Generated CLib API for Cantera's Kinetics class. More...

Collaboration diagram for ctkin Library:

Detailed Description

Generated CLib API for Cantera's Kinetics class.

Warning: This library is an experimental part of the Cantera API and may be changed or removed without notice.

Functions
int32_t	kin_kineticsType (int32_t handle, int32_t bufLen, char *buf)
	Identifies the Kinetics manager type.
int32_t	kin_nReactions (int32_t handle)
	Number of reactions in the reaction mechanism.
int32_t	kin_reaction (int32_t handle, int32_t i)
	Return the Reaction object for reaction i.
int32_t	kin_nPhases (int32_t handle)
	The number of phases participating in the reaction mechanism.
int32_t	kin_phase (int32_t handle, int32_t n)
	Return pointer to phase associated with Kinetics by index.
int32_t	kin_reactionPhase (int32_t handle)
	Return pointer to phase where the reactions occur.
int32_t	kin_phaseIndex (int32_t handle, const char *ph)
	Return the phase index of a phase in the list of phases defined within the object.
int32_t	kin_nTotalSpecies (int32_t handle)
	The total number of species in all phases participating in the kinetics mechanism.
double	kin_reactantStoichCoeff (int32_t handle, int32_t k, int32_t i)
	Stoichiometric coefficient of species k as a reactant in reaction i.
double	kin_productStoichCoeff (int32_t handle, int32_t k, int32_t i)
	Stoichiometric coefficient of species k as a product in reaction i.
int32_t	kin_getFwdRatesOfProgress (int32_t handle, int32_t fwdROPLen, double *fwdROP)
	Return the forward rates of progress of the reactions.
int32_t	kin_getRevRatesOfProgress (int32_t handle, int32_t revROPLen, double *revROP)
	Return the Reverse rates of progress of the reactions.
int32_t	kin_getNetRatesOfProgress (int32_t handle, int32_t netROPLen, double *netROP)
	Net rates of progress.
int32_t	kin_getEquilibriumConstants (int32_t handle, int32_t kcLen, double *kc)
	Get the vector of equilibrium constants in concentration units.
int32_t	kin_getFwdRateConstants (int32_t handle, int32_t kfwdLen, double *kfwd)
	Return the forward rate constants.
int32_t	kin_getRevRateConstants (int32_t handle, int32_t krevLen, double *krev, int32_t doIrreversible)
	Return the reverse rate constants.
int32_t	kin_getCreationRates (int32_t handle, int32_t cdotLen, double *cdot)
	Species creation rates [kmol/m^3/s or kmol/m^2/s].
int32_t	kin_getDestructionRates (int32_t handle, int32_t ddotLen, double *ddot)
	Species destruction rates [kmol/m^3/s or kmol/m^2/s].
int32_t	kin_getNetProductionRates (int32_t handle, int32_t wdotLen, double *wdot)
	Species net production rates [kmol/m^3/s or kmol/m^2/s].
int32_t	kin_getFwdRatesOfProgress_ddT (int32_t handle, int32_t dropLen, double *drop)
	Calculate derivatives for forward rates-of-progress with respect to temperature at constant pressure, molar concentration and mole fractions.
int32_t	kin_getFwdRatesOfProgress_ddP (int32_t handle, int32_t dropLen, double *drop)
	Calculate derivatives for forward rates-of-progress with respect to pressure at constant temperature, molar concentration and mole fractions.
int32_t	kin_getFwdRatesOfProgress_ddC (int32_t handle, int32_t dropLen, double *drop)
	Calculate derivatives for forward rates-of-progress with respect to molar concentration at constant temperature, pressure and mole fractions.
int32_t	kin_getRevRatesOfProgress_ddT (int32_t handle, int32_t dropLen, double *drop)
	Calculate derivatives for reverse rates-of-progress with respect to temperature at constant pressure, molar concentration and mole fractions.
int32_t	kin_getRevRatesOfProgress_ddP (int32_t handle, int32_t dropLen, double *drop)
	Calculate derivatives for reverse rates-of-progress with respect to pressure at constant temperature, molar concentration and mole fractions.
int32_t	kin_getRevRatesOfProgress_ddC (int32_t handle, int32_t dropLen, double *drop)
	Calculate derivatives for reverse rates-of-progress with respect to molar concentration at constant temperature, pressure and mole fractions.
int32_t	kin_getNetRatesOfProgress_ddT (int32_t handle, int32_t dropLen, double *drop)
	Calculate derivatives for net rates-of-progress with respect to temperature at constant pressure, molar concentration and mole fractions.
int32_t	kin_getNetRatesOfProgress_ddP (int32_t handle, int32_t dropLen, double *drop)
	Calculate derivatives for net rates-of-progress with respect to pressure at constant temperature, molar concentration and mole fractions.
int32_t	kin_getNetRatesOfProgress_ddC (int32_t handle, int32_t dropLen, double *drop)
	Calculate derivatives for net rates-of-progress with respect to molar concentration at constant temperature, pressure and mole fractions.
int32_t	kin_getCreationRates_ddT (int32_t handle, int32_t dwdotLen, double *dwdot)
	Calculate derivatives for species creation rates with respect to temperature at constant pressure, molar concentration and mole fractions.
int32_t	kin_getCreationRates_ddP (int32_t handle, int32_t dwdotLen, double *dwdot)
	Calculate derivatives for species creation rates with respect to pressure at constant temperature, molar concentration and mole fractions.
int32_t	kin_getCreationRates_ddC (int32_t handle, int32_t dwdotLen, double *dwdot)
	Calculate derivatives for species creation rates with respect to molar concentration at constant temperature, pressure and mole fractions.
int32_t	kin_getDestructionRates_ddT (int32_t handle, int32_t dwdotLen, double *dwdot)
	Calculate derivatives for species destruction rates with respect to temperature at constant pressure, molar concentration and mole fractions.
int32_t	kin_getDestructionRates_ddP (int32_t handle, int32_t dwdotLen, double *dwdot)
	Calculate derivatives for species destruction rates with respect to pressure at constant temperature, molar concentration and mole fractions.
int32_t	kin_getDestructionRates_ddC (int32_t handle, int32_t dwdotLen, double *dwdot)
	Calculate derivatives for species destruction rates with respect to molar concentration at constant temperature, pressure and mole fractions.
int32_t	kin_getNetProductionRates_ddT (int32_t handle, int32_t dwdotLen, double *dwdot)
	Calculate derivatives for species net production rates with respect to temperature at constant pressure, molar concentration and mole fractions.
int32_t	kin_getNetProductionRates_ddP (int32_t handle, int32_t dwdotLen, double *dwdot)
	Calculate derivatives for species net production rates with respect to pressure at constant temperature, molar concentration and mole fractions.
int32_t	kin_getNetProductionRates_ddC (int32_t handle, int32_t dwdotLen, double *dwdot)
	Calculate derivatives for species net production rates with respect to molar concentration at constant temperature, pressure and mole fractions.
int32_t	kin_getNetProductionRates_ddX (int32_t handle, int32_t bufLen, double *buf)
	Dense composition Jacobian d(net production rate)/dX, column-major (n x n).
int32_t	kin_getNetRatesOfProgress_ddX (int32_t handle, int32_t bufLen, double *buf)
	Dense reaction composition Jacobian d(net rate of progress)/dX, column-major.
double	kin_multiplier (int32_t handle, int32_t i)
	The current value of the multiplier for reaction i.
int32_t	kin_setMultiplier (int32_t handle, int32_t i, double f)
	Set the multiplier for reaction i to f.
int32_t	kin_isReversible (int32_t handle, int32_t i)
	True if reaction i has been declared to be reversible.
int32_t	kin_kineticsSpeciesIndex (int32_t handle, const char *nm)
	Return the index of a species within the phases participating in this kinetic mechanism.
int32_t	kin_advanceCoverages (int32_t handle, double tstep)
	Advance the surface coverages in time.
int32_t	kin_getDeltaEnthalpy (int32_t handle, int32_t deltaHLen, double *deltaH)
	Return the vector of values for the reactions change in enthalpy.
int32_t	kin_getDeltaGibbs (int32_t handle, int32_t deltaGLen, double *deltaG)
	Return the vector of values for the reaction Gibbs free energy change.
int32_t	kin_getDeltaEntropy (int32_t handle, int32_t deltaSLen, double *deltaS)
	Return the vector of values for the reactions change in entropy.
int32_t	kin_getDeltaSSEnthalpy (int32_t handle, int32_t deltaHLen, double *deltaH)
	Return the vector of values for the change in the standard state enthalpies of reaction.
int32_t	kin_getDeltaSSGibbs (int32_t handle, int32_t deltaGLen, double *deltaG)
	Return the vector of values for the reaction standard state Gibbs free energy change.
int32_t	kin_getDeltaSSEntropy (int32_t handle, int32_t deltaSLen, double *deltaS)
	Return the vector of values for the change in the standard state entropies for each reaction.
int32_t	kin_del (int32_t handle)
	Delete Kinetics object.
int32_t	kin_cabinetSize ()
	Return size of Kinetics storage.

Function Documentation

◆ kin_kineticsType()

int32_t kin_kineticsType	(	int32_t	handle,
		int32_t	bufLen,
		char *	buf )

Identifies the Kinetics manager type.

Wraps C++ getter: virtual string Kinetics::kineticsType()

Parameters

	handle	Handle to queried Kinetics object.
[in]	bufLen	Length of reserved array.
[out]	buf	Returned string value.

Returns: Actual length of string including string-terminating null byte, \0, or -1 for exception handling.

Definition at line 47 of file ctkin.cpp.

◆ kin_nReactions()

int32_t kin_nReactions ( int32_t handle )

Number of reactions in the reaction mechanism.

Wraps C++ getter: size_t Kinetics::nReactions()

Parameters

handle Handle to queried Kinetics object.

Definition at line 59 of file ctkin.cpp.

◆ kin_reaction()

int32_t kin_reaction	(	int32_t	handle,
		int32_t	i )

Return the Reaction object for reaction i.

Wraps C++ accessor: shared_ptr<Reaction> Kinetics::reaction(size_t)

Uses:

size_t Kinetics::nReactions()

Parameters

handle	Handle to queried Kinetics object.
i	Undocumented.

Returns: Handle to stored Reaction object or -1 for exception handling.

Definition at line 69 of file ctkin.cpp.

◆ kin_nPhases()

int32_t kin_nPhases ( int32_t handle )

The number of phases participating in the reaction mechanism.

Wraps C++ getter: size_t Kinetics::nPhases()

Parameters

handle Handle to queried Kinetics object.

Definition at line 82 of file ctkin.cpp.

◆ kin_phase()

int32_t kin_phase	(	int32_t	handle,
		int32_t	n )

Return pointer to phase associated with Kinetics by index.

Wraps C++ accessor: shared_ptr<ThermoPhase> Kinetics::phase(size_t)

Uses:

size_t Kinetics::nPhases()

Parameters

handle	Handle to queried Kinetics object.
n	Index of the ThermoPhase being sought.

Returns: Handle to stored ThermoPhase object or -1 for exception handling.

Definition at line 92 of file ctkin.cpp.

◆ kin_reactionPhase()

int32_t kin_reactionPhase ( int32_t handle )

Return pointer to phase where the reactions occur.

Wraps C++ accessor: shared_ptr<ThermoPhase> Kinetics::reactionPhase()

Parameters

handle Handle to queried Kinetics object.

Returns: Handle to stored ThermoPhase object or -1 for exception handling.

Definition at line 105 of file ctkin.cpp.

◆ kin_phaseIndex()

int32_t kin_phaseIndex	(	int32_t	handle,
		const char *	ph )

Return the phase index of a phase in the list of phases defined within the object.

Wraps C++ method: custom code

Uses:

phaseIndex(const string&, bool)

Parameters

handle	Handle to queried Kinetics object.
ph	string name of the phase

Definition at line 115 of file ctkin.cpp.

◆ kin_nTotalSpecies()

int32_t kin_nTotalSpecies ( int32_t handle )

The total number of species in all phases participating in the kinetics mechanism.

Wraps C++ getter: size_t Kinetics::nTotalSpecies()

Parameters

handle Handle to queried Kinetics object.

Definition at line 127 of file ctkin.cpp.

◆ kin_reactantStoichCoeff()

double kin_reactantStoichCoeff	(	int32_t	handle,
		int32_t	k,
		int32_t	i )

Stoichiometric coefficient of species k as a reactant in reaction i.

Wraps C++ method: virtual double Kinetics::reactantStoichCoeff(size_t, size_t)

Parameters

handle	Handle to queried Kinetics object.
k	kinetic species index
i	reaction index

Definition at line 137 of file ctkin.cpp.

◆ kin_productStoichCoeff()

double kin_productStoichCoeff	(	int32_t	handle,
		int32_t	k,
		int32_t	i )

Stoichiometric coefficient of species k as a product in reaction i.

Wraps C++ method: virtual double Kinetics::productStoichCoeff(size_t, size_t)

Parameters

handle	Handle to queried Kinetics object.
k	kinetic species index
i	reaction index

Definition at line 147 of file ctkin.cpp.

◆ kin_getFwdRatesOfProgress()

int32_t kin_getFwdRatesOfProgress	(	int32_t	handle,
		int32_t	fwdROPLen,
		double *	fwdROP )

Return the forward rates of progress of the reactions.

Wraps C++ getter: virtual void Kinetics::getFwdRatesOfProgress(span<double>)

Parameters

	handle	Handle to queried Kinetics object.
[in]	fwdROPLen	Length of vector reserved for fwdROP.
	fwdROP	Output vector containing forward rates of progress of the reactions. Length: nReactions().

Definition at line 157 of file ctkin.cpp.

◆ kin_getRevRatesOfProgress()

int32_t kin_getRevRatesOfProgress	(	int32_t	handle,
		int32_t	revROPLen,
		double *	revROP )

Return the Reverse rates of progress of the reactions.

Wraps C++ getter: virtual void Kinetics::getRevRatesOfProgress(span<double>)

Parameters

	handle	Handle to queried Kinetics object.
[in]	revROPLen	Length of vector reserved for revROP.
	revROP	Output vector containing reverse rates of progress of the reactions. Length: nReactions().

Definition at line 171 of file ctkin.cpp.

◆ kin_getNetRatesOfProgress()

int32_t kin_getNetRatesOfProgress	(	int32_t	handle,
		int32_t	netROPLen,
		double *	netROP )

Net rates of progress.

Wraps C++ getter: virtual void Kinetics::getNetRatesOfProgress(span<double>)

Parameters

	handle	Handle to queried Kinetics object.
[in]	netROPLen	Length of vector reserved for netROP.
	netROP	Output vector of the net ROP. Length: nReactions().

Definition at line 185 of file ctkin.cpp.

◆ kin_getEquilibriumConstants()

int32_t kin_getEquilibriumConstants	(	int32_t	handle,
		int32_t	kcLen,
		double *	kc )

Get the vector of equilibrium constants in concentration units.

Wraps C++ getter: virtual void Kinetics::getEquilibriumConstants(span<double>)

Parameters

	handle	Handle to queried Kinetics object.
[in]	kcLen	Length of vector reserved for kc.
[out]	kc	Vector of equilibrium constants in concentration units; length nReactions().

Definition at line 199 of file ctkin.cpp.

◆ kin_getFwdRateConstants()

int32_t kin_getFwdRateConstants	(	int32_t	handle,
		int32_t	kfwdLen,
		double *	kfwd )

Return the forward rate constants.

Wraps C++ getter: virtual void Kinetics::getFwdRateConstants(span<double>)

Parameters

	handle	Handle to queried Kinetics object.
[in]	kfwdLen	Length of vector reserved for kfwd.
	kfwd	Output vector containing the forward reaction rate constants. Length: nReactions().

Definition at line 213 of file ctkin.cpp.

◆ kin_getRevRateConstants()

int32_t kin_getRevRateConstants	(	int32_t	handle,
		int32_t	krevLen,
		double *	krev,
		int32_t	doIrreversible )

Return the reverse rate constants.

Wraps C++ method: virtual void Kinetics::getRevRateConstants(span<double>, bool)

Parameters

	handle	Handle to queried Kinetics object.
[in]	krevLen	Length of vector reserved for krev.
	krev	Output vector of reverse rate constants
	doIrreversible	boolean indicating whether irreversible reactions should be included.

Definition at line 227 of file ctkin.cpp.

◆ kin_getCreationRates()

int32_t kin_getCreationRates	(	int32_t	handle,
		int32_t	cdotLen,
		double *	cdot )

Species creation rates [kmol/m^3/s or kmol/m^2/s].

Wraps C++ getter: virtual void Kinetics::getCreationRates(span<double>)

Parameters

	handle	Handle to queried Kinetics object.
[in]	cdotLen	Length of vector reserved for cdot.
	cdot	Output vector of creation rates. Length: m_kk.

Definition at line 240 of file ctkin.cpp.

◆ kin_getDestructionRates()

int32_t kin_getDestructionRates	(	int32_t	handle,
		int32_t	ddotLen,
		double *	ddot )

Species destruction rates [kmol/m^3/s or kmol/m^2/s].

Wraps C++ getter: virtual void Kinetics::getDestructionRates(span<double>)

Parameters

	handle	Handle to queried Kinetics object.
[in]	ddotLen	Length of vector reserved for ddot.
	ddot	Output vector of destruction rates. Length: m_kk.

Definition at line 254 of file ctkin.cpp.

◆ kin_getNetProductionRates()

int32_t kin_getNetProductionRates	(	int32_t	handle,
		int32_t	wdotLen,
		double *	wdot )

Species net production rates [kmol/m^3/s or kmol/m^2/s].

Wraps C++ getter: virtual void Kinetics::getNetProductionRates(span<double>)

Parameters

	handle	Handle to queried Kinetics object.
[in]	wdotLen	Length of vector reserved for wdot.
	wdot	Output vector of net production rates. Length: m_kk.

Definition at line 268 of file ctkin.cpp.

◆ kin_getFwdRatesOfProgress_ddT()

int32_t kin_getFwdRatesOfProgress_ddT	(	int32_t	handle,
		int32_t	dropLen,
		double *	drop )

Calculate derivatives for forward rates-of-progress with respect to temperature at constant pressure, molar concentration and mole fractions.

Wraps C++ getter: virtual void Kinetics::getFwdRatesOfProgress_ddT(span<double>)

Parameters

	handle	Handle to queried Kinetics object.
[in]	dropLen	Length of vector reserved for drop.
[out]	drop	Output vector of derivatives. Length: nReactions().

Definition at line 282 of file ctkin.cpp.

◆ kin_getFwdRatesOfProgress_ddP()

int32_t kin_getFwdRatesOfProgress_ddP	(	int32_t	handle,
		int32_t	dropLen,
		double *	drop )

Calculate derivatives for forward rates-of-progress with respect to pressure at constant temperature, molar concentration and mole fractions.

Wraps C++ getter: virtual void Kinetics::getFwdRatesOfProgress_ddP(span<double>)

Parameters

	handle	Handle to queried Kinetics object.
[in]	dropLen	Length of vector reserved for drop.
[out]	drop	Output vector of derivatives. Length: nReactions().

Definition at line 296 of file ctkin.cpp.

◆ kin_getFwdRatesOfProgress_ddC()

int32_t kin_getFwdRatesOfProgress_ddC	(	int32_t	handle,
		int32_t	dropLen,
		double *	drop )

Calculate derivatives for forward rates-of-progress with respect to molar concentration at constant temperature, pressure and mole fractions.

Wraps C++ getter: virtual void Kinetics::getFwdRatesOfProgress_ddC(span<double>)

Parameters

	handle	Handle to queried Kinetics object.
[in]	dropLen	Length of vector reserved for drop.
[out]	drop	Output vector of derivatives. Length: nReactions().

Definition at line 310 of file ctkin.cpp.

◆ kin_getRevRatesOfProgress_ddT()

int32_t kin_getRevRatesOfProgress_ddT	(	int32_t	handle,
		int32_t	dropLen,
		double *	drop )

Calculate derivatives for reverse rates-of-progress with respect to temperature at constant pressure, molar concentration and mole fractions.

Wraps C++ getter: virtual void Kinetics::getRevRatesOfProgress_ddT(span<double>)

Parameters

	handle	Handle to queried Kinetics object.
[in]	dropLen	Length of vector reserved for drop.
[out]	drop	Output vector of derivatives. Length: nReactions().

Definition at line 324 of file ctkin.cpp.

◆ kin_getRevRatesOfProgress_ddP()

int32_t kin_getRevRatesOfProgress_ddP	(	int32_t	handle,
		int32_t	dropLen,
		double *	drop )

Calculate derivatives for reverse rates-of-progress with respect to pressure at constant temperature, molar concentration and mole fractions.

Wraps C++ getter: virtual void Kinetics::getRevRatesOfProgress_ddP(span<double>)

Parameters

	handle	Handle to queried Kinetics object.
[in]	dropLen	Length of vector reserved for drop.
[out]	drop	Output vector of derivatives. Length: nReactions().

Definition at line 338 of file ctkin.cpp.

◆ kin_getRevRatesOfProgress_ddC()

int32_t kin_getRevRatesOfProgress_ddC	(	int32_t	handle,
		int32_t	dropLen,
		double *	drop )

Calculate derivatives for reverse rates-of-progress with respect to molar concentration at constant temperature, pressure and mole fractions.

Wraps C++ getter: virtual void Kinetics::getRevRatesOfProgress_ddC(span<double>)

Parameters

	handle	Handle to queried Kinetics object.
[in]	dropLen	Length of vector reserved for drop.
[out]	drop	Output vector of derivatives. Length: nReactions().

Definition at line 352 of file ctkin.cpp.

◆ kin_getNetRatesOfProgress_ddT()

int32_t kin_getNetRatesOfProgress_ddT	(	int32_t	handle,
		int32_t	dropLen,
		double *	drop )

Calculate derivatives for net rates-of-progress with respect to temperature at constant pressure, molar concentration and mole fractions.

Wraps C++ getter: virtual void Kinetics::getNetRatesOfProgress_ddT(span<double>)

Parameters

	handle	Handle to queried Kinetics object.
[in]	dropLen	Length of vector reserved for drop.
[out]	drop	Output vector of derivatives. Length: nReactions().

Definition at line 366 of file ctkin.cpp.

◆ kin_getNetRatesOfProgress_ddP()

int32_t kin_getNetRatesOfProgress_ddP	(	int32_t	handle,
		int32_t	dropLen,
		double *	drop )

Calculate derivatives for net rates-of-progress with respect to pressure at constant temperature, molar concentration and mole fractions.

Wraps C++ getter: virtual void Kinetics::getNetRatesOfProgress_ddP(span<double>)

Parameters

	handle	Handle to queried Kinetics object.
[in]	dropLen	Length of vector reserved for drop.
[out]	drop	Output vector of derivatives. Length: nReactions().

Definition at line 380 of file ctkin.cpp.

◆ kin_getNetRatesOfProgress_ddC()

int32_t kin_getNetRatesOfProgress_ddC	(	int32_t	handle,
		int32_t	dropLen,
		double *	drop )

Calculate derivatives for net rates-of-progress with respect to molar concentration at constant temperature, pressure and mole fractions.

Wraps C++ getter: virtual void Kinetics::getNetRatesOfProgress_ddC(span<double>)

Parameters

	handle	Handle to queried Kinetics object.
[in]	dropLen	Length of vector reserved for drop.
[out]	drop	Output vector of derivatives. Length: nReactions().

Definition at line 394 of file ctkin.cpp.

◆ kin_getCreationRates_ddT()

int32_t kin_getCreationRates_ddT	(	int32_t	handle,
		int32_t	dwdotLen,
		double *	dwdot )

Calculate derivatives for species creation rates with respect to temperature at constant pressure, molar concentration and mole fractions.

Wraps C++ getter: void Kinetics::getCreationRates_ddT(span<double>)

Parameters

	handle	Handle to queried Kinetics object.
[in]	dwdotLen	Length of vector reserved for dwdot.
[out]	dwdot	Output vector of derivatives. Length: m_kk.

Definition at line 408 of file ctkin.cpp.

◆ kin_getCreationRates_ddP()

int32_t kin_getCreationRates_ddP	(	int32_t	handle,
		int32_t	dwdotLen,
		double *	dwdot )

Calculate derivatives for species creation rates with respect to pressure at constant temperature, molar concentration and mole fractions.

Wraps C++ getter: void Kinetics::getCreationRates_ddP(span<double>)

Parameters

	handle	Handle to queried Kinetics object.
[in]	dwdotLen	Length of vector reserved for dwdot.
[out]	dwdot	Output vector of derivatives. Length: m_kk.

Definition at line 422 of file ctkin.cpp.

◆ kin_getCreationRates_ddC()

int32_t kin_getCreationRates_ddC	(	int32_t	handle,
		int32_t	dwdotLen,
		double *	dwdot )

Calculate derivatives for species creation rates with respect to molar concentration at constant temperature, pressure and mole fractions.

Wraps C++ getter: void Kinetics::getCreationRates_ddC(span<double>)

Parameters

	handle	Handle to queried Kinetics object.
[in]	dwdotLen	Length of vector reserved for dwdot.
[out]	dwdot	Output vector of derivatives. Length: m_kk.

Definition at line 436 of file ctkin.cpp.

◆ kin_getDestructionRates_ddT()

int32_t kin_getDestructionRates_ddT	(	int32_t	handle,
		int32_t	dwdotLen,
		double *	dwdot )

Calculate derivatives for species destruction rates with respect to temperature at constant pressure, molar concentration and mole fractions.

Wraps C++ getter: void Kinetics::getDestructionRates_ddT(span<double>)

Parameters

	handle	Handle to queried Kinetics object.
[in]	dwdotLen	Length of vector reserved for dwdot.
[out]	dwdot	Output vector of derivatives. Length: m_kk.

Definition at line 450 of file ctkin.cpp.

◆ kin_getDestructionRates_ddP()

int32_t kin_getDestructionRates_ddP	(	int32_t	handle,
		int32_t	dwdotLen,
		double *	dwdot )

Calculate derivatives for species destruction rates with respect to pressure at constant temperature, molar concentration and mole fractions.

Wraps C++ getter: void Kinetics::getDestructionRates_ddP(span<double>)

Parameters

	handle	Handle to queried Kinetics object.
[in]	dwdotLen	Length of vector reserved for dwdot.
[out]	dwdot	Output vector of derivatives. Length: m_kk.

Definition at line 464 of file ctkin.cpp.

◆ kin_getDestructionRates_ddC()

int32_t kin_getDestructionRates_ddC	(	int32_t	handle,
		int32_t	dwdotLen,
		double *	dwdot )

Calculate derivatives for species destruction rates with respect to molar concentration at constant temperature, pressure and mole fractions.

Wraps C++ getter: void Kinetics::getDestructionRates_ddC(span<double>)

Parameters

	handle	Handle to queried Kinetics object.
[in]	dwdotLen	Length of vector reserved for dwdot.
[out]	dwdot	Output vector of derivatives. Length: m_kk.

Definition at line 478 of file ctkin.cpp.

◆ kin_getNetProductionRates_ddT()

int32_t kin_getNetProductionRates_ddT	(	int32_t	handle,
		int32_t	dwdotLen,
		double *	dwdot )

Calculate derivatives for species net production rates with respect to temperature at constant pressure, molar concentration and mole fractions.

Wraps C++ getter: void Kinetics::getNetProductionRates_ddT(span<double>)

Parameters

	handle	Handle to queried Kinetics object.
[in]	dwdotLen	Length of vector reserved for dwdot.
[out]	dwdot	Output vector of derivatives. Length: m_kk.

Definition at line 492 of file ctkin.cpp.

◆ kin_getNetProductionRates_ddP()

int32_t kin_getNetProductionRates_ddP	(	int32_t	handle,
		int32_t	dwdotLen,
		double *	dwdot )

Calculate derivatives for species net production rates with respect to pressure at constant temperature, molar concentration and mole fractions.

Wraps C++ getter: void Kinetics::getNetProductionRates_ddP(span<double>)

Parameters

	handle	Handle to queried Kinetics object.
[in]	dwdotLen	Length of vector reserved for dwdot.
[out]	dwdot	Output vector of derivatives. Length: m_kk.

Definition at line 506 of file ctkin.cpp.

◆ kin_getNetProductionRates_ddC()

int32_t kin_getNetProductionRates_ddC	(	int32_t	handle,
		int32_t	dwdotLen,
		double *	dwdot )

Calculate derivatives for species net production rates with respect to molar concentration at constant temperature, pressure and mole fractions.

Wraps C++ getter: void Kinetics::getNetProductionRates_ddC(span<double>)

Parameters

	handle	Handle to queried Kinetics object.
[in]	dwdotLen	Length of vector reserved for dwdot.
[out]	dwdot	Output vector of derivatives. Length: m_kk.

Definition at line 520 of file ctkin.cpp.

◆ kin_getNetProductionRates_ddX()

int32_t kin_getNetProductionRates_ddX	(	int32_t	handle,
		int32_t	bufLen,
		double *	buf )

Dense composition Jacobian d(net production rate)/dX, column-major (n x n).

Wraps C++ method: custom code

Parameters

handle	Handle to queried Kinetics object.
bufLen	Length of the reserved array; must be at least nTotalSpecies squared.
buf	Output buffer, filled column-major with the dense Jacobian.

Definition at line 534 of file ctkin.cpp.

◆ kin_getNetRatesOfProgress_ddX()

int32_t kin_getNetRatesOfProgress_ddX	(	int32_t	handle,
		int32_t	bufLen,
		double *	buf )

Dense reaction composition Jacobian d(net rate of progress)/dX, column-major.

Wraps C++ method: custom code

Parameters

handle	Handle to queried Kinetics object.
bufLen	Length of the reserved array; must be at least nReactions times nTotalSpecies.
buf	Output buffer, filled column-major with the dense Jacobian.

Definition at line 562 of file ctkin.cpp.

◆ kin_multiplier()

double kin_multiplier	(	int32_t	handle,
		int32_t	i )

The current value of the multiplier for reaction i.

Wraps C++ method: double Kinetics::multiplier(size_t)

Parameters

handle	Handle to queried Kinetics object.
i	index of the reaction

Definition at line 590 of file ctkin.cpp.

◆ kin_setMultiplier()

int32_t kin_setMultiplier	(	int32_t	handle,
		int32_t	i,
		double	f )

Set the multiplier for reaction i to f.

Wraps C++ method: virtual void Kinetics::setMultiplier(size_t, double)

Parameters

handle	Handle to queried Kinetics object.
i	index of the reaction
f	value of the multiplier.

Definition at line 600 of file ctkin.cpp.

◆ kin_isReversible()

int32_t kin_isReversible	(	int32_t	handle,
		int32_t	i )

True if reaction i has been declared to be reversible.

Wraps C++ method: bool Kinetics::isReversible(size_t)

Parameters

handle	Handle to queried Kinetics object.
i	reaction index

Definition at line 611 of file ctkin.cpp.

◆ kin_kineticsSpeciesIndex()

int32_t kin_kineticsSpeciesIndex	(	int32_t	handle,
		const char *	nm )

Return the index of a species within the phases participating in this kinetic mechanism.

Wraps C++ method: custom code

Uses:

kineticsSpeciesIndex(const string&, bool)

Parameters

handle	Handle to queried Kinetics object.
nm	name of the species

Definition at line 622 of file ctkin.cpp.

◆ kin_advanceCoverages()

int32_t kin_advanceCoverages	(	int32_t	handle,
		double	tstep )

Advance the surface coverages in time.

Wraps C++ setter: void InterfaceKinetics::advanceCoverages(double)

Parameters

handle	Handle to queried InterfaceKinetics object.
tstep	Time value to advance the surface coverages

Definition at line 634 of file ctkin.cpp.

◆ kin_getDeltaEnthalpy()

int32_t kin_getDeltaEnthalpy	(	int32_t	handle,
		int32_t	deltaHLen,
		double *	deltaH )

Return the vector of values for the reactions change in enthalpy.

Wraps C++ getter: virtual void Kinetics::getDeltaEnthalpy(span<double>)

Parameters

	handle	Handle to queried Kinetics object.
[in]	deltaHLen	Length of vector reserved for deltaH.
	deltaH	Output vector of deltaH's for reactions Length: nReactions().

Definition at line 645 of file ctkin.cpp.

◆ kin_getDeltaGibbs()

int32_t kin_getDeltaGibbs	(	int32_t	handle,
		int32_t	deltaGLen,
		double *	deltaG )

Return the vector of values for the reaction Gibbs free energy change.

Wraps C++ getter: virtual void Kinetics::getDeltaGibbs(span<double>)

Parameters

	handle	Handle to queried Kinetics object.
[in]	deltaGLen	Length of vector reserved for deltaG.
	deltaG	Output vector of deltaG's for reactions Length: nReactions().

Definition at line 659 of file ctkin.cpp.

◆ kin_getDeltaEntropy()

int32_t kin_getDeltaEntropy	(	int32_t	handle,
		int32_t	deltaSLen,
		double *	deltaS )

Return the vector of values for the reactions change in entropy.

Wraps C++ getter: virtual void Kinetics::getDeltaEntropy(span<double>)

Parameters

	handle	Handle to queried Kinetics object.
[in]	deltaSLen	Length of vector reserved for deltaS.
	deltaS	Output vector of deltaS's for reactions Length: nReactions().

Definition at line 673 of file ctkin.cpp.

◆ kin_getDeltaSSEnthalpy()

int32_t kin_getDeltaSSEnthalpy	(	int32_t	handle,
		int32_t	deltaHLen,
		double *	deltaH )

Return the vector of values for the change in the standard state enthalpies of reaction.

Wraps C++ getter: virtual void Kinetics::getDeltaSSEnthalpy(span<double>)

Parameters

	handle	Handle to queried Kinetics object.
[in]	deltaHLen	Length of vector reserved for deltaH.
	deltaH	Output vector of ss deltaH's for reactions Length: nReactions().

Definition at line 687 of file ctkin.cpp.

◆ kin_getDeltaSSGibbs()

int32_t kin_getDeltaSSGibbs	(	int32_t	handle,
		int32_t	deltaGLen,
		double *	deltaG )

Return the vector of values for the reaction standard state Gibbs free energy change.

Wraps C++ getter: virtual void Kinetics::getDeltaSSGibbs(span<double>)

Parameters

	handle	Handle to queried Kinetics object.
[in]	deltaGLen	Length of vector reserved for deltaG.
	deltaG	Output vector of ss deltaG's for reactions Length: nReactions().

Definition at line 701 of file ctkin.cpp.

◆ kin_getDeltaSSEntropy()

int32_t kin_getDeltaSSEntropy	(	int32_t	handle,
		int32_t	deltaSLen,
		double *	deltaS )

Return the vector of values for the change in the standard state entropies for each reaction.

Wraps C++ getter: virtual void Kinetics::getDeltaSSEntropy(span<double>)

Parameters

	handle	Handle to queried Kinetics object.
[in]	deltaSLen	Length of vector reserved for deltaS.
	deltaS	Output vector of ss deltaS's for reactions Length: nReactions().

Definition at line 715 of file ctkin.cpp.

◆ kin_del()

int32_t kin_del ( int32_t handle )

Delete Kinetics object.

Wraps C++ destructor: undefined

Parameters

handle Handle to Kinetics object.

Returns: Zero for success and -1 for exception handling.

Definition at line 729 of file ctkin.cpp.

◆ kin_cabinetSize()

int32_t kin_cabinetSize ( )

Return size of Kinetics storage.

Wraps C++ reserved CLib function: custom code

Returns: Size or -1 for exception handling.

Definition at line 740 of file ctkin.cpp.

Detailed Description

Functions

Function Documentation

◆ kin_kineticsType()

◆ kin_nReactions()

◆ kin_reaction()

◆ kin_nPhases()

◆ kin_phase()

◆ kin_reactionPhase()

◆ kin_phaseIndex()

◆ kin_nTotalSpecies()

◆ kin_reactantStoichCoeff()

◆ kin_productStoichCoeff()

◆ kin_getFwdRatesOfProgress()

◆ kin_getRevRatesOfProgress()

◆ kin_getNetRatesOfProgress()

◆ kin_getEquilibriumConstants()

◆ kin_getFwdRateConstants()

◆ kin_getRevRateConstants()

◆ kin_getCreationRates()

◆ kin_getDestructionRates()

◆ kin_getNetProductionRates()

◆ kin_getFwdRatesOfProgress_ddT()

◆ kin_getFwdRatesOfProgress_ddP()

◆ kin_getFwdRatesOfProgress_ddC()

◆ kin_getRevRatesOfProgress_ddT()

◆ kin_getRevRatesOfProgress_ddP()

◆ kin_getRevRatesOfProgress_ddC()

◆ kin_getNetRatesOfProgress_ddT()

◆ kin_getNetRatesOfProgress_ddP()

◆ kin_getNetRatesOfProgress_ddC()

◆ kin_getCreationRates_ddT()

◆ kin_getCreationRates_ddP()

◆ kin_getCreationRates_ddC()

◆ kin_getDestructionRates_ddT()

◆ kin_getDestructionRates_ddP()

◆ kin_getDestructionRates_ddC()

◆ kin_getNetProductionRates_ddT()

◆ kin_getNetProductionRates_ddP()

◆ kin_getNetProductionRates_ddC()

◆ kin_getNetProductionRates_ddX()

◆ kin_getNetRatesOfProgress_ddX()

◆ kin_multiplier()

◆ kin_setMultiplier()

◆ kin_isReversible()

◆ kin_kineticsSpeciesIndex()

◆ kin_advanceCoverages()

◆ kin_getDeltaEnthalpy()

◆ kin_getDeltaGibbs()

◆ kin_getDeltaEntropy()

◆ kin_getDeltaSSEnthalpy()

◆ kin_getDeltaSSGibbs()

◆ kin_getDeltaSSEntropy()

◆ kin_del()

◆ kin_cabinetSize()