From 187b8c9836cb1fb065706bbdce88038877b8bcaa Mon Sep 17 00:00:00 2001
From: Ian Bell <ian.bell@nist.gov>
Date: Wed, 3 Aug 2022 14:20:14 -0400
Subject: [PATCH] Simplify and expand the Arxy method wrapping
---
interface/pybind11_wrapper.hpp | 24 +++++++++++++++++++-----
1 file changed, 19 insertions(+), 5 deletions(-)
diff --git a/interface/pybind11_wrapper.hpp b/interface/pybind11_wrapper.hpp
index c573128..ed2d21d 100644
--- a/interface/pybind11_wrapper.hpp
+++ b/interface/pybind11_wrapper.hpp
@@ -16,6 +16,24 @@
namespace py = pybind11;
using namespace teqp;
+template<typename Model, int iT, int iD, typename Class>
+void add_res_deriv_impl(Class& cls) {
+ using idx = TDXDerivatives<Model>;
+ using RAX = Eigen::Ref<Eigen::ArrayXd>;
+ const std::string fname = "get_Ar" + std::to_string(iT) + std::to_string(iD);
+ cls.def(fname.c_str(),
+ [](const Model& m, const double T, const double rho, const RAX molefrac) { return idx::template get_Arxy<iT, iD, ADBackends::autodiff>(m, T, rho, molefrac); },
+ py::arg("T"), py::arg("rho"), py::arg("molefrac").noconvert()
+ );
+}
+
+template<typename Model, typename Class>
+void add_res_derivatives(Class& cls) {
+ add_res_deriv_impl<Model, 0, 0>(cls); add_res_deriv_impl<Model, 0, 1>(cls); add_res_deriv_impl<Model, 0, 2>(cls); add_res_deriv_impl<Model, 0, 3>(cls); add_res_deriv_impl<Model, 0, 4>(cls);
+ add_res_deriv_impl<Model, 1, 0>(cls); add_res_deriv_impl<Model, 1, 1>(cls); add_res_deriv_impl<Model, 1, 2>(cls); add_res_deriv_impl<Model, 1, 3>(cls); add_res_deriv_impl<Model, 1, 4>(cls);
+ add_res_deriv_impl<Model, 2, 0>(cls); add_res_deriv_impl<Model, 2, 1>(cls); add_res_deriv_impl<Model, 2, 2>(cls); add_res_deriv_impl<Model, 2, 3>(cls); add_res_deriv_impl<Model, 2, 4>(cls);
+}
+
template<typename Model, typename Wrapper>
void add_derivatives(py::module &m, Wrapper &cls) {
@@ -75,11 +93,7 @@ void add_derivatives(py::module &m, Wrapper &cls) {
cls.def("get_R", [](const Model& m, const RAX molefrac) { return m.R(molefrac); }, py::arg("molefrac").noconvert());
cls.def("get_Ar00", &tdx::get_Ar00, py::arg("T"), py::arg("rho"), py::arg("molefrac").noconvert());
- cls.def("get_Ar01", &(tdx::template get_Ar01<ADBackends::autodiff>), py::arg("T"), py::arg("rho"), py::arg("molefrac").noconvert());
- cls.def("get_Ar10", &(tdx::template get_Ar10<ADBackends::autodiff>), py::arg("T"), py::arg("rho"), py::arg("molefrac").noconvert());
- cls.def("get_Ar11", &(tdx::template get_Ar11<ADBackends::autodiff>), py::arg("T"), py::arg("rho"), py::arg("molefrac").noconvert());
- cls.def("get_Ar12", &(tdx::template get_Ar12<ADBackends::autodiff>), py::arg("T"), py::arg("rho"), py::arg("molefrac").noconvert());
- cls.def("get_Ar20", &(tdx::template get_Ar20<ADBackends::autodiff>), py::arg("T"), py::arg("rho"), py::arg("molefrac").noconvert());
+ add_res_derivatives<Model>(cls); // All the residual derivatives
cls.def("get_Ar01n", &(tdx::template get_Ar0n<1>), py::arg("T"), py::arg("rho"), py::arg("molefrac").noconvert());
cls.def("get_Ar02n", &(tdx::template get_Ar0n<2>), py::arg("T"), py::arg("rho"), py::arg("molefrac").noconvert());
--
GitLab