 0; p < np; p++) n += thermo(p).nSpecies(); - return n; - } - - /** - * Stoichiometric coefficient of species k as a reactant in - * reaction i. - */ - virtual doublereal reactantStoichCoeff(int k, int i) const { - err("reactantStoichCoeff"); - return -1.0; - } - - /** - * Stoichiometric coefficient of species k as a product in - * reaction i. - */ - virtual doublereal productStoichCoeff(int k, int i) const { - err("productStoichCoeff"); - return -1.0; - } - - - /** - * Returns a read-only reference to the vector of reactant - * index numbers for reaction i. - */ - virtual const vector_int& reactants(int i) const { - return m_reactants[i]; - } - virtual const vector_int& products(int i) const { - return m_products[i]; - } - - /** - * Flag specifying the type of reaction. The legal values and - * their meaning are specific to the particular kinetics - * manager. - */ - virtual int reactionType(int i) const { - err("reactionType"); - return -1; - } - - /** - * @name Reaction Rates Of Progress - */ - //@{ - - /** - * Forward rates of progress. - * Return the forward rates of progress in array fwdROP, which - * must be dimensioned at least as large as the total number - * of reactions. - */ - virtual void getFwdRatesOfProgress(doublereal* fwdROP) { - err("getFwdRatesOfProgress"); - } - - /** - * Reverse rates of progress. - * Return the reverse rates of progress in array revROP, which - * must be dimensioned at least as large as the total number - * of reactions. - */ - virtual void getRevRatesOfProgress(doublereal* revROP) { - err("getRevRatesOfProgress"); - } - - /** - * Net rates of progress. Return the net (forward - reverse) - * rates of progress in array netROP, which must be - * dimensioned at least as large as the total number of - * reactions. - */ - virtual void getNetRatesOfProgress(doublereal* netROP) { - err("getNetRatesOfProgress"); - } - - /** - * True if reaction i has been declared to be reversible. If - * isReversible(i) is false, then the reverse rate of progress - * for reaction i is always zero. - */ - virtual bool isReversible(int i){return false;} - - /** - * Species creation rates [kmol/m^3]. Return the species - * creation rates in array cdot, which must be - * dimensioned at least as large as the total number of - * species. - * - */ - virtual void getCreationRates(doublereal* cdot) { - err("getCreationRates"); - } - - /** - * Species destruction rates [kmol/m^3]. Return the species - * destruction rates in array ddot, which must be - * dimensioned at least as large as the total number of - * species. - * - */ - virtual void getDestructionRates(doublereal* ddot) { - err("getDestructionRates"); - } - - /** - * Species net production rates [kmol/m^3]. Return the species - * net production rates (creation - destruction) in array - * wdot, which must be dimensioned at least as large as the - * total number of species. - */ - virtual void getNetProductionRates(doublereal* wdot) { - err("getNetProductionRates"); - } - - /** - * Equilibrium constants. Return the equilibrium constants of - * the reactions in concentration units in array kc, which - * must be dimensioned at least as large as the total number - * of reactions. - */ - virtual void getEquilibriumConstants(doublereal* kc) { - err("getEquilibriumConstants"); - } - //@} - - - /** - * @name Reaction Mechanism Construction - */ - //@{ - - - /** - * Get the nth Phase object. - */ - //phase_t& phase(int n=0) { return *m_phase[n]; } - //const phase_t& phase(int n=0) const { return *m_phase[n]; } - int nPhases() const { return m_thermo.size(); } - int phaseIndex(string ph) { return m_phaseindex[ph] - 1; } - - /** - * Add a phase. - */ - void addPhase(thermo_t& thermo) { - if (m_thermo.size() > 0) { - m_start.push_back(m_start.back() - + m_thermo.back()->nSpecies()); - } - else { - m_start.push_back(0); - } - m_thermo.push_back(&thermo); - m_phaseindex[m_thermo.back()->id()] = nPhases(); - } - thermo_t& thermo(int n=0) { return *m_thermo[n]; } - const thermo_t& thermo(int n=0) const { return *m_thermo[n]; } - thermo_t& phase(int n=0) { return *m_thermo[n]; } - const thermo_t& phase(int n=0) const { return *m_thermo[n]; } - - int speciesIndex(int k, int n) { - return m_start[n] + k; - } - - int speciesIndex(string nm, string ph = "") { - int np = m_thermo.size(); - int k; - string id; - for (int n = 0; n < np; n++) { - id = thermo(n).id(); - if (ph == id) { - k = thermo(n).speciesIndex(nm); - if (k < 0) return -1; - return k + m_start[n]; - } - else if (ph == "") { - k = thermo(n).speciesIndex(nm); - if (k >= 0) return k + m_start[n]; - } - } - return -2; - } - - /** - * Prepare to add reactions. - */ - virtual void init() {err("init");} - - /// Finished adding reactions. Prepare for use. - virtual void finalize() {err("finalize");} - - virtual void addReaction(const ReactionData& r) {err("addReaction");} - - virtual string reactionString(int i) const { - err("reactionString"); return ""; - } - - - virtual const vector& reactantGroups(int i) - { err("reactantGroups"); return m_dummygroups; } - - virtual const vector& productGroups(int i) - { err("productGroups"); return m_dummygroups; } - - /** - * @name Altering Reaction Rates - * - * These methods alter reaction rates. They are designed - * primarily for carrying out sensitivity analysis. - */ - //@{ - - /// The current value of the multiplier for reaction i. - doublereal multiplier(int i) const {return m_perturb[i];} - - /// Set the multiplier for reaction i to f. - void setMultiplier(int i, doublereal f) {m_perturb[i] = f;} - - //@} - - void incrementRxnCount() { m_ii++; m_perturb.push_back(1.0); } - - virtual bool ready() const {return false;} - - protected: - - int m_ii; - vector_fp m_perturb; - vector m_reactants; - vector m_products; - vector m_thermo; - vector_int m_start; - // XML_Node* m_xml; - map m_phaseindex; - int m_index; - - private: - - vector m_dummygroups; - void err(string m) const { - throw CanteraError("Kinetics::"+m,"Base class method called."); - } - }; - - typedef Kinetics kinetics_t; -} - - - -#endif diff --git a/include/numerics.h b/include/numerics.h deleted file mode 100755 index 79422ec7c..000000000 --- a/include/numerics.h +++ /dev/null @@ -1,7 +0,0 @@ -#ifndef CT_NUM_H_INCL -#define CT_NUM_H_INCL - -#include "kernel/DenseMatrix.h" -#include "kernel/BandMatrix.h" - -#endif diff --git a/include/onedim.h b/include/onedim.h deleted file mode 100755 index 9dc433542..000000000 --- a/include/onedim.h +++ /dev/null @@ -1,11 +0,0 @@ -#ifndef CT_INCL_ONEDIM_H -#define CT_INCL_ONEDIM_H - -#include "kernel/oneD/Sim1D.h" -#include "kernel/oneD/OneDim.h" -#include "kernel/oneD/Domain1D.h" -#include "kernel/oneD/Inlet1D.h" -#include "kernel/oneD/MultiNewton.h" -#include "kernel/oneD/MultiJac.h" -#endif - diff --git a/include/reactionpaths.h b/include/reactionpaths.h deleted file mode 100644 index 3450ae2cf..000000000 --- a/include/reactionpaths.h +++ /dev/null @@ -1,6 +0,0 @@ -#ifndef CT_RXNPATHS_H -#define CT_RXNPATHS_H - -#include "kernel/ReactionPath.h" - -#endif diff --git a/include/surface.h b/include/surface.h deleted file mode 100755 index c530b61ab..000000000 --- a/include/surface.h +++ /dev/null @@ -1,7 +0,0 @@ -#ifndef CT_SURFACE_INCL -#define CT_SURFACE_INCL - -#include "SurfPhase.h" -#include "InterfaceKinetics.h" - -#endif diff --git a/include/transport.h b/include/transport.h deleted file mode 100755 index 793634846..000000000 --- a/include/transport.h +++ /dev/null @@ -1,6 +0,0 @@ -#ifndef CT_TRANSPORT_INCL -#define CT_TRANSPORT_INCL - -#include "kernel/transport/TransportFactory.h" -#include "kernel/transport/DustyGasTransport.h" -#endif diff --git a/include/zerodim.h b/include/zerodim.h deleted file mode 100644 index 6d9c0a339..000000000 --- a/include/zerodim.h +++ /dev/null @@ -1,9 +0,0 @@ -#ifndef CT_INCL_ZERODIM_H -#define CT_INCL_ZERODIM_H - -#include "kernel/zeroD/Reactor.h" -#include "kernel/zeroD/Reservoir.h" -#include "kernel/zeroD/Wall.h" -#include "kernel/zeroD/flowControllers.h" -#endif -