#include "pybind11_wrapper.hpp" #include "teqp/models/multifluid.hpp" #include "teqp/models/ammonia_water.hpp" #include "teqp/models/multifluid_ancillaries.hpp" #include "teqp/derivs.hpp" #include "teqp/models/mie/lennardjones.hpp" #include "multifluid_shared.hpp" void add_AmmoniaWaterTillnerRoth(py::module&m ){ auto wAW = py::class_<AmmoniaWaterTillnerRoth>(m, "AmmoniaWaterTillnerRoth") .def(py::init<>()) .def_readonly("TcNH3", &AmmoniaWaterTillnerRoth::TcNH3) .def_readonly("vcNH3", &AmmoniaWaterTillnerRoth::vcNH3) .def("alphar_departure", &AmmoniaWaterTillnerRoth::alphar_departure<double, double, double>, py::arg("tau"), py::arg("delta"), py::arg("xNH3")) ; add_derivatives<AmmoniaWaterTillnerRoth>(m, wAW); } void add_multifluid(py::module& m) { // A single ancillary curve py::class_<VLEAncillary>(m, "VLEAncillary") .def(py::init<const nlohmann::json&>()) .def("__call__", &VLEAncillary::operator()) .def_readonly("T_r", &VLEAncillary::T_r) .def_readonly("Tmax", &VLEAncillary::Tmax) .def_readonly("Tmin", &VLEAncillary::Tmin) ; // The collection of VLE ancillary curves py::class_<MultiFluidVLEAncillaries>(m, "MultiFluidVLEAncillaries") .def(py::init<const nlohmann::json&>()) .def_readonly("rhoL", &MultiFluidVLEAncillaries::rhoL) .def_readonly("rhoV", &MultiFluidVLEAncillaries::rhoV) .def_readonly("pL", &MultiFluidVLEAncillaries::pL) .def_readonly("pV", &MultiFluidVLEAncillaries::pV) ; // Multifluid model m.def("build_multifluid_model", &build_multifluid_model, py::arg("components"), py::arg("coolprop_root"), py::arg("BIPcollectionpath") = "", py::arg("flags") = nlohmann::json{}, py::arg("departurepath") = ""); using MultiFluid = decltype(build_multifluid_model(std::vector<std::string>{"",""},"","")); auto wMF = py::class_<MultiFluid>(m, "MultiFluid"); add_derivatives<MultiFluid>(m, wMF); add_multifluid_methods<MultiFluid>(wMF); wMF.def("get_alpharij", [](const MultiFluid& c, const int i, const int j, const double &tau, const double &delta) { return c.dep.get_alpharij(i, j, tau, delta); }); // Expose some additional functions for working with the JSON data structures and resolving aliases m.def("get_BIPdep", &reducing::get_BIPdep, py::arg("BIPcollection"), py::arg("identifiers"), py::arg("flags") = nlohmann::json{}); m.def("build_alias_map", &build_alias_map, py::arg("root")); m.def("collect_component_json", &collect_component_json, py::arg("identifiers"), py::arg("root")); m.def("get_departure_json", &get_departure_json, py::arg("name"), py::arg("root")); m.def("build_LJ126_TholJPCRD2016", &teqp::build_LJ126_TholJPCRD2016); add_AmmoniaWaterTillnerRoth(m); }