teqp 0.23.1
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Public Member Functions | Static Public Member Functions | List of all members
teqp::SAFTVRMie::SAFTVRMieMixture Class Reference

A class used to evaluate mixtures using the SAFT-VR-Mie model. More...

#include <saftvrmie.hpp>

Public Member Functions

auto build_polar (const std::vector< SAFTVRMieCoeffs > &coeffs) -> decltype(this->polar)
 SAFTVRMieMixture (const std::vector< std::string > &names, const std::optional< Eigen::ArrayXXd > &kmat=std::nullopt, const std::optional< nlohmann::json > &flags=std::nullopt)
 SAFTVRMieMixture (const std::vector< SAFTVRMieCoeffs > &coeffs, const std::optional< Eigen::ArrayXXd > &kmat=std::nullopt, const std::optional< nlohmann::json > &flags=std::nullopt)
 SAFTVRMieMixture (SAFTVRMieChainContributionTerms &&terms, const std::vector< SAFTVRMieCoeffs > &coeffs, std::optional< SAFTpolar::multipolar_contributions_variant > &&polar=std::nullopt)
SAFTVRMieMixture & operator= (const SAFTVRMieMixture &)=delete
auto chain_factory (const std::vector< SAFTVRMieCoeffs > &coeffs, const std::optional< Eigen::ArrayXXd > &kmat)
const auto & get_polar () const
bool has_polar () const
const auto & get_terms () const
auto get_core_calcs (double T, double rhomolar, const Eigen::ArrayXd &mole_fractions) const
auto get_names () const
auto get_BibTeXKeys () const
auto get_m () const
auto get_sigma_Angstrom () const
auto get_sigma_m () const
auto get_epsilon_over_k_K () const
auto get_kmat () const
auto get_lambda_r () const
auto get_lambda_a () const
auto get_EPSKIJ_matrix () const
auto get_SIGMAIJ_matrix () const
template<class VecType>
auto R (const VecType &molefrac) const
template<typename TTYPE, typename RhoType, typename VecType>
auto alphar (const TTYPE &T, const RhoType &rhomolar, const VecType &mole_fractions) const

Static Public Member Functions

static auto build_chain (const std::vector< SAFTVRMieCoeffs > &coeffs, const std::optional< Eigen::ArrayXXd > &kmat, const std::optional< nlohmann::json > &flags=std::nullopt)

Detailed Description

A class used to evaluate mixtures using the SAFT-VR-Mie model.

Definition at line 921 of file saftvrmie.hpp.

Constructor & Destructor Documentation

◆ SAFTVRMieMixture() [1/3]

teqp::SAFTVRMie::SAFTVRMieMixture::SAFTVRMieMixture ( const std::vector< std::string > & names,
const std::optional< Eigen::ArrayXXd > & kmat = std::nullopt,
const std::optional< nlohmann::json > & flags = std::nullopt )
inline

Definition at line 1003 of file saftvrmie.hpp.

◆ SAFTVRMieMixture() [2/3]

teqp::SAFTVRMie::SAFTVRMieMixture::SAFTVRMieMixture ( const std::vector< SAFTVRMieCoeffs > & coeffs,
const std::optional< Eigen::ArrayXXd > & kmat = std::nullopt,
const std::optional< nlohmann::json > & flags = std::nullopt )
inline

Definition at line 1004 of file saftvrmie.hpp.

◆ SAFTVRMieMixture() [3/3]

teqp::SAFTVRMie::SAFTVRMieMixture::SAFTVRMieMixture ( SAFTVRMieChainContributionTerms && terms,
const std::vector< SAFTVRMieCoeffs > & coeffs,
std::optional< SAFTpolar::multipolar_contributions_variant > && polar = std::nullopt )
inline

Definition at line 1005 of file saftvrmie.hpp.

Member Function Documentation

◆ alphar()

template<typename TTYPE, typename RhoType, typename VecType>
auto teqp::SAFTVRMie::SAFTVRMieMixture::alphar ( const TTYPE & T,
const RhoType & rhomolar,
const VecType & mole_fractions ) const
inline

Definition at line 1080 of file saftvrmie.hpp.

◆ build_chain()

auto teqp::SAFTVRMie::SAFTVRMieMixture::build_chain ( const std::vector< SAFTVRMieCoeffs > & coeffs,
const std::optional< Eigen::ArrayXXd > & kmat,
const std::optional< nlohmann::json > & flags = std::nullopt )
inlinestatic

Definition at line 958 of file saftvrmie.hpp.

◆ build_polar()

auto teqp::SAFTVRMie::SAFTVRMieMixture::build_polar ( const std::vector< SAFTVRMieCoeffs > & coeffs) -> decltype(this->polar)
inline

Definition at line 981 of file saftvrmie.hpp.

◆ chain_factory()

auto teqp::SAFTVRMie::SAFTVRMieMixture::chain_factory ( const std::vector< SAFTVRMieCoeffs > & coeffs,
const std::optional< Eigen::ArrayXXd > & kmat )
inline

Definition at line 1011 of file saftvrmie.hpp.

◆ get_BibTeXKeys()

auto teqp::SAFTVRMie::SAFTVRMieMixture::get_BibTeXKeys ( ) const
inline

Definition at line 1053 of file saftvrmie.hpp.

◆ get_core_calcs()

auto teqp::SAFTVRMie::SAFTVRMieMixture::get_core_calcs ( double T,
double rhomolar,
const Eigen::ArrayXd & mole_fractions ) const
inline

Definition at line 1021 of file saftvrmie.hpp.

◆ get_epsilon_over_k_K()

auto teqp::SAFTVRMie::SAFTVRMieMixture::get_epsilon_over_k_K ( ) const
inline

Definition at line 1057 of file saftvrmie.hpp.

◆ get_EPSKIJ_matrix()

auto teqp::SAFTVRMie::SAFTVRMieMixture::get_EPSKIJ_matrix ( ) const
inline

Definition at line 1061 of file saftvrmie.hpp.

◆ get_kmat()

auto teqp::SAFTVRMie::SAFTVRMieMixture::get_kmat ( ) const
inline

Definition at line 1058 of file saftvrmie.hpp.

◆ get_lambda_a()

auto teqp::SAFTVRMie::SAFTVRMieMixture::get_lambda_a ( ) const
inline

Definition at line 1060 of file saftvrmie.hpp.

◆ get_lambda_r()

auto teqp::SAFTVRMie::SAFTVRMieMixture::get_lambda_r ( ) const
inline

Definition at line 1059 of file saftvrmie.hpp.

◆ get_m()

auto teqp::SAFTVRMie::SAFTVRMieMixture::get_m ( ) const
inline

Definition at line 1054 of file saftvrmie.hpp.

◆ get_names()

auto teqp::SAFTVRMie::SAFTVRMieMixture::get_names ( ) const
inline

Definition at line 1052 of file saftvrmie.hpp.

◆ get_polar()

const auto & teqp::SAFTVRMie::SAFTVRMieMixture::get_polar ( ) const
inline

Definition at line 1015 of file saftvrmie.hpp.

◆ get_sigma_Angstrom()

auto teqp::SAFTVRMie::SAFTVRMieMixture::get_sigma_Angstrom ( ) const
inline

Definition at line 1055 of file saftvrmie.hpp.

◆ get_sigma_m()

auto teqp::SAFTVRMie::SAFTVRMieMixture::get_sigma_m ( ) const
inline

Definition at line 1056 of file saftvrmie.hpp.

◆ get_SIGMAIJ_matrix()

auto teqp::SAFTVRMie::SAFTVRMieMixture::get_SIGMAIJ_matrix ( ) const
inline

Definition at line 1062 of file saftvrmie.hpp.

◆ get_terms()

const auto & teqp::SAFTVRMie::SAFTVRMieMixture::get_terms ( ) const
inline

Definition at line 1020 of file saftvrmie.hpp.

◆ has_polar()

bool teqp::SAFTVRMie::SAFTVRMieMixture::has_polar ( ) const
inline

Definition at line 1018 of file saftvrmie.hpp.

◆ operator=()

SAFTVRMieMixture & teqp::SAFTVRMie::SAFTVRMieMixture::operator= ( const SAFTVRMieMixture & )
delete

◆ R()

template<class VecType>
auto teqp::SAFTVRMie::SAFTVRMieMixture::R ( const VecType & molefrac) const
inline

Definition at line 1075 of file saftvrmie.hpp.

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