Expose the mix_VLE_Tx routine to Python

usnistgov · Feb 4, 2022 · 50b61af · 50b61af
1 parent e0f556e
commit 50b61af
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diff --git a/interface/pybind11_wrapper.cpp b/interface/pybind11_wrapper.cpp
@@ -53,6 +53,13 @@ void init_teqp(py::module& m) {
         .def_readwrite("integration_order", &TVLEOptions::integration_order)
         ;
 
+    py::enum_<VLE_return_code>(m, "VLE_return_code")
+        .value("unset", VLE_return_code::unset)
+        .value("xtol_satisfied", VLE_return_code::xtol_satisfied)
+        .value("functol_satisfied", VLE_return_code::functol_satisfied)
+        .value("maxiter_met", VLE_return_code::maxiter_met)
+        ;
+
     // Some functions for timing overhead of interface
     m.def("___mysummer", [](const double &c, const Eigen::ArrayXd &x) { return c*x.sum(); });
     using RAX = Eigen::Ref<Eigen::ArrayXd>;

diff --git a/interface/pybind11_wrapper.hpp b/interface/pybind11_wrapper.hpp
@@ -53,6 +53,7 @@ void add_derivatives(py::module &m, Wrapper &cls) {
 
     m.def("extrapolate_from_critical", &extrapolate_from_critical<Model, double>);
     m.def("pure_VLE_T", &pure_VLE_T<Model, double>);
+    m.def("mix_VLE_Tx", &mix_VLE_Tx<Model, double, Eigen::ArrayXd>);
     m.def("get_drhovecdp_Tsat", &get_drhovecdp_Tsat<Model, double, RAX>, py::arg("model"), py::arg("T"), py::arg("rhovecL").noconvert(), py::arg("rhovecV").noconvert());
     m.def("trace_VLE_isotherm_binary", &trace_VLE_isotherm_binary<Model, double, Eigen::ArrayXd>, py::arg("model"), py::arg("T"), py::arg("rhovecL0").noconvert(), py::arg("rhovecV0").noconvert(), py::arg_v("options", std::nullopt, "None"));