#pragma once #include "teqp/models/fwd.hpp" #include "teqp/models/mie/lennardjones.hpp" #include "teqp/models/mie/mie.hpp" #include "teqp/exceptions.hpp" #include "teqp/cpp/deriv_adapter.hpp" #include "nlohmann/json.hpp" #include <memory> namespace teqp { inline AllowedModels build_model(const nlohmann::json& json) { // Extract the name of the model and the model parameters std::string kind = json.at("kind"); auto spec = json.at("model"); if (kind == "vdW1") { return vdWEOS1(spec.at("a"), spec.at("b")); } else if (kind == "vdW") { return vdWEOS<double>(spec.at("Tcrit / K"), spec.at("pcrit / Pa")); } else if (kind == "PR") { std::valarray<double> Tc_K = spec.at("Tcrit / K"), pc_Pa = spec.at("pcrit / Pa"), acentric = spec.at("acentric"); Eigen::ArrayXXd kmat(0, 0); if (spec.contains("kmat")){ kmat = build_square_matrix(spec.at("kmat")); } return canonical_PR(Tc_K, pc_Pa, acentric, kmat); } else if (kind == "SRK") { std::valarray<double> Tc_K = spec.at("Tcrit / K"), pc_Pa = spec.at("pcrit / Pa"), acentric = spec.at("acentric"); Eigen::ArrayXXd kmat(0, 0); if (spec.contains("kmat")){ kmat = build_square_matrix(spec.at("kmat")); } return canonical_SRK(Tc_K, pc_Pa, acentric, kmat); } else if (kind == "CPA") { return CPA::CPAfactory(spec); } else if (kind == "PCSAFT") { return PCSAFT::PCSAFTfactory(spec); } else if (kind == "SAFT-VR-Mie") { return SAFTVRMie::SAFTVRMiefactory(spec); } else if (kind == "multifluid") { return multifluidfactory(spec); } else if (kind == "SW_EspindolaHeredia2009"){ return squarewell::EspindolaHeredia2009(spec.at("lambda")); } else if (kind == "EXP6_Kataoka1992"){ return exp6::Kataoka1992(spec.at("alpha")); } else if (kind == "AmmoniaWaterTillnerRoth"){ return AmmoniaWaterTillnerRoth(); } else if (kind == "LJ126_TholJPCRD2016"){ return build_LJ126_TholJPCRD2016(); } else if (kind == "LJ126_KolafaNezbeda1994"){ return LJ126KolafaNezbeda1994(); } else if (kind == "LJ126_Johnson1993"){ return LJ126Johnson1993(); } else if (kind == "Mie_Pohl2023"){ return Mie::Mie6Pohl2023(spec.at("lambda_a")); } else if (kind == "2CLJF-Dipole"){ return twocenterljf::build_two_center_model_dipole(spec.at("author"), spec.at("L^*"), spec.at("(mu^*)^2")); } else if (kind == "2CLJF-Quadrupole"){ return twocenterljf::build_two_center_model_quadrupole(spec.at("author"), spec.at("L^*"), spec.at("(mu^*)^2")); } else if (kind == "IdealHelmholtz"){ return IdealHelmholtz(spec); } else { throw teqpcException(30, "Unknown kind:" + kind); } } };