#include <teqpcpp.hpp>

Inheritance diagram for teqp::cppinterface::AbstractModel:

Public Member Functions
virtual	~AbstractModel ()=default

virtual const std::type_index &	get_type_index () const =0

virtual double	get_R (const EArrayd &) const =0

double	R (const EArrayd &x) const

virtual double	get_Arxy (const int, const int, const double, const double, const EArrayd &) const =0

virtual double	get_Ar00 (const double T, const double rho, const REArrayd &molefrac) const =0

virtual double	get_Ar01 (const double T, const double rho, const REArrayd &molefrac) const =0

virtual double	get_Ar02 (const double T, const double rho, const REArrayd &molefrac) const =0

virtual double	get_Ar03 (const double T, const double rho, const REArrayd &molefrac) const =0

virtual double	get_Ar04 (const double T, const double rho, const REArrayd &molefrac) const =0

virtual double	get_Ar10 (const double T, const double rho, const REArrayd &molefrac) const =0

virtual double	get_Ar11 (const double T, const double rho, const REArrayd &molefrac) const =0

virtual double	get_Ar12 (const double T, const double rho, const REArrayd &molefrac) const =0

virtual double	get_Ar13 (const double T, const double rho, const REArrayd &molefrac) const =0

virtual double	get_Ar14 (const double T, const double rho, const REArrayd &molefrac) const =0

virtual double	get_Ar20 (const double T, const double rho, const REArrayd &molefrac) const =0

virtual double	get_Ar21 (const double T, const double rho, const REArrayd &molefrac) const =0

virtual double	get_Ar22 (const double T, const double rho, const REArrayd &molefrac) const =0

virtual double	get_Ar23 (const double T, const double rho, const REArrayd &molefrac) const =0

virtual double	get_Ar24 (const double T, const double rho, const REArrayd &molefrac) const =0

virtual EArrayd	get_Ar01n (const double T, const double rho, const REArrayd &molefrac) const =0

virtual EArrayd	get_Ar02n (const double T, const double rho, const REArrayd &molefrac) const =0

virtual EArrayd	get_Ar03n (const double T, const double rho, const REArrayd &molefrac) const =0

virtual EArrayd	get_Ar04n (const double T, const double rho, const REArrayd &molefrac) const =0

virtual EArrayd	get_Ar05n (const double T, const double rho, const REArrayd &molefrac) const =0

virtual EArrayd	get_Ar06n (const double T, const double rho, const REArrayd &molefrac) const =0

virtual EArrayd	get_Ar10n (const double T, const double rho, const REArrayd &molefrac) const =0

virtual EArrayd	get_Ar20n (const double T, const double rho, const REArrayd &molefrac) const =0

virtual EArrayd	get_Ar30n (const double T, const double rho, const REArrayd &molefrac) const =0

virtual EArrayd	get_Ar40n (const double T, const double rho, const REArrayd &molefrac) const =0

virtual double	get_Ar01ep (const double, const double, const EArrayd &) const =0

virtual double	get_Ar02ep (const double, const double, const EArrayd &) const =0

virtual double	get_Ar03ep (const double, const double, const EArrayd &) const =0

virtual double	get_B2vir (const double T, const EArrayd &z) const =0

virtual std::map< int, double >	get_Bnvir (const int Nderiv, const double T, const EArrayd &z) const =0

virtual double	get_B12vir (const double T, const EArrayd &z) const =0

virtual double	get_dmBnvirdTm (const int Nderiv, const int NTderiv, const double T, const EArrayd &z) const =0

virtual double	get_ATrhoXi (const double T, const int NT, const double rhomolar, int ND, const EArrayd &molefrac, const int i, const int NXi) const =0

virtual double	get_ATrhoXiXj (const double T, const int NT, const double rhomolar, int ND, const EArrayd &molefrac, const int i, const int NXi, const int j, const int NXj) const =0

virtual double	get_ATrhoXiXjXk (const double T, const int NT, const double rhomolar, int ND, const EArrayd &molefrac, const int i, const int NXi, const int j, const int NXj, const int k, const int NXk) const =0

virtual double	get_AtaudeltaXi (const double tau, const int Ntau, const double delta, int Ndelta, const EArrayd &molefrac, const int i, const int NXi) const =0

virtual double	get_AtaudeltaXiXj (const double tau, const int Ntau, const double delta, int Ndelta, const EArrayd &molefrac, const int i, const int NXi, const int j, const int NXj) const =0

virtual double	get_AtaudeltaXiXjXk (const double tau, const int Ntau, const double delta, int Ndelta, const EArrayd &molefrac, const int i, const int NXi, const int j, const int NXj, const int k, const int NXk) const =0

virtual double	get_pr (const double T, const EArrayd &rhovec) const =0

virtual double	get_splus (const double T, const EArrayd &rhovec) const =0

virtual double	get_dpdT_constrhovec (const double T, const EArrayd &rhovec) const =0

virtual EArrayd	build_Psir_gradient_autodiff (const double T, const EArrayd &rhovec) const =0

virtual EArrayd	get_chempotVLE_autodiff (const double T, const EArrayd &rhovec) const =0

virtual EArrayd	get_dchempotdT_autodiff (const double T, const EArrayd &rhovec) const =0

virtual EArrayd	get_fugacity_coefficients (const double T, const EArrayd &rhovec) const =0

virtual EArrayd	get_partial_molar_volumes (const double T, const EArrayd &rhovec) const =0

virtual EArrayd	build_d2PsirdTdrhoi_autodiff (const double T, const EArrayd &rhovec) const =0

virtual EArrayd	get_dpdrhovec_constT (const double T, const EArrayd &rhovec) const =0

virtual EMatrixd	build_Psir_Hessian_autodiff (const double T, const EArrayd &rhovec) const =0

virtual EMatrixd	build_Psi_Hessian_autodiff (const double T, const EArrayd &rhovec) const =0

virtual std::tuple< double, Eigen::ArrayXd, Eigen::MatrixXd >	build_Psir_fgradHessian_autodiff (const double T, const EArrayd &rhovec) const =0

virtual Eigen::ArrayXd	get_Psir_sigma_derivs (const double T, const EArrayd &rhovec, const EArrayd &v) const =0

double	get_neff (const double, const double, const EArrayd &) const

virtual EArray33d	get_deriv_mat2 (const double T, double rho, const EArrayd &z) const =0

std::tuple< double, double >	solve_pure_critical (const double T, const double rho, const std::optional< nlohmann::json > &=std::nullopt) const

EArray2	extrapolate_from_critical (const double Tc, const double rhoc, const double Tgiven, const std::optional< Eigen::ArrayXd > &molefracs=std::nullopt) const

std::tuple< EArrayd, EMatrixd >	get_pure_critical_conditions_Jacobian (const double T, const double rho, const std::optional< std::size_t > &alternative_pure_index, const std::optional< std::size_t > &alternative_length) const

EArray2	pure_VLE_T (const double T, const double rhoL, const double rhoV, int maxiter, const std::optional< Eigen::ArrayXd > &molefracs=std::nullopt) const

double	dpsatdT_pure (const double T, const double rhoL, const double rhoV) const

virtual std::tuple< EArrayd, EArrayd >	get_drhovecdp_Tsat (const double T, const REArrayd &rhovecL, const REArrayd &rhovecV) const

virtual std::tuple< EArrayd, EArrayd >	get_drhovecdT_psat (const double T, const REArrayd &rhovecL, const REArrayd &rhovecV) const

virtual double	get_dpsat_dTsat_isopleth (const double T, const REArrayd &rhovecL, const REArrayd &rhovecV) const

virtual nlohmann::json	trace_VLE_isotherm_binary (const double T0, const EArrayd &rhovec0, const EArrayd &rhovecV0, const std::optional< TVLEOptions > &=std::nullopt) const

virtual nlohmann::json	trace_VLE_isobar_binary (const double p, const double T0, const EArrayd &rhovecL0, const EArrayd &rhovecV0, const std::optional< PVLEOptions > &=std::nullopt) const

virtual std::tuple< VLE_return_code, EArrayd, EArrayd >	mix_VLE_Tx (const double T, const REArrayd &rhovecL0, const REArrayd &rhovecV0, const REArrayd &xspec, const double atol, const double reltol, const double axtol, const double relxtol, const int maxiter) const

virtual MixVLEReturn	mix_VLE_Tp (const double T, const double pgiven, const REArrayd &rhovecL0, const REArrayd &rhovecV0, const std::optional< MixVLETpFlags > &flags=std::nullopt) const

virtual std::tuple< VLE_return_code, double, EArrayd, EArrayd >	mixture_VLE_px (const double p_spec, const REArrayd &xmolar_spec, const double T0, const REArrayd &rhovecL0, const REArrayd &rhovecV0, const std::optional< MixVLEpxFlags > &flags=std::nullopt) const

std::tuple< VLLE::VLLE_return_code, EArrayd, EArrayd, EArrayd >	mix_VLLE_T (const double T, const REArrayd &rhovecVinit, const REArrayd &rhovecL1init, const REArrayd &rhovecL2init, const double atol, const double reltol, const double axtol, const double relxtol, const int maxiter) const

std::vector< nlohmann::json >	find_VLLE_T_binary (const std::vector< nlohmann::json > &traces, const std::optional< VLLE::VLLEFinderOptions > options=std::nullopt) const

std::vector< nlohmann::json >	find_VLLE_p_binary (const std::vector< nlohmann::json > &traces, const std::optional< VLLE::VLLEFinderOptions > options=std::nullopt) const

nlohmann::json	trace_VLLE_binary (const double T, const REArrayd &rhovecV, const REArrayd &rhovecL1, const REArrayd &rhovecL2, const std::optional< VLLE::VLLETracerOptions > options) const

virtual nlohmann::json	trace_critical_arclength_binary (const double T0, const EArrayd &rhovec0, const std::optional< std::string > &=std::nullopt, const std::optional< TCABOptions > &=std::nullopt) const

virtual EArrayd	get_drhovec_dT_crit (const double T, const REArrayd &rhovec) const

virtual double	get_dp_dT_crit (const double T, const REArrayd &rhovec) const

virtual EArray2	get_criticality_conditions (const double T, const REArrayd &rhovec) const

virtual EigenData	eigen_problem (const double T, const REArrayd &rhovec, const std::optional< REArrayd > &=std::nullopt) const

virtual double	get_minimum_eigenvalue_Psi_Hessian (const double T, const REArrayd &rhovec) const

Detailed Description

This class defines the public interface for a model. Only native C++ types are passed through this inferface (as well as Eigen types and JSON data structures). Thus all the advanced derivative things can be hidden behind the C++ wall, yielding an interface that is still powerful, and very fast, but compilation times can be reduced to something more reasonable. Also, interfacing with other programming languages becomes much more convenient with this layer. All the complicated routines are still available in the lower-level C++ code.

Not allowed are: Templated arguments to functions Other numerical types (complex, multicomplex, autodiff, etc.)

X-Macros can be used to wrap functions that take template arguments and expand them as multiple functions

Definition at line 94 of file teqpcpp.hpp.

Constructor & Destructor Documentation

◆ ~AbstractModel()

virtual teqp::cppinterface::AbstractModel::~AbstractModel ( )

virtualdefault

Member Function Documentation

◆ build_d2PsirdTdrhoi_autodiff()

virtual EArrayd teqp::cppinterface::AbstractModel::build_d2PsirdTdrhoi_autodiff	(	const double	T,
		const EArrayd &	rhovec ) const

pure virtual

◆ build_Psi_Hessian_autodiff()

virtual EMatrixd teqp::cppinterface::AbstractModel::build_Psi_Hessian_autodiff	(	const double	T,
		const EArrayd &	rhovec ) const

pure virtual

◆ build_Psir_fgradHessian_autodiff()

virtual std::tuple< double, Eigen::ArrayXd, Eigen::MatrixXd > teqp::cppinterface::AbstractModel::build_Psir_fgradHessian_autodiff	(	const double	T,
		const EArrayd &	rhovec ) const

pure virtual

◆ build_Psir_gradient_autodiff()

virtual EArrayd teqp::cppinterface::AbstractModel::build_Psir_gradient_autodiff	(	const double	T,
		const EArrayd &	rhovec ) const

pure virtual

◆ build_Psir_Hessian_autodiff()

virtual EMatrixd teqp::cppinterface::AbstractModel::build_Psir_Hessian_autodiff	(	const double	T,
		const EArrayd &	rhovec ) const

pure virtual

◆ dpsatdT_pure()

double teqp::cppinterface::AbstractModel::dpsatdT_pure	(	const double	T,
		const double	rhoL,
		const double	rhoV ) const

Definition at line 28 of file AbstractModel_implementation.cpp.

◆ eigen_problem()

EigenData teqp::cppinterface::AbstractModel::eigen_problem	(	const double	T,
		const REArrayd &	rhovec,
		const std::optional< REArrayd > &	alignment_v0 = std::nullopt ) const

virtual

Definition at line 91 of file AbstractModel_implementation.cpp.

◆ extrapolate_from_critical()

EArray2 teqp::cppinterface::AbstractModel::extrapolate_from_critical	(	const double	Tc,
		const double	rhoc,
		const double	Tgiven,
		const std::optional< Eigen::ArrayXd > &	molefracs = std::nullopt ) const

Definition at line 20 of file AbstractModel_implementation.cpp.

◆ find_VLLE_p_binary()

std::vector< nlohmann::json > teqp::cppinterface::AbstractModel::find_VLLE_p_binary	(	const std::vector< nlohmann::json > &	traces,
		const std::optional< VLLE::VLLEFinderOptions >	options = std::nullopt ) const

Definition at line 40 of file AbstractModel_implementation.cpp.

◆ find_VLLE_T_binary()

std::vector< nlohmann::json > teqp::cppinterface::AbstractModel::find_VLLE_T_binary	(	const std::vector< nlohmann::json > &	traces,
		const std::optional< VLLE::VLLEFinderOptions >	options = std::nullopt ) const

Definition at line 37 of file AbstractModel_implementation.cpp.

◆ get_Ar00()

virtual double teqp::cppinterface::AbstractModel::get_Ar00	(	const double	T,
		const double	rho,
		const REArrayd &	molefrac ) const

pure virtual

◆ get_Ar01()

virtual double teqp::cppinterface::AbstractModel::get_Ar01	(	const double	T,
		const double	rho,
		const REArrayd &	molefrac ) const

pure virtual

◆ get_Ar01ep()

virtual double teqp::cppinterface::AbstractModel::get_Ar01ep	(	const double	,
		const double	,
		const EArrayd &	) const

pure virtual

Implemented in teqp::cppinterface::adapter::DerivativeAdapter< ModelPack >.

◆ get_Ar01n()

virtual EArrayd teqp::cppinterface::AbstractModel::get_Ar01n	(	const double	T,
		const double	rho,
		const REArrayd &	molefrac ) const

pure virtual

◆ get_Ar02()

virtual double teqp::cppinterface::AbstractModel::get_Ar02	(	const double	T,
		const double	rho,
		const REArrayd &	molefrac ) const

pure virtual

◆ get_Ar02ep()

virtual double teqp::cppinterface::AbstractModel::get_Ar02ep	(	const double	,
		const double	,
		const EArrayd &	) const

pure virtual

Implemented in teqp::cppinterface::adapter::DerivativeAdapter< ModelPack >.

◆ get_Ar02n()

virtual EArrayd teqp::cppinterface::AbstractModel::get_Ar02n	(	const double	T,
		const double	rho,
		const REArrayd &	molefrac ) const

pure virtual

◆ get_Ar03()

virtual double teqp::cppinterface::AbstractModel::get_Ar03	(	const double	T,
		const double	rho,
		const REArrayd &	molefrac ) const

pure virtual

◆ get_Ar03ep()

virtual double teqp::cppinterface::AbstractModel::get_Ar03ep	(	const double	,
		const double	,
		const EArrayd &	) const

pure virtual

Implemented in teqp::cppinterface::adapter::DerivativeAdapter< ModelPack >.

◆ get_Ar03n()

virtual EArrayd teqp::cppinterface::AbstractModel::get_Ar03n	(	const double	T,
		const double	rho,
		const REArrayd &	molefrac ) const

pure virtual

◆ get_Ar04()

virtual double teqp::cppinterface::AbstractModel::get_Ar04	(	const double	T,
		const double	rho,
		const REArrayd &	molefrac ) const

pure virtual

◆ get_Ar04n()

virtual EArrayd teqp::cppinterface::AbstractModel::get_Ar04n	(	const double	T,
		const double	rho,
		const REArrayd &	molefrac ) const

pure virtual

◆ get_Ar05n()

virtual EArrayd teqp::cppinterface::AbstractModel::get_Ar05n	(	const double	T,
		const double	rho,
		const REArrayd &	molefrac ) const

pure virtual

◆ get_Ar06n()

virtual EArrayd teqp::cppinterface::AbstractModel::get_Ar06n	(	const double	T,
		const double	rho,
		const REArrayd &	molefrac ) const

pure virtual

◆ get_Ar10()

virtual double teqp::cppinterface::AbstractModel::get_Ar10	(	const double	T,
		const double	rho,
		const REArrayd &	molefrac ) const

pure virtual

◆ get_Ar10n()

virtual EArrayd teqp::cppinterface::AbstractModel::get_Ar10n	(	const double	T,
		const double	rho,
		const REArrayd &	molefrac ) const

pure virtual

◆ get_Ar11()

virtual double teqp::cppinterface::AbstractModel::get_Ar11	(	const double	T,
		const double	rho,
		const REArrayd &	molefrac ) const

pure virtual

◆ get_Ar12()

virtual double teqp::cppinterface::AbstractModel::get_Ar12	(	const double	T,
		const double	rho,
		const REArrayd &	molefrac ) const

pure virtual

◆ get_Ar13()

virtual double teqp::cppinterface::AbstractModel::get_Ar13	(	const double	T,
		const double	rho,
		const REArrayd &	molefrac ) const

pure virtual

◆ get_Ar14()

virtual double teqp::cppinterface::AbstractModel::get_Ar14	(	const double	T,
		const double	rho,
		const REArrayd &	molefrac ) const

pure virtual

◆ get_Ar20()

virtual double teqp::cppinterface::AbstractModel::get_Ar20	(	const double	T,
		const double	rho,
		const REArrayd &	molefrac ) const

pure virtual

◆ get_Ar20n()

virtual EArrayd teqp::cppinterface::AbstractModel::get_Ar20n	(	const double	T,
		const double	rho,
		const REArrayd &	molefrac ) const

pure virtual

◆ get_Ar21()

virtual double teqp::cppinterface::AbstractModel::get_Ar21	(	const double	T,
		const double	rho,
		const REArrayd &	molefrac ) const

pure virtual

◆ get_Ar22()

virtual double teqp::cppinterface::AbstractModel::get_Ar22	(	const double	T,
		const double	rho,
		const REArrayd &	molefrac ) const

pure virtual

◆ get_Ar23()

virtual double teqp::cppinterface::AbstractModel::get_Ar23	(	const double	T,
		const double	rho,
		const REArrayd &	molefrac ) const

pure virtual

◆ get_Ar24()

virtual double teqp::cppinterface::AbstractModel::get_Ar24	(	const double	T,
		const double	rho,
		const REArrayd &	molefrac ) const

pure virtual

◆ get_Ar30n()

virtual EArrayd teqp::cppinterface::AbstractModel::get_Ar30n	(	const double	T,
		const double	rho,
		const REArrayd &	molefrac ) const

pure virtual

◆ get_Ar40n()

virtual EArrayd teqp::cppinterface::AbstractModel::get_Ar40n	(	const double	T,
		const double	rho,
		const REArrayd &	molefrac ) const

pure virtual

◆ get_Arxy()

virtual double teqp::cppinterface::AbstractModel::get_Arxy	(	const int	,
		const int	,
		const double	,
		const double	,
		const EArrayd &	) const

pure virtual

Implemented in teqp::cppinterface::adapter::DerivativeAdapter< ModelPack >.

◆ get_AtaudeltaXi()

virtual double teqp::cppinterface::AbstractModel::get_AtaudeltaXi	(	const double	tau,
		const int	Ntau,
		const double	delta,
		int	Ndelta,
		const EArrayd &	molefrac,
		const int	i,
		const int	NXi ) const

pure virtual

Implemented in teqp::cppinterface::adapter::DerivativeAdapter< ModelPack >.

◆ get_AtaudeltaXiXj()

virtual double teqp::cppinterface::AbstractModel::get_AtaudeltaXiXj	(	const double	tau,
		const int	Ntau,
		const double	delta,
		int	Ndelta,
		const EArrayd &	molefrac,
		const int	i,
		const int	NXi,
		const int	j,
		const int	NXj ) const

pure virtual

Implemented in teqp::cppinterface::adapter::DerivativeAdapter< ModelPack >.

◆ get_AtaudeltaXiXjXk()

virtual double teqp::cppinterface::AbstractModel::get_AtaudeltaXiXjXk	(	const double	tau,
		const int	Ntau,
		const double	delta,
		int	Ndelta,
		const EArrayd &	molefrac,
		const int	i,
		const int	NXi,
		const int	j,
		const int	NXj,
		const int	k,
		const int	NXk ) const

pure virtual

Implemented in teqp::cppinterface::adapter::DerivativeAdapter< ModelPack >.

◆ get_ATrhoXi()

virtual double teqp::cppinterface::AbstractModel::get_ATrhoXi	(	const double	T,
		const int	NT,
		const double	rhomolar,
		int	ND,
		const EArrayd &	molefrac,
		const int	i,
		const int	NXi ) const

pure virtual

Implemented in teqp::cppinterface::adapter::DerivativeAdapter< ModelPack >.

◆ get_ATrhoXiXj()

virtual double teqp::cppinterface::AbstractModel::get_ATrhoXiXj	(	const double	T,
		const int	NT,
		const double	rhomolar,
		int	ND,
		const EArrayd &	molefrac,
		const int	i,
		const int	NXi,
		const int	j,
		const int	NXj ) const

pure virtual

Implemented in teqp::cppinterface::adapter::DerivativeAdapter< ModelPack >.

◆ get_ATrhoXiXjXk()

virtual double teqp::cppinterface::AbstractModel::get_ATrhoXiXjXk	(	const double	T,
		const int	NT,
		const double	rhomolar,
		int	ND,
		const EArrayd &	molefrac,
		const int	i,
		const int	NXi,
		const int	j,
		const int	NXj,
		const int	k,
		const int	NXk ) const

pure virtual

Implemented in teqp::cppinterface::adapter::DerivativeAdapter< ModelPack >.

◆ get_B12vir()

virtual double teqp::cppinterface::AbstractModel::get_B12vir	(	const double	T,
		const EArrayd &	z ) const

pure virtual

Implemented in teqp::cppinterface::adapter::DerivativeAdapter< ModelPack >.

◆ get_B2vir()

virtual double teqp::cppinterface::AbstractModel::get_B2vir	(	const double	T,
		const EArrayd &	z ) const

pure virtual

Implemented in teqp::cppinterface::adapter::DerivativeAdapter< ModelPack >.

◆ get_Bnvir()

virtual std::map< int, double > teqp::cppinterface::AbstractModel::get_Bnvir	(	const int	Nderiv,
		const double	T,
		const EArrayd &	z ) const

pure virtual

Implemented in teqp::cppinterface::adapter::DerivativeAdapter< ModelPack >.

◆ get_chempotVLE_autodiff()

virtual EArrayd teqp::cppinterface::AbstractModel::get_chempotVLE_autodiff	(	const double	T,
		const EArrayd &	rhovec ) const

pure virtual

◆ get_criticality_conditions()

EArray2 teqp::cppinterface::AbstractModel::get_criticality_conditions	(	const double	T,
		const REArrayd &	rhovec ) const

virtual

Definition at line 87 of file AbstractModel_implementation.cpp.

◆ get_dchempotdT_autodiff()

virtual EArrayd teqp::cppinterface::AbstractModel::get_dchempotdT_autodiff	(	const double	T,
		const EArrayd &	rhovec ) const

pure virtual

◆ get_deriv_mat2()

virtual EArray33d teqp::cppinterface::AbstractModel::get_deriv_mat2	(	const double	T,
		double	rho,
		const EArrayd &	z ) const

pure virtual

Implemented in teqp::cppinterface::adapter::DerivativeAdapter< ModelPack >.

◆ get_dmBnvirdTm()

virtual double teqp::cppinterface::AbstractModel::get_dmBnvirdTm	(	const int	Nderiv,
		const int	NTderiv,
		const double	T,
		const EArrayd &	z ) const

pure virtual

Implemented in teqp::cppinterface::adapter::DerivativeAdapter< ModelPack >.

◆ get_dp_dT_crit()

double teqp::cppinterface::AbstractModel::get_dp_dT_crit	(	const double	T,
		const REArrayd &	rhovec ) const

virtual

Definition at line 83 of file AbstractModel_implementation.cpp.

◆ get_dpdrhovec_constT()

virtual EArrayd teqp::cppinterface::AbstractModel::get_dpdrhovec_constT	(	const double	T,
		const EArrayd &	rhovec ) const

pure virtual

◆ get_dpdT_constrhovec()

virtual double teqp::cppinterface::AbstractModel::get_dpdT_constrhovec	(	const double	T,
		const EArrayd &	rhovec ) const

pure virtual

◆ get_dpsat_dTsat_isopleth()

double teqp::cppinterface::AbstractModel::get_dpsat_dTsat_isopleth	(	const double	T,
		const REArrayd &	rhovecL,
		const REArrayd &	rhovecV ) const

virtual

Definition at line 65 of file AbstractModel_implementation.cpp.

◆ get_drhovec_dT_crit()

EArrayd teqp::cppinterface::AbstractModel::get_drhovec_dT_crit	(	const double	T,
		const REArrayd &	rhovec ) const

virtual

Definition at line 79 of file AbstractModel_implementation.cpp.

◆ get_drhovecdp_Tsat()

std::tuple< EArrayd, EArrayd > teqp::cppinterface::AbstractModel::get_drhovecdp_Tsat	(	const double	T,
		const REArrayd &	rhovecL,
		const REArrayd &	rhovecV ) const

virtual

Definition at line 59 of file AbstractModel_implementation.cpp.

◆ get_drhovecdT_psat()

std::tuple< EArrayd, EArrayd > teqp::cppinterface::AbstractModel::get_drhovecdT_psat	(	const double	T,
		const REArrayd &	rhovecL,
		const REArrayd &	rhovecV ) const

virtual

Definition at line 62 of file AbstractModel_implementation.cpp.

◆ get_fugacity_coefficients()

virtual EArrayd teqp::cppinterface::AbstractModel::get_fugacity_coefficients	(	const double	T,
		const EArrayd &	rhovec ) const

pure virtual

◆ get_minimum_eigenvalue_Psi_Hessian()

double teqp::cppinterface::AbstractModel::get_minimum_eigenvalue_Psi_Hessian	(	const double	T,
		const REArrayd &	rhovec ) const

virtual

Definition at line 95 of file AbstractModel_implementation.cpp.

◆ get_neff()

double teqp::cppinterface::AbstractModel::get_neff	(	const double	T,
		const double	rho,
		const EArrayd &	molefracs ) const

Definition at line 10 of file AbstractModel_implementation.cpp.

◆ get_partial_molar_volumes()

virtual EArrayd teqp::cppinterface::AbstractModel::get_partial_molar_volumes	(	const double	T,
		const EArrayd &	rhovec ) const

pure virtual

◆ get_pr()

virtual double teqp::cppinterface::AbstractModel::get_pr	(	const double	T,
		const EArrayd &	rhovec ) const

pure virtual

◆ get_Psir_sigma_derivs()

virtual Eigen::ArrayXd teqp::cppinterface::AbstractModel::get_Psir_sigma_derivs	(	const double	T,
		const EArrayd &	rhovec,
		const EArrayd &	v ) const

pure virtual

Implemented in teqp::cppinterface::adapter::DerivativeAdapter< ModelPack >.

◆ get_pure_critical_conditions_Jacobian()

std::tuple< EArrayd, EMatrixd > teqp::cppinterface::AbstractModel::get_pure_critical_conditions_Jacobian	(	const double	T,
		const double	rho,
		const std::optional< std::size_t > &	alternative_pure_index,
		const std::optional< std::size_t > &	alternative_length ) const

Definition at line 17 of file AbstractModel_implementation.cpp.

◆ get_R()

virtual double teqp::cppinterface::AbstractModel::get_R ( const EArrayd & ) const

pure virtual

Implemented in teqp::cppinterface::adapter::DerivativeAdapter< ModelPack >.

◆ get_splus()

virtual double teqp::cppinterface::AbstractModel::get_splus	(	const double	T,
		const EArrayd &	rhovec ) const

pure virtual

◆ get_type_index()

virtual const std::type_index & teqp::cppinterface::AbstractModel::get_type_index ( ) const

pure virtual

Implemented in teqp::cppinterface::adapter::DerivativeAdapter< ModelPack >.

◆ mix_VLE_Tp()

MixVLEReturn teqp::cppinterface::AbstractModel::mix_VLE_Tp	(	const double	T,
		const double	pgiven,
		const REArrayd &	rhovecL0,
		const REArrayd &	rhovecV0,
		const std::optional< MixVLETpFlags > &	flags = std::nullopt ) const

virtual

Definition at line 52 of file AbstractModel_implementation.cpp.

◆ mix_VLE_Tx()

std::tuple< VLE_return_code, EArrayd, EArrayd > teqp::cppinterface::AbstractModel::mix_VLE_Tx	(	const double	T,
		const REArrayd &	rhovecL0,
		const REArrayd &	rhovecV0,
		const REArrayd &	xspec,
		const double	atol,
		const double	reltol,
		const double	axtol,
		const double	relxtol,
		const int	maxiter ) const

virtual

Definition at line 48 of file AbstractModel_implementation.cpp.

◆ mix_VLLE_T()

std::tuple< VLLE::VLLE_return_code, EArrayd, EArrayd, EArrayd > teqp::cppinterface::AbstractModel::mix_VLLE_T	(	const double	T,
		const REArrayd &	rhovecVinit,
		const REArrayd &	rhovecL1init,
		const REArrayd &	rhovecL2init,
		const double	atol,
		const double	reltol,
		const double	axtol,
		const double	relxtol,
		const int	maxiter ) const

Definition at line 32 of file AbstractModel_implementation.cpp.

◆ mixture_VLE_px()

std::tuple< VLE_return_code, double, EArrayd, EArrayd > teqp::cppinterface::AbstractModel::mixture_VLE_px	(	const double	p_spec,
		const REArrayd &	xmolar_spec,
		const double	T0,
		const REArrayd &	rhovecL0,
		const REArrayd &	rhovecV0,
		const std::optional< MixVLEpxFlags > &	flags = std::nullopt ) const

virtual

Definition at line 55 of file AbstractModel_implementation.cpp.

◆ pure_VLE_T()

EArray2 teqp::cppinterface::AbstractModel::pure_VLE_T	(	const double	T,
		const double	rhoL,
		const double	rhoV,
		int	maxiter,
		const std::optional< Eigen::ArrayXd > &	molefracs = std::nullopt ) const

Definition at line 24 of file AbstractModel_implementation.cpp.

◆ R()

double teqp::cppinterface::AbstractModel::R ( const EArrayd & x ) const

inline

Definition at line 102 of file teqpcpp.hpp.

◆ solve_pure_critical()

std::tuple< double, double > teqp::cppinterface::AbstractModel::solve_pure_critical	(	const double	T,
		const double	rho,
		const std::optional< nlohmann::json > &	flags = std::nullopt ) const

Definition at line 14 of file AbstractModel_implementation.cpp.

◆ trace_critical_arclength_binary()

nlohmann::json teqp::cppinterface::AbstractModel::trace_critical_arclength_binary	(	const double	T0,
		const EArrayd &	rhovec0,
		const std::optional< std::string > &	filename = std::nullopt,
		const std::optional< TCABOptions > &	options = std::nullopt ) const

virtual

Definition at line 75 of file AbstractModel_implementation.cpp.

◆ trace_VLE_isobar_binary()

nlohmann::json teqp::cppinterface::AbstractModel::trace_VLE_isobar_binary	(	const double	p,
		const double	T0,
		const EArrayd &	rhovecL0,
		const EArrayd &	rhovecV0,
		const std::optional< PVLEOptions > &	options = std::nullopt ) const

virtual

Definition at line 71 of file AbstractModel_implementation.cpp.

◆ trace_VLE_isotherm_binary()

nlohmann::json teqp::cppinterface::AbstractModel::trace_VLE_isotherm_binary	(	const double	T0,
		const EArrayd &	rhovec0,
		const EArrayd &	rhovecV0,
		const std::optional< TVLEOptions > &	options = std::nullopt ) const

virtual

Definition at line 68 of file AbstractModel_implementation.cpp.

◆ trace_VLLE_binary()

nlohmann::json teqp::cppinterface::AbstractModel::trace_VLLE_binary	(	const double	T,
		const REArrayd &	rhovecV,
		const REArrayd &	rhovecL1,
		const REArrayd &	rhovecL2,
		const std::optional< VLLE::VLLETracerOptions >	options ) const

Definition at line 44 of file AbstractModel_implementation.cpp.

The documentation for this class was generated from the following files:

include/teqp/cpp/teqpcpp.hpp
interface/CPP/AbstractModel_implementation.cpp

Public Member Functions

Detailed Description

Constructor & Destructor Documentation

◆ ~AbstractModel()

Member Function Documentation

◆ build_d2PsirdTdrhoi_autodiff()

◆ build_Psi_Hessian_autodiff()

◆ build_Psir_fgradHessian_autodiff()

◆ build_Psir_gradient_autodiff()

◆ build_Psir_Hessian_autodiff()

◆ dpsatdT_pure()

◆ eigen_problem()

◆ extrapolate_from_critical()

◆ find_VLLE_p_binary()

◆ find_VLLE_T_binary()

◆ get_Ar00()

◆ get_Ar01()

◆ get_Ar01ep()

◆ get_Ar01n()

◆ get_Ar02()

◆ get_Ar02ep()

◆ get_Ar02n()

◆ get_Ar03()

◆ get_Ar03ep()

◆ get_Ar03n()

◆ get_Ar04()

◆ get_Ar04n()

◆ get_Ar05n()

◆ get_Ar06n()

◆ get_Ar10()

◆ get_Ar10n()

◆ get_Ar11()

◆ get_Ar12()

◆ get_Ar13()

◆ get_Ar14()

◆ get_Ar20()

◆ get_Ar20n()

◆ get_Ar21()

◆ get_Ar22()

◆ get_Ar23()

◆ get_Ar24()

◆ get_Ar30n()

◆ get_Ar40n()

◆ get_Arxy()

◆ get_AtaudeltaXi()

◆ get_AtaudeltaXiXj()

◆ get_AtaudeltaXiXjXk()

◆ get_ATrhoXi()

◆ get_ATrhoXiXj()

◆ get_ATrhoXiXjXk()

◆ get_B12vir()

◆ get_B2vir()

◆ get_Bnvir()

◆ get_chempotVLE_autodiff()

◆ get_criticality_conditions()

◆ get_dchempotdT_autodiff()

◆ get_deriv_mat2()

◆ get_dmBnvirdTm()

◆ get_dp_dT_crit()

◆ get_dpdrhovec_constT()

◆ get_dpdT_constrhovec()

◆ get_dpsat_dTsat_isopleth()

◆ get_drhovec_dT_crit()

◆ get_drhovecdp_Tsat()

◆ get_drhovecdT_psat()

◆ get_fugacity_coefficients()

◆ get_minimum_eigenvalue_Psi_Hessian()

◆ get_neff()

◆ get_partial_molar_volumes()

◆ get_pr()

◆ get_Psir_sigma_derivs()

◆ get_pure_critical_conditions_Jacobian()

◆ get_R()

◆ get_splus()

◆ get_type_index()

◆ mix_VLE_Tp()

◆ mix_VLE_Tx()

◆ mix_VLLE_T()

◆ mixture_VLE_px()

◆ pure_VLE_T()