Remove unnecessary explicit specification of namespace Cantera

This commit is contained in:
Ray Speth 2015-06-24 14:45:55 -04:00
parent 079ef0caf9
commit d373e0751e
37 changed files with 130 additions and 134 deletions

View file

@ -12,11 +12,10 @@ namespace Cantera
{ {
//! An interface between multiple bulk phases. //! An interface between multiple bulk phases.
/*! /*!
* This class is defined mostly for convenience. It inherits both from * This class is defined mostly for convenience. It inherits both from SurfPhase
* Cantera::SurfPhase and Cantera::InterfaceKinetics. It therefore * and InterfaceKinetics. It therefore represents a surface phase, and also acts
* represents a surface phase, and also acts as the kinetics * as the kinetics manager to manage reactions occurring on the surface,
* manager to manage reactions occurring on the surface, possibly * possibly involving species from other phases.
* involving species from other phases.
*/ */
class Interface : class Interface :
public SurfPhase, public SurfPhase,
@ -35,21 +34,21 @@ public:
* surface phase * surface phase
*/ */
Interface(const std::string& infile, std::string id, Interface(const std::string& infile, std::string id,
std::vector<Cantera::ThermoPhase*> otherPhases) : std::vector<ThermoPhase*> otherPhases) :
m_ok(false), m_ok(false),
m_r(0) { m_r(0) {
m_r = Cantera::get_XML_File(infile); m_r = get_XML_File(infile);
if (id == "-") { if (id == "-") {
id = ""; id = "";
} }
Cantera::XML_Node* x = Cantera::get_XML_Node("#"+id, m_r); XML_Node* x = get_XML_Node("#"+id, m_r);
if (!x) { if (!x) {
throw Cantera::CanteraError("Interface","error in get_XML_Node"); throw CanteraError("Interface","error in get_XML_Node");
} }
Cantera::importPhase(*x, this); importPhase(*x, this);
otherPhases.push_back(this); otherPhases.push_back(this);
Cantera::importKinetics(*x, otherPhases, this); importKinetics(*x, otherPhases, this);
m_ok = true; m_ok = true;
} }
@ -58,8 +57,8 @@ public:
* @param ii Interface object to be copied. * @param ii Interface object to be copied.
*/ */
Interface(const Interface& ii) : Interface(const Interface& ii) :
Cantera::SurfPhase(ii), SurfPhase(ii),
Cantera::InterfaceKinetics(ii), InterfaceKinetics(ii),
m_ok(ii.m_ok), m_ok(ii.m_ok),
m_r(ii.m_r) { m_r(ii.m_r) {
} }
@ -72,8 +71,8 @@ public:
if (this == &right) { if (this == &right) {
return *this; return *this;
} }
Cantera::SurfPhase::operator=(right); SurfPhase::operator=(right);
Cantera::InterfaceKinetics::operator=(right); InterfaceKinetics::operator=(right);
m_ok = right.m_ok; m_ok = right.m_ok;
m_r = right.m_r; m_r = right.m_r;
return *this; return *this;
@ -98,7 +97,7 @@ protected:
//! XML_Node pointer to the XML File object that contains the Surface and the Interfacial Reaction object //! XML_Node pointer to the XML File object that contains the Surface and the Interfacial Reaction object
//! description //! description
Cantera::XML_Node* m_r; XML_Node* m_r;
}; };
//! Import an instance of class Interface from a specification in an input file. //! Import an instance of class Interface from a specification in an input file.
@ -107,7 +106,7 @@ protected:
*/ */
inline Interface* importInterface(const std::string& infile, inline Interface* importInterface(const std::string& infile,
const std::string& id, const std::string& id,
std::vector<Cantera::ThermoPhase*> phases) std::vector<ThermoPhase*> phases)
{ {
return new Interface(infile, id, phases); return new Interface(infile, id, phases);
} }

View file

@ -267,7 +267,7 @@ void clear_FENV();
* @ingroup errorhandling * @ingroup errorhandling
*/ */
#ifndef AssertTrace #ifndef AssertTrace
# define AssertTrace(expr) ((expr) ? (void) 0 : throw Cantera::CanteraError(STR_TRACE, std::string("failed assert: ") + #expr)) # define AssertTrace(expr) ((expr) ? (void) 0 : throw CanteraError(STR_TRACE, std::string("failed assert: ") + #expr))
#endif #endif
//! Assertion must be true or an error is thrown //! Assertion must be true or an error is thrown
@ -280,7 +280,7 @@ void clear_FENV();
* @ingroup errorhandling * @ingroup errorhandling
*/ */
#ifndef AssertThrow #ifndef AssertThrow
# define AssertThrow(expr, procedure) ((expr) ? (void) 0 : throw Cantera::CanteraError(procedure, std::string("failed assert: ") + #expr)) # define AssertThrow(expr, procedure) ((expr) ? (void) 0 : throw CanteraError(procedure, std::string("failed assert: ") + #expr))
#endif #endif
//! Assertion must be true or an error is thrown //! Assertion must be true or an error is thrown
@ -298,7 +298,7 @@ void clear_FENV();
* @ingroup errorhandling * @ingroup errorhandling
*/ */
#ifndef AssertThrowMsg #ifndef AssertThrowMsg
# define AssertThrowMsg(expr, procedure, message) ((expr) ? (void) 0 : throw Cantera::CanteraError(procedure + std::string(": at failed assert: \"") + std::string(#expr) + std::string("\""), message)) # define AssertThrowMsg(expr, procedure, message) ((expr) ? (void) 0 : throw CanteraError(procedure + std::string(": at failed assert: \"") + std::string(#expr) + std::string("\""), message))
#endif #endif
#endif #endif

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@ -709,7 +709,7 @@ private:
* @param x Reference to a MultiPhase * @param x Reference to a MultiPhase
* @return returns a reference to the ostream * @return returns a reference to the ostream
*/ */
inline std::ostream& operator<<(std::ostream& s, Cantera::MultiPhase& x) inline std::ostream& operator<<(std::ostream& s, MultiPhase& x)
{ {
size_t ip; size_t ip;
for (ip = 0; ip < x.nPhases(); ip++) { for (ip = 0; ip < x.nPhases(); ip++) {

View file

@ -69,14 +69,14 @@ public:
/*! /*!
* Kinetics object pointer * Kinetics object pointer
*/ */
Cantera::Kinetics* m_kinetics; Kinetics* m_kinetics;
//! This kinetics operator is associated with multiple //! This kinetics operator is associated with multiple
//! homogeneous and surface phases. //! homogeneous and surface phases.
/*! /*!
* This object owns the Kinetics object * This object owns the Kinetics object
*/ */
Cantera::InterfaceKinetics* m_InterfaceKinetics; InterfaceKinetics* m_InterfaceKinetics;
int m_nKinSpecies; int m_nKinSpecies;

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@ -34,7 +34,7 @@ public:
* @param kinPtr Pointer to the kinetics base class * @param kinPtr Pointer to the kinetics base class
* @param irxn Specific reaction index. * @param irxn Specific reaction index.
*/ */
RxnMolChange(Cantera::Kinetics* kinPtr, int irxn); RxnMolChange(Kinetics* kinPtr, int irxn);
//! Destructor //! Destructor
~RxnMolChange() {} ~RxnMolChange() {}
@ -44,7 +44,7 @@ public:
* @param kinPtr Pointer to the kinetics base class * @param kinPtr Pointer to the kinetics base class
* @param egr Specific reaction index. * @param egr Specific reaction index.
*/ */
RxnMolChange(Cantera::Kinetics* kinPtr, Cantera::ExtraGlobalRxn* egr); RxnMolChange(Kinetics* kinPtr, ExtraGlobalRxn* egr);
//! Vector of mole changes for each phase in the Kinetics object due to the current reaction //! Vector of mole changes for each phase in the Kinetics object due to the current reaction
/*! /*!
@ -92,7 +92,7 @@ public:
int m_nPhases; int m_nPhases;
//! Shallow pointer pointing to the kinetics object //! Shallow pointer pointing to the kinetics object
Cantera::Kinetics* m_kinBase; Kinetics* m_kinBase;
//! Reaction number within the kinetics object //! Reaction number within the kinetics object
/*! /*!
@ -111,7 +111,7 @@ public:
/*! /*!
* This is 0, if the class refers to a single reaction in the kinetics object * This is 0, if the class refers to a single reaction in the kinetics object
*/ */
Cantera::ExtraGlobalRxn* m_egr; ExtraGlobalRxn* m_egr;
}; };
} }

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@ -1127,10 +1127,10 @@ private:
/*! /*!
* The Jacobian stored here is the raw matrix, before any row or column scaling is carried out * The Jacobian stored here is the raw matrix, before any row or column scaling is carried out
*/ */
Cantera::GeneralMatrix* jacCopyPtr_; GeneralMatrix* jacCopyPtr_;
//! Hessian //! Hessian
Cantera::GeneralMatrix* HessianPtr_; GeneralMatrix* HessianPtr_;
/********************************************************************************************* /*********************************************************************************************
* VARIABLES ASSOCIATED WITH STEPS AND ASSOCIATED DOUBLE DOGLEG PARAMETERS * VARIABLES ASSOCIATED WITH STEPS AND ASSOCIATED DOUBLE DOGLEG PARAMETERS

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@ -593,7 +593,7 @@ public:
* *
* @param phaseNode XML_Node for the current phase * @param phaseNode XML_Node for the current phase
*/ */
virtual void installSlavePhases(Cantera::XML_Node* phaseNode); virtual void installSlavePhases(XML_Node* phaseNode);
//! Set equation of state parameter values from XML entries. //! Set equation of state parameter values from XML entries.
/*! /*!

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@ -782,7 +782,7 @@ protected:
//@} //@}
class spinodalFunc : public Cantera::ResidEval class spinodalFunc : public ResidEval
{ {
public: public:
spinodalFunc(MixtureFugacityTP* tp); spinodalFunc(MixtureFugacityTP* tp);

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@ -50,7 +50,7 @@ public:
* Note, after the constructor, we will own the underlying * Note, after the constructor, we will own the underlying
* Nasa9Poly1 objects and be responsible for owning them. * Nasa9Poly1 objects and be responsible for owning them.
*/ */
Nasa9PolyMultiTempRegion(std::vector<Cantera::Nasa9Poly1*> &regionPts); Nasa9PolyMultiTempRegion(std::vector<Nasa9Poly1*> &regionPts);
//! Copy constructor //! Copy constructor
/*! /*!

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@ -1518,7 +1518,7 @@ public:
* *
* @param phaseNode XML Element for the phase * @param phaseNode XML Element for the phase
*/ */
virtual void installSlavePhases(Cantera::XML_Node* phaseNode); virtual void installSlavePhases(XML_Node* phaseNode);
//! Set the equation of state parameters //! Set the equation of state parameters
/*! /*!

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@ -53,19 +53,18 @@ class PDSS_Water;
* *
* Whether charge neutrality is necessary for a phase is also specified within * Whether charge neutrality is necessary for a phase is also specified within
* the ThermoPhase object, by the function call * the ThermoPhase object, by the function call
* ThermoPhase::chargeNeutralityNecessary(). Note, that it is not necessary * ThermoPhase::chargeNeutralityNecessary(). Note, that it is not necessary for
* for the IdealGas phase, currently. However, it is necessary for liquid * the IdealGas phase, currently. However, it is necessary for liquid phases
* phases such as Cantera::DebyeHuckel and Cantera::HMWSoln for the proper * such as DebyeHuckel and HMWSoln for the proper specification of the chemical
* specification of the chemical potentials. * potentials.
* *
* This equation, when applied to the \f$ \zeta_k \f$ equation described * This equation, when applied to the \f$ \zeta_k \f$ equation described
* above, results in a zero net change in the effective Gibbs free energy of * above, results in a zero net change in the effective Gibbs free energy of
* the phase. However, specific charged species in the phase may increase or * the phase. However, specific charged species in the phase may increase or
* decrease their electrochemical potentials, which will have an effect on * decrease their electrochemical potentials, which will have an effect on
* interfacial reactions involving charged species, when there is a potential * interfacial reactions involving charged species, when there is a potential
* drop between phases. This effect is used within the * drop between phases. This effect is used within the InterfaceKinetics and
* Cantera::InterfaceKinetics and Cantera::EdgeKinetics kinetics objects * EdgeKinetics kinetics objects classes.
* classes.
* *
* <H3> Electrothermochemical Properties of Phases of Matter. </H3> * <H3> Electrothermochemical Properties of Phases of Matter. </H3>
* *

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@ -26,7 +26,7 @@ public:
LiquidTransportParams& operator=(const LiquidTransportParams& right); LiquidTransportParams& operator=(const LiquidTransportParams& right);
//! Species transport parameters //! Species transport parameters
std::vector<Cantera::LiquidTransportData> LTData; std::vector<LiquidTransportData> LTData;
//! Object that specifies the viscosity interaction for the mixture //! Object that specifies the viscosity interaction for the mixture
LiquidTranInteraction* viscosity; LiquidTranInteraction* viscosity;

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@ -92,7 +92,7 @@ public:
//! Set a function of a single variable that is used in determining the //! Set a function of a single variable that is used in determining the
//! mass flow rate through the device. The meaning of this function //! mass flow rate through the device. The meaning of this function
//! depends on the parameterization of the derived type. //! depends on the parameterization of the derived type.
void setFunction(Cantera::Func1* f); void setFunction(Func1* f);
//! Set the fixed mass flow rate (kg/s) through the flow device. //! Set the fixed mass flow rate (kg/s) through the flow device.
void setMassFlowRate(doublereal mdot) { void setMassFlowRate(doublereal mdot) {
@ -101,7 +101,7 @@ public:
protected: protected:
doublereal m_mdot; doublereal m_mdot;
Cantera::Func1* m_func; Func1* m_func;
vector_fp m_coeffs; vector_fp m_coeffs;
int m_type; int m_type;

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@ -14,7 +14,7 @@
namespace Cantera namespace Cantera
{ {
class ReactorFactory : Cantera::FactoryBase class ReactorFactory : FactoryBase
{ {
public: public:

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@ -20,7 +20,7 @@ namespace Cantera
* a network of reactors (Reactor, ConstPressureReactor) connected by various * a network of reactors (Reactor, ConstPressureReactor) connected by various
* means, e.g. Wall, MassFlowController, Valve, PressureController. * means, e.g. Wall, MassFlowController, Valve, PressureController.
*/ */
class ReactorNet : public Cantera::FuncEval class ReactorNet : public FuncEval
{ {
public: public:
ReactorNet(); ReactorNet();

View file

@ -20,7 +20,7 @@ public:
} }
virtual void initialize(doublereal t0 = 0.0) {} virtual void initialize(doublereal t0 = 0.0) {}
void insert(Cantera::ThermoPhase& contents) { void insert(ThermoPhase& contents) {
setThermoMgr(contents); setThermoMgr(contents);
} }
}; };

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@ -83,8 +83,8 @@ public:
//! Set the emissivity. //! Set the emissivity.
void setEmissivity(doublereal epsilon) { void setEmissivity(doublereal epsilon) {
if (epsilon > 1.0 || epsilon < 0.0) if (epsilon > 1.0 || epsilon < 0.0)
throw Cantera::CanteraError("Wall::setEmissivity", throw CanteraError("Wall::setEmissivity",
"emissivity must be between 0.0 and 1.0"); "emissivity must be between 0.0 and 1.0");
m_emiss = epsilon; m_emiss = epsilon;
} }
@ -93,7 +93,7 @@ public:
} }
//! Set the wall velocity to a specified function of time //! Set the wall velocity to a specified function of time
void setVelocity(Cantera::Func1* f=0) { void setVelocity(Func1* f=0) {
if (f) { if (f) {
m_vf = f; m_vf = f;
} }
@ -110,7 +110,7 @@ public:
} }
//! Specify the heat flux function \f$ q_0(t) \f$. //! Specify the heat flux function \f$ q_0(t) \f$.
void setHeatFlux(Cantera::Func1* q) { void setHeatFlux(Func1* q) {
m_qf = q; m_qf = q;
} }
@ -140,18 +140,18 @@ public:
//! Specify the heterogeneous reaction mechanisms for each side of the //! Specify the heterogeneous reaction mechanisms for each side of the
//! wall. Passing a null pointer indicates that there is no reaction //! wall. Passing a null pointer indicates that there is no reaction
//! mechanism for the corresponding wall surface. //! mechanism for the corresponding wall surface.
void setKinetics(Cantera::Kinetics* leftMechanism, void setKinetics(Kinetics* leftMechanism,
Cantera::Kinetics* rightMechanism); Kinetics* rightMechanism);
//! Return a pointer to the surface phase object for the left //! Return a pointer to the surface phase object for the left
//! (`leftright=0`) or right (`leftright=1`) wall surface. //! (`leftright=0`) or right (`leftright=1`) wall surface.
Cantera::SurfPhase* surface(int leftright) { SurfPhase* surface(int leftright) {
return m_surf[leftright]; return m_surf[leftright];
} }
//! Return a pointer to the surface kinetics object for the left //! Return a pointer to the surface kinetics object for the left
//! (`leftright=0`) or right (`leftright=1`) wall surface. //! (`leftright=0`) or right (`leftright=1`) wall surface.
Cantera::Kinetics* kinetics(int leftright) { Kinetics* kinetics(int leftright) {
return m_chem[leftright]; return m_chem[leftright];
} }
@ -190,17 +190,17 @@ public:
protected: protected:
ReactorBase* m_left; ReactorBase* m_left;
ReactorBase* m_right; ReactorBase* m_right;
Cantera::Kinetics* m_chem[2]; Kinetics* m_chem[2];
Cantera::SurfPhase* m_surf[2]; SurfPhase* m_surf[2];
size_t m_nsp[2]; size_t m_nsp[2];
doublereal m_area, m_k, m_rrth; doublereal m_area, m_k, m_rrth;
doublereal m_emiss; doublereal m_emiss;
Cantera::Func1* m_vf; Func1* m_vf;
Cantera::Func1* m_qf; Func1* m_qf;
Cantera::vector_fp m_leftcov, m_rightcov; vector_fp m_leftcov, m_rightcov;
std::vector<size_t> m_pleft, m_pright; std::vector<size_t> m_pleft, m_pright;
Cantera::vector_fp m_leftmult_save, m_rightmult_save; vector_fp m_leftmult_save, m_rightmult_save;
}; };
} }

View file

@ -88,7 +88,7 @@ extern "C" {
} }
return FuncCabinet::add(r); return FuncCabinet::add(r);
} catch (...) { } catch (...) {
return Cantera::handleAllExceptions(-1, ERR); return handleAllExceptions(-1, ERR);
} }
} }
@ -168,7 +168,7 @@ extern "C" {
copyString(FuncCabinet::item(i).write(arg), nm, lennm); copyString(FuncCabinet::item(i).write(arg), nm, lennm);
return 0; return 0;
} catch (...) { } catch (...) {
return Cantera::handleAllExceptions(-1, ERR); return handleAllExceptions(-1, ERR);
} }
} }

View file

@ -5,13 +5,11 @@
#include "cantera/equil/MultiPhase.h" #include "cantera/equil/MultiPhase.h"
#include "cantera/numerics/ctlapack.h" #include "cantera/numerics/ctlapack.h"
using namespace Cantera;
using namespace std; using namespace std;
namespace Cantera namespace Cantera
{ {
int BasisOptimize_print_lvl = 0; int BasisOptimize_print_lvl = 0;
}
//! Print a string within a given space limit. //! Print a string within a given space limit.
/*! /*!
@ -25,10 +23,10 @@ int BasisOptimize_print_lvl = 0;
*/ */
static void print_stringTrunc(const char* str, int space, int alignment); static void print_stringTrunc(const char* str, int space, int alignment);
size_t Cantera::BasisOptimize(int* usedZeroedSpecies, bool doFormRxn, size_t BasisOptimize(int* usedZeroedSpecies, bool doFormRxn, MultiPhase* mphase,
MultiPhase* mphase, std::vector<size_t>& orderVectorSpecies, std::vector<size_t>& orderVectorSpecies,
std::vector<size_t>& orderVectorElements, std::vector<size_t>& orderVectorElements,
vector_fp& formRxnMatrix) vector_fp& formRxnMatrix)
{ {
size_t j, jj, k=0, kk, l, i, jl, ml; size_t j, jj, k=0, kk, l, i, jl, ml;
bool lindep; bool lindep;
@ -329,7 +327,7 @@ size_t Cantera::BasisOptimize(int* usedZeroedSpecies, bool doFormRxn,
ct_dgetrs(ctlapack::NoTranspose, nComponents, nNonComponents, &sm[0], ne, ct_dgetrs(ctlapack::NoTranspose, nComponents, nNonComponents, &sm[0], ne,
&ipiv[0], &formRxnMatrix[0], ne, info); &ipiv[0], &formRxnMatrix[0], ne, info);
if (DEBUG_MODE_ENABLED && Cantera::BasisOptimize_print_lvl >= 1) { if (DEBUG_MODE_ENABLED && BasisOptimize_print_lvl >= 1) {
writelog(" ---\n"); writelog(" ---\n");
writelogf(" --- Number of Components = %d\n", nComponents); writelogf(" --- Number of Components = %d\n", nComponents);
writelog(" --- Formula Matrix:\n"); writelog(" --- Formula Matrix:\n");
@ -421,10 +419,10 @@ static void print_stringTrunc(const char* str, int space, int alignment)
} }
} }
size_t Cantera::ElemRearrange(size_t nComponents, const vector_fp& elementAbundances, size_t ElemRearrange(size_t nComponents, const vector_fp& elementAbundances,
MultiPhase* mphase, MultiPhase* mphase,
std::vector<size_t>& orderVectorSpecies, std::vector<size_t>& orderVectorSpecies,
std::vector<size_t>& orderVectorElements) std::vector<size_t>& orderVectorElements)
{ {
size_t j, k, l, i, jl, ml, jr, ielem, jj, kk=0; size_t j, k, l, i, jl, ml, jr, ielem, jj, kk=0;
@ -631,3 +629,5 @@ size_t Cantera::ElemRearrange(size_t nComponents, const vector_fp& elementAbunda
} while (jr < (nComponents-1)); } while (jr < (nComponents-1));
return nComponents; return nComponents;
} }
}

View file

@ -16,10 +16,10 @@ using namespace std;
#include <cstdio> #include <cstdio>
int Cantera::ChemEquil_print_lvl = 0;
namespace Cantera namespace Cantera
{ {
int ChemEquil_print_lvl = 0;
int _equilflag(const char* xy) int _equilflag(const char* xy)
{ {

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@ -40,7 +40,6 @@
using namespace std; using namespace std;
using namespace Cantera;
namespace Cantera { namespace Cantera {

View file

@ -66,7 +66,7 @@ std::ostream& Group::fmt(std::ostream& s,
return s; return s;
} }
std::ostream& operator<<(std::ostream& s, const Cantera::Group& g) std::ostream& operator<<(std::ostream& s, const Group& g)
{ {
if (g.valid()) { if (g.valid()) {
s << g.m_comp; s << g.m_comp;

View file

@ -23,12 +23,11 @@
#include <iostream> #include <iostream>
#include <new> #include <new>
using namespace Cantera;
using namespace std; using namespace std;
namespace Cantera { namespace Cantera {
RxnMolChange::RxnMolChange(Cantera::Kinetics* kinPtr, int irxn) : RxnMolChange::RxnMolChange(Kinetics* kinPtr, int irxn) :
m_nPhases(0), m_nPhases(0),
m_kinBase(kinPtr), m_kinBase(kinPtr),
m_iRxn(irxn), m_iRxn(irxn),
@ -55,7 +54,7 @@ RxnMolChange::RxnMolChange(Cantera::Kinetics* kinPtr, int irxn) :
for (int kKin = 0; kKin < m_kk; kKin++) { for (int kKin = 0; kKin < m_kk; kKin++) {
iph = static_cast<int>(m_kinBase->speciesPhaseIndex(kKin)); iph = static_cast<int>(m_kinBase->speciesPhaseIndex(kKin));
Cantera::ThermoPhase& tpRef = m_kinBase->thermo(iph); ThermoPhase& tpRef = m_kinBase->thermo(iph);
int kLoc = kKin - static_cast<int>(m_kinBase->kineticsSpeciesIndex(0, iph)); int kLoc = kKin - static_cast<int>(m_kinBase->kineticsSpeciesIndex(0, iph));
double rsc = m_kinBase->reactantStoichCoeff(kKin, irxn); double rsc = m_kinBase->reactantStoichCoeff(kKin, irxn);
double psc = m_kinBase->productStoichCoeff(kKin, irxn); double psc = m_kinBase->productStoichCoeff(kKin, irxn);
@ -70,7 +69,7 @@ RxnMolChange::RxnMolChange(Cantera::Kinetics* kinPtr, int irxn) :
} }
for (iph = 0; iph < m_nPhases; iph++) { for (iph = 0; iph < m_nPhases; iph++) {
Cantera::ThermoPhase& tpRef = m_kinBase->thermo(iph); ThermoPhase& tpRef = m_kinBase->thermo(iph);
m_phaseDims[iph] = static_cast<int>(tpRef.nDim()); m_phaseDims[iph] = static_cast<int>(tpRef.nDim());
m_phaseTypes[iph] = tpRef.eosType(); m_phaseTypes[iph] = tpRef.eosType();
if (m_phaseChargeChange[iph] != 0.0) { if (m_phaseChargeChange[iph] != 0.0) {
@ -82,17 +81,17 @@ RxnMolChange::RxnMolChange(Cantera::Kinetics* kinPtr, int irxn) :
} }
if (m_ChargeTransferInRxn) { if (m_ChargeTransferInRxn) {
Cantera::InterfaceKinetics* iK = dynamic_cast<Cantera::InterfaceKinetics*>(kinPtr); InterfaceKinetics* iK = dynamic_cast<InterfaceKinetics*>(kinPtr);
if (iK) { if (iK) {
m_beta = iK->electrochem_beta(irxn); m_beta = iK->electrochem_beta(irxn);
} else { } else {
throw Cantera::CanteraError("RxnMolChange", "unknown condition on charge"); throw CanteraError("RxnMolChange", "unknown condition on charge");
} }
} }
} }
RxnMolChange::RxnMolChange(Cantera::Kinetics* kinPtr, Cantera::ExtraGlobalRxn* egr) : RxnMolChange::RxnMolChange(Kinetics* kinPtr, ExtraGlobalRxn* egr) :
m_nPhases(0), m_nPhases(0),
m_kinBase(kinPtr), m_kinBase(kinPtr),
m_iRxn(-1), m_iRxn(-1),

View file

@ -67,14 +67,14 @@ extern "C" {
try { try {
double* ydata = NV_DATA_S(y); //N_VDATA(y); double* ydata = NV_DATA_S(y); //N_VDATA(y);
double* ydotdata = NV_DATA_S(ydot); //N_VDATA(ydot); double* ydotdata = NV_DATA_S(ydot); //N_VDATA(ydot);
Cantera::FuncData* d = (Cantera::FuncData*)f_data; FuncData* d = (FuncData*)f_data;
Cantera::FuncEval* f = d->m_func; FuncEval* f = d->m_func;
if (d->m_pars.size() == 0) { if (d->m_pars.size() == 0) {
f->eval(t, ydata, ydotdata, NULL); f->eval(t, ydata, ydotdata, NULL);
} else { } else {
f->eval(t, ydata, ydotdata, DATA_PTR(d->m_pars)); f->eval(t, ydata, ydotdata, DATA_PTR(d->m_pars));
} }
} catch (Cantera::CanteraError& err) { } catch (CanteraError& err) {
std::cerr << err.what() << std::endl; std::cerr << err.what() << std::endl;
return 1; // possibly recoverable error return 1; // possibly recoverable error
} catch (...) { } catch (...) {

View file

@ -103,7 +103,7 @@ int solveProb::solve(int ifunc, doublereal time_scale,
#ifdef DEBUG_SOLVEPROB #ifdef DEBUG_SOLVEPROB
#ifdef DEBUG_SOLVEPROB_TIME #ifdef DEBUG_SOLVEPROB_TIME
Cantera::clockWC wc; clockWC wc;
if (m_ioflag) { if (m_ioflag) {
t1 = wc.secondsWC(); t1 = wc.secondsWC();
} }

View file

@ -325,7 +325,7 @@ void LatticeSolidPhase::getGibbs_ref(doublereal* g) const
} }
} }
void LatticeSolidPhase::installSlavePhases(Cantera::XML_Node* phaseNode) void LatticeSolidPhase::installSlavePhases(XML_Node* phaseNode)
{ {
size_t kk = 0; size_t kk = 0;
size_t kstart = 0; size_t kstart = 0;

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@ -688,9 +688,9 @@ int MixtureFugacityTP::corr0(doublereal TKelvin, doublereal pres, doublereal& de
doublereal densGas = densityCalc(TKelvin, pres, FLUID_GAS, densGasGuess); doublereal densGas = densityCalc(TKelvin, pres, FLUID_GAS, densGasGuess);
if (densGas <= 0.0) { if (densGas <= 0.0) {
if (retn == -1) { if (retn == -1) {
throw Cantera::CanteraError("MixtureFugacityTP::corr0", throw CanteraError("MixtureFugacityTP::corr0",
"Error occurred trying to find gas density at (T,P) = " "Error occurred trying to find gas density at (T,P) = "
+ Cantera::fp2str(TKelvin) + " " + Cantera::fp2str(pres)); + fp2str(TKelvin) + " " + fp2str(pres));
} }
retn = -2; retn = -2;
} else { } else {

View file

@ -1420,7 +1420,7 @@ int RedlichKwongMFTP::NicholsSolve(double TKelvin, double pres, doublereal a, do
doublereal val = acos(tmp); doublereal val = acos(tmp);
doublereal theta = val / 3.0; doublereal theta = val / 3.0;
doublereal oo = 2. * Cantera::Pi / 3.; doublereal oo = 2. * Pi / 3.;
doublereal alpha = xN + 2. * delta * cos(theta); doublereal alpha = xN + 2. * delta * cos(theta);
doublereal beta = xN + 2. * delta * cos(theta + oo); doublereal beta = xN + 2. * delta * cos(theta + oo);

View file

@ -725,7 +725,7 @@ void ThermoPhase::initThermo()
} }
xMol_Ref.resize(m_kk, 0.0); xMol_Ref.resize(m_kk, 0.0);
} }
void ThermoPhase::installSlavePhases(Cantera::XML_Node* phaseNode) void ThermoPhase::installSlavePhases(XML_Node* phaseNode)
{ {
} }

View file

@ -126,11 +126,11 @@ doublereal WaterPropsIAPWS::density(doublereal temperature, doublereal pressure,
*/ */
rhoguess = 1000.; rhoguess = 1000.;
} else if (phase == WATER_UNSTABLELIQUID || phase == WATER_UNSTABLEGAS) { } else if (phase == WATER_UNSTABLELIQUID || phase == WATER_UNSTABLEGAS) {
throw Cantera::CanteraError("WaterPropsIAPWS::density", throw CanteraError("WaterPropsIAPWS::density",
"Unstable Branch finder is untested"); "Unstable Branch finder is untested");
} else { } else {
throw Cantera::CanteraError("WaterPropsIAPWS::density", throw CanteraError("WaterPropsIAPWS::density",
"unknown state: " + Cantera::int2str(phase)); "unknown state: " + int2str(phase));
} }
} }
} else { } else {
@ -187,11 +187,11 @@ doublereal WaterPropsIAPWS::density_const(doublereal pressure,
*/ */
rhoguess = 1000.; rhoguess = 1000.;
} else if (phase == WATER_UNSTABLELIQUID || phase == WATER_UNSTABLEGAS) { } else if (phase == WATER_UNSTABLELIQUID || phase == WATER_UNSTABLEGAS) {
throw Cantera::CanteraError("WaterPropsIAPWS::density", throw CanteraError("WaterPropsIAPWS::density",
"Unstable Branch finder is untested"); "Unstable Branch finder is untested");
} else { } else {
throw Cantera::CanteraError("WaterPropsIAPWS::density", throw CanteraError("WaterPropsIAPWS::density",
"unknown state: " + Cantera::int2str(phase)); "unknown state: " + int2str(phase));
} }
} }
} else { } else {
@ -314,18 +314,18 @@ void WaterPropsIAPWS::corr(doublereal temperature, doublereal pressure,
densLiq = density(temperature, pressure, WATER_LIQUID, densLiq); densLiq = density(temperature, pressure, WATER_LIQUID, densLiq);
if (densLiq <= 0.0) { if (densLiq <= 0.0) {
throw Cantera::CanteraError("WaterPropsIAPWS::corr", throw CanteraError("WaterPropsIAPWS::corr",
"Error occurred trying to find liquid density at (T,P) = " "Error occurred trying to find liquid density at (T,P) = "
+ Cantera::fp2str(temperature) + " " + Cantera::fp2str(pressure)); + fp2str(temperature) + " " + fp2str(pressure));
} }
setState_TR(temperature, densLiq); setState_TR(temperature, densLiq);
doublereal gibbsLiqRT = m_phi->gibbs_RT(); doublereal gibbsLiqRT = m_phi->gibbs_RT();
densGas = density(temperature, pressure, WATER_GAS, densGas); densGas = density(temperature, pressure, WATER_GAS, densGas);
if (densGas <= 0.0) { if (densGas <= 0.0) {
throw Cantera::CanteraError("WaterPropsIAPWS::corr", throw CanteraError("WaterPropsIAPWS::corr",
"Error occurred trying to find gas density at (T,P) = " "Error occurred trying to find gas density at (T,P) = "
+ Cantera::fp2str(temperature) + " " + Cantera::fp2str(pressure)); + fp2str(temperature) + " " + fp2str(pressure));
} }
setState_TR(temperature, densGas); setState_TR(temperature, densGas);
doublereal gibbsGasRT = m_phi->gibbs_RT(); doublereal gibbsGasRT = m_phi->gibbs_RT();
@ -339,18 +339,18 @@ void WaterPropsIAPWS::corr1(doublereal temperature, doublereal pressure,
densLiq = density(temperature, pressure, WATER_LIQUID, densLiq); densLiq = density(temperature, pressure, WATER_LIQUID, densLiq);
if (densLiq <= 0.0) { if (densLiq <= 0.0) {
throw Cantera::CanteraError("WaterPropsIAPWS::corr1", throw CanteraError("WaterPropsIAPWS::corr1",
"Error occurred trying to find liquid density at (T,P) = " "Error occurred trying to find liquid density at (T,P) = "
+ Cantera::fp2str(temperature) + " " + Cantera::fp2str(pressure)); + fp2str(temperature) + " " + fp2str(pressure));
} }
setState_TR(temperature, densLiq); setState_TR(temperature, densLiq);
doublereal prL = m_phi->phiR(); doublereal prL = m_phi->phiR();
densGas = density(temperature, pressure, WATER_GAS, densGas); densGas = density(temperature, pressure, WATER_GAS, densGas);
if (densGas <= 0.0) { if (densGas <= 0.0) {
throw Cantera::CanteraError("WaterPropsIAPWS::corr1", throw CanteraError("WaterPropsIAPWS::corr1",
"Error occurred trying to find gas density at (T,P) = " "Error occurred trying to find gas density at (T,P) = "
+ Cantera::fp2str(temperature) + " " + Cantera::fp2str(pressure)); + fp2str(temperature) + " " + fp2str(pressure));
} }
setState_TR(temperature, densGas); setState_TR(temperature, densGas);
doublereal prG = m_phi->phiR(); doublereal prG = m_phi->phiR();
@ -397,8 +397,8 @@ doublereal WaterPropsIAPWS::psat(doublereal temperature, int waterState)
} else if (waterState == WATER_GAS) { } else if (waterState == WATER_GAS) {
setState_TR(temperature, densGas); setState_TR(temperature, densGas);
} else { } else {
throw Cantera::CanteraError("WaterPropsIAPWS::psat", throw CanteraError("WaterPropsIAPWS::psat",
"unknown water state input: " + Cantera::int2str(waterState)); "unknown water state input: " + int2str(waterState));
} }
return p; return p;
} }
@ -525,8 +525,8 @@ doublereal WaterPropsIAPWS::densSpinodalWater() const
} }
if (!conv) { if (!conv) {
throw Cantera::CanteraError(" WaterPropsIAPWS::densSpinodalWater()", throw CanteraError("WaterPropsIAPWS::densSpinodalWater()",
" convergence failure"); "convergence failure");
} }
// Restore the original delta // Restore the original delta
delta = delta_save; delta = delta_save;
@ -617,8 +617,8 @@ doublereal WaterPropsIAPWS::densSpinodalSteam() const
} }
if (!conv) { if (!conv) {
throw Cantera::CanteraError(" WaterPropsIAPWS::densSpinodalSteam()", throw CanteraError("WaterPropsIAPWS::densSpinodalSteam()",
" convergence failure"); "convergence failure");
} }
// Restore the original delta // Restore the original delta
delta = delta_save; delta = delta_save;

View file

@ -460,7 +460,7 @@ void LTI_Pairwise_Interaction::setParameters(LiquidTransportParams& trParam)
m_diagonals.resize(nsp, 0); m_diagonals.resize(nsp, 0);
for (size_t k = 0; k < nsp; k++) { for (size_t k = 0; k < nsp; k++) {
Cantera::LiquidTransportData& ltd = trParam.LTData[k]; LiquidTransportData& ltd = trParam.LTData[k];
if (ltd.speciesDiffusivity) { if (ltd.speciesDiffusivity) {
m_diagonals[k] = ltd.speciesDiffusivity; m_diagonals[k] = ltd.speciesDiffusivity;
} }
@ -537,7 +537,7 @@ void LTI_StefanMaxwell_PPN::setParameters(LiquidTransportParams& trParam)
} }
for (size_t k = 0; k < nsp; k++) { for (size_t k = 0; k < nsp; k++) {
Cantera::LiquidTransportData& ltd = trParam.LTData[k]; LiquidTransportData& ltd = trParam.LTData[k];
m_ionCondSpecies[k] = ltd.ionConductivity; m_ionCondSpecies[k] = ltd.ionConductivity;
for (size_t j = 0; j < nsp2; j++) { for (size_t j = 0; j < nsp2; j++) {
m_mobRatSpecies[j][k] = ltd.mobilityRatio[j]; m_mobRatSpecies[j][k] = ltd.mobilityRatio[j];
@ -683,7 +683,7 @@ void LTI_StokesEinstein::setParameters(LiquidTransportParams& trParam)
m_viscosity.resize(nsp, 0); m_viscosity.resize(nsp, 0);
m_hydroRadius.resize(nsp, 0); m_hydroRadius.resize(nsp, 0);
for (size_t k = 0; k < nsp; k++) { for (size_t k = 0; k < nsp; k++) {
Cantera::LiquidTransportData& ltd = trParam.LTData[k]; LiquidTransportData& ltd = trParam.LTData[k];
m_viscosity[k] = ltd.viscosity; m_viscosity[k] = ltd.viscosity;
m_hydroRadius[k] = ltd.hydroRadius; m_hydroRadius[k] = ltd.hydroRadius;
} }

View file

@ -267,7 +267,7 @@ bool LiquidTransport::initLiquid(LiquidTransportParams& tr)
//for each species, assign viscosity model and coefficients //for each species, assign viscosity model and coefficients
for (size_t k = 0; k < m_nsp; k++) { for (size_t k = 0; k < m_nsp; k++) {
Cantera::LiquidTransportData& ltd = tr.LTData[k]; LiquidTransportData& ltd = tr.LTData[k];
m_viscTempDep_Ns[k] = ltd.viscosity; m_viscTempDep_Ns[k] = ltd.viscosity;
ltd.viscosity = 0; ltd.viscosity = 0;
m_ionCondTempDep_Ns[k] = ltd.ionConductivity; m_ionCondTempDep_Ns[k] = ltd.ionConductivity;
@ -297,7 +297,7 @@ bool LiquidTransport::initLiquid(LiquidTransportParams& tr)
m_diffTempDep_Ns.resize(m_nsp, 0); m_diffTempDep_Ns.resize(m_nsp, 0);
//for each species, assign viscosity model and coefficients //for each species, assign viscosity model and coefficients
for (size_t k = 0; k < m_nsp; k++) { for (size_t k = 0; k < m_nsp; k++) {
Cantera::LiquidTransportData& ltd = tr.LTData[k]; LiquidTransportData& ltd = tr.LTData[k];
if (ltd.speciesDiffusivity != 0) { if (ltd.speciesDiffusivity != 0) {
cout << "Warning: diffusion coefficient data for " cout << "Warning: diffusion coefficient data for "
<< m_thermo->speciesName(k) << m_thermo->speciesName(k)

View file

@ -192,7 +192,7 @@ bool SimpleTransport::initLiquid(LiquidTransportParams& tr)
for (size_t k = 0; k < m_nsp; k++) { for (size_t k = 0; k < m_nsp; k++) {
spName = m_thermo->speciesName(k); spName = m_thermo->speciesName(k);
Cantera::LiquidTransportData& ltd = tr.LTData[k]; LiquidTransportData& ltd = tr.LTData[k];
m_coeffVisc_Ns[k] = ltd.viscosity; m_coeffVisc_Ns[k] = ltd.viscosity;
ltd.viscosity = 0; ltd.viscosity = 0;
} }
@ -206,7 +206,7 @@ bool SimpleTransport::initLiquid(LiquidTransportParams& tr)
for (size_t k = 0; k < m_nsp; k++) { for (size_t k = 0; k < m_nsp; k++) {
spName = m_thermo->speciesName(k); spName = m_thermo->speciesName(k);
Cantera::LiquidTransportData& ltd = tr.LTData[k]; LiquidTransportData& ltd = tr.LTData[k];
m_coeffLambda_Ns[k] = ltd.thermalCond; m_coeffLambda_Ns[k] = ltd.thermalCond;
ltd.thermalCond = 0; ltd.thermalCond = 0;
} }
@ -222,7 +222,7 @@ bool SimpleTransport::initLiquid(LiquidTransportParams& tr)
for (size_t k = 0; k < m_nsp; k++) { for (size_t k = 0; k < m_nsp; k++) {
spName = m_thermo->speciesName(k); spName = m_thermo->speciesName(k);
Cantera::LiquidTransportData& ltd = tr.LTData[k]; LiquidTransportData& ltd = tr.LTData[k];
m_coeffDiff_Ns[k] = ltd.speciesDiffusivity; m_coeffDiff_Ns[k] = ltd.speciesDiffusivity;
ltd.speciesDiffusivity = 0; ltd.speciesDiffusivity = 0;

View file

@ -65,8 +65,8 @@ ReactorBase* ReactorFactory::newReactor(int ir)
case IdealGasConstPressureReactorType: case IdealGasConstPressureReactorType:
return new IdealGasConstPressureReactor(); return new IdealGasConstPressureReactor();
default: default:
throw Cantera::CanteraError("ReactorFactory::newReactor", throw CanteraError("ReactorFactory::newReactor",
"unknown reactor type!"); "unknown reactor type!");
} }
return 0; return 0;
} }

View file

@ -15,7 +15,7 @@ int main(int argc, char** argv)
_set_output_format(_TWO_DIGIT_EXPONENT); _set_output_format(_TWO_DIGIT_EXPONENT);
#endif #endif
try { try {
Cantera::IdealSolnGasVPSS gg("silane.xml", "silane"); IdealSolnGasVPSS gg("silane.xml", "silane");
ThermoPhase* g = &gg; ThermoPhase* g = &gg;
//ThermoPhase *g = newPhase("silane.xml", "silane"); //ThermoPhase *g = newPhase("silane.xml", "silane");
cout.precision(4); cout.precision(4);

View file

@ -69,7 +69,7 @@ int main(int argc, char** argv)
/* /*
* This delete the file logger amongst other things. * This delete the file logger amongst other things.
*/ */
Cantera::appdelete(); appdelete();
return retn; return retn;

View file

@ -27,7 +27,7 @@ int main(int argc, char** argv)
/* /*
* Load in and initialize the * Load in and initialize the
*/ */
Cantera::ThermoPhase* solid = newPhase("NaCl_Solid.xml","NaCl(S)"); ThermoPhase* solid = newPhase("NaCl_Solid.xml","NaCl(S)");
size_t nsp = HMW->nSpecies(); size_t nsp = HMW->nSpecies();
@ -274,14 +274,14 @@ int main(int argc, char** argv)
hmwtbDupl = 0; hmwtbDupl = 0;
delete solid; delete solid;
solid = 0; solid = 0;
Cantera::appdelete(); appdelete();
return retn; return retn;
} catch (CanteraError& err) { } catch (CanteraError& err) {
std::cout << err.what() << std::endl; std::cout << err.what() << std::endl;
Cantera::appdelete(); appdelete();
return -1; return -1;
} }
} }