#include <deriv_adapter.hpp>

Inheritance diagram for teqp::cppinterface::adapter::DerivativeAdapter< ModelPack >:

Public Member Functions
auto &	get_ModelPack_ref ()

const auto &	get_ModelPack_cref () const

template<typename T >
	DerivativeAdapter (internal::tag< T >, const T &&mp)

const std::type_index &	get_type_index () const override

virtual double	get_R (const EArrayd &molefrac) const override

virtual double	get_Arxy (const int NT, const int ND, const double T, const double rhomolar, const EArrayd &molefrac) const override

virtual ARN0_args double	get_Ar01ep (const double T, const double rho, const EArrayd &molefrac) const override

virtual double	get_Ar02ep (const double T, const double rho, const EArrayd &molefrac) const override

virtual double	get_Ar03ep (const double T, const double rho, const EArrayd &molefrac) const override

virtual double	get_B2vir (const double T, const EArrayd &z) const override

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

virtual double	get_B12vir (const double T, const EArrayd &z) const override

virtual double	get_dmBnvirdTm (const int Nderiv, const int NTderiv, const double T, const EArrayd &molefrac) const override

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

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

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

virtual double	get_AtaudeltaXi (const double tau, const int NT, const double delta, const int ND, const EArrayd &molefrac, const int i, const int NXi) const override

virtual double	get_AtaudeltaXiXj (const double tau, const int NT, const double delta, const int ND, const EArrayd &molefrac, const int i, const int NXi, const int j, const int NXj) const override

virtual double	get_AtaudeltaXiXjXk (const double tau, const int NT, const double delta, const int ND, const EArrayd &molefrac, const int i, const int NXi, const int j, const int NXj, const int k, const int NXk) const override

virtual ISOCHORIC_multimatrix_args Eigen::ArrayXd	get_Psir_sigma_derivs (const double T, const EArrayd &rhovec, const EArrayd &v) const override

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

Public Member Functions inherited from teqp::cppinterface::AbstractModel
virtual	~AbstractModel ()=default

double	R (const EArrayd &x) const

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_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

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

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

template<typename ModelPack>
class teqp::cppinterface::adapter::DerivativeAdapter< ModelPack >

This class holds a const reference to a class, and exposes an interface that matches that used in AbstractModel

The exposed methods cover all the derivative methods that are obtained by derivatives of the model, other methods in the AbstractModel implementation can then call methods implemented in this class

Note: This technique is known as type-erasure in C++

Definition at line 97 of file deriv_adapter.hpp.

Constructor & Destructor Documentation

◆ DerivativeAdapter()

template<typename ModelPack >

template<typename T >

teqp::cppinterface::adapter::DerivativeAdapter< ModelPack >::DerivativeAdapter	(	internal::tag< T >	,
		const T &&	mp )

inline

Definition at line 105 of file deriv_adapter.hpp.

Member Function Documentation

◆ get_Ar01ep()

template<typename ModelPack >

virtual ARN0_args double teqp::cppinterface::adapter::DerivativeAdapter< ModelPack >::get_Ar01ep	(	const double	T,
		const double	rho,
		const EArrayd &	molefrac ) const

inlineoverridevirtual

Implements teqp::cppinterface::AbstractModel.

Definition at line 138 of file deriv_adapter.hpp.

◆ get_Ar02ep()

template<typename ModelPack >

virtual double teqp::cppinterface::adapter::DerivativeAdapter< ModelPack >::get_Ar02ep	(	const double	T,
		const double	rho,
		const EArrayd &	molefrac ) const

inlineoverridevirtual

Implements teqp::cppinterface::AbstractModel.

Definition at line 146 of file deriv_adapter.hpp.

◆ get_Ar03ep()

template<typename ModelPack >

virtual double teqp::cppinterface::adapter::DerivativeAdapter< ModelPack >::get_Ar03ep	(	const double	T,
		const double	rho,
		const EArrayd &	molefrac ) const

inlineoverridevirtual

Implements teqp::cppinterface::AbstractModel.

Definition at line 154 of file deriv_adapter.hpp.

◆ get_Arxy()

template<typename ModelPack >

virtual double teqp::cppinterface::adapter::DerivativeAdapter< ModelPack >::get_Arxy	(	const int	NT,
		const int	ND,
		const double	T,
		const double	rhomolar,
		const EArrayd &	molefrac ) const

inlineoverridevirtual

Implements teqp::cppinterface::AbstractModel.

Definition at line 121 of file deriv_adapter.hpp.

◆ get_AtaudeltaXi()

template<typename ModelPack >

virtual double teqp::cppinterface::adapter::DerivativeAdapter< ModelPack >::get_AtaudeltaXi	(	const double	tau,
		const int	NT,
		const double	delta,
		const int	ND,
		const EArrayd &	molefrac,
		const int	i,
		const int	NXi ) const

inlineoverridevirtual

Implements teqp::cppinterface::AbstractModel.

Definition at line 189 of file deriv_adapter.hpp.

◆ get_AtaudeltaXiXj()

template<typename ModelPack >

virtual double teqp::cppinterface::adapter::DerivativeAdapter< ModelPack >::get_AtaudeltaXiXj	(	const double	tau,
		const int	NT,
		const double	delta,
		const int	ND,
		const EArrayd &	molefrac,
		const int	i,
		const int	NXi,
		const int	j,
		const int	NXj ) const

inlineoverridevirtual

Implements teqp::cppinterface::AbstractModel.

Definition at line 192 of file deriv_adapter.hpp.

◆ get_AtaudeltaXiXjXk()

template<typename ModelPack >

virtual double teqp::cppinterface::adapter::DerivativeAdapter< ModelPack >::get_AtaudeltaXiXjXk	(	const double	tau,
		const int	NT,
		const double	delta,
		const int	ND,
		const EArrayd &	molefrac,
		const int	i,
		const int	NXi,
		const int	j,
		const int	NXj,
		const int	k,
		const int	NXk ) const

inlineoverridevirtual

Implements teqp::cppinterface::AbstractModel.

Definition at line 195 of file deriv_adapter.hpp.

◆ get_ATrhoXi()

template<typename ModelPack >

virtual double teqp::cppinterface::adapter::DerivativeAdapter< ModelPack >::get_ATrhoXi	(	const double	T,
		const int	NT,
		const double	rhomolar,
		const int	ND,
		const EArrayd &	molefrac,
		const int	i,
		const int	NXi ) const

inlineoverridevirtual

Implements teqp::cppinterface::AbstractModel.

Definition at line 178 of file deriv_adapter.hpp.

◆ get_ATrhoXiXj()

template<typename ModelPack >

virtual double teqp::cppinterface::adapter::DerivativeAdapter< ModelPack >::get_ATrhoXiXj	(	const double	T,
		const int	NT,
		const double	rhomolar,
		const int	ND,
		const EArrayd &	molefrac,
		const int	i,
		const int	NXi,
		const int	j,
		const int	NXj ) const

inlineoverridevirtual

Implements teqp::cppinterface::AbstractModel.

Definition at line 181 of file deriv_adapter.hpp.

◆ get_ATrhoXiXjXk()

template<typename ModelPack >

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

inlineoverridevirtual

Implements teqp::cppinterface::AbstractModel.

Definition at line 184 of file deriv_adapter.hpp.

◆ get_B12vir()

template<typename ModelPack >

virtual double teqp::cppinterface::adapter::DerivativeAdapter< ModelPack >::get_B12vir	(	const double	T,
		const EArrayd &	z ) const

inlineoverridevirtual

Implements teqp::cppinterface::AbstractModel.

Definition at line 170 of file deriv_adapter.hpp.

◆ get_B2vir()

template<typename ModelPack >

virtual double teqp::cppinterface::adapter::DerivativeAdapter< ModelPack >::get_B2vir	(	const double	T,
		const EArrayd &	z ) const

inlineoverridevirtual

Implements teqp::cppinterface::AbstractModel.

Definition at line 164 of file deriv_adapter.hpp.

◆ get_Bnvir()

template<typename ModelPack >

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

inlineoverridevirtual

Implements teqp::cppinterface::AbstractModel.

Definition at line 167 of file deriv_adapter.hpp.

◆ get_deriv_mat2()

template<typename ModelPack >

virtual EArray33d teqp::cppinterface::adapter::DerivativeAdapter< ModelPack >::get_deriv_mat2	(	const double	T,
		double	rho,
		const EArrayd &	z ) const

inlineoverridevirtual

Implements teqp::cppinterface::AbstractModel.

Definition at line 216 of file deriv_adapter.hpp.

◆ get_dmBnvirdTm()

template<typename ModelPack >

virtual double teqp::cppinterface::adapter::DerivativeAdapter< ModelPack >::get_dmBnvirdTm	(	const int	Nderiv,
		const int	NTderiv,
		const double	T,
		const EArrayd &	molefrac ) const

inlineoverridevirtual

Implements teqp::cppinterface::AbstractModel.

Definition at line 173 of file deriv_adapter.hpp.

◆ get_ModelPack_cref()

template<typename ModelPack >

const auto & teqp::cppinterface::adapter::DerivativeAdapter< ModelPack >::get_ModelPack_cref ( ) const

inline

Definition at line 102 of file deriv_adapter.hpp.

◆ get_ModelPack_ref()

template<typename ModelPack >

auto & teqp::cppinterface::adapter::DerivativeAdapter< ModelPack >::get_ModelPack_ref ( )

inline

Definition at line 101 of file deriv_adapter.hpp.

◆ get_Psir_sigma_derivs()

template<typename ModelPack >

virtual ISOCHORIC_multimatrix_args Eigen::ArrayXd teqp::cppinterface::adapter::DerivativeAdapter< ModelPack >::get_Psir_sigma_derivs	(	const double	T,
		const EArrayd &	rhovec,
		const EArrayd &	v ) const

inlineoverridevirtual

Implements teqp::cppinterface::AbstractModel.

Definition at line 212 of file deriv_adapter.hpp.

◆ get_R()

template<typename ModelPack >

virtual double teqp::cppinterface::adapter::DerivativeAdapter< ModelPack >::get_R ( const EArrayd & molefrac ) const

inlineoverridevirtual

Implements teqp::cppinterface::AbstractModel.

Definition at line 117 of file deriv_adapter.hpp.

◆ get_type_index()

template<typename ModelPack >

const std::type_index & teqp::cppinterface::adapter::DerivativeAdapter< ModelPack >::get_type_index ( ) const

inlineoverridevirtual

Implements teqp::cppinterface::AbstractModel.

Definition at line 107 of file deriv_adapter.hpp.

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

include/teqp/cpp/deriv_adapter.hpp

Public Member Functions

Detailed Description

Constructor & Destructor Documentation

◆ DerivativeAdapter()

Member Function Documentation

◆ get_Ar01ep()

◆ get_Ar02ep()

◆ get_Ar03ep()

◆ get_Arxy()

◆ get_AtaudeltaXi()

◆ get_AtaudeltaXiXj()

◆ get_AtaudeltaXiXjXk()

◆ get_ATrhoXi()

◆ get_ATrhoXiXj()

◆ get_ATrhoXiXjXk()

◆ get_B12vir()

◆ get_B2vir()

◆ get_Bnvir()

◆ get_deriv_mat2()

◆ get_dmBnvirdTm()

◆ get_ModelPack_cref()

◆ get_ModelPack_ref()

◆ get_Psir_sigma_derivs()

◆ get_R()

◆ get_type_index()