From 985fd9baba8134e9e56b82aff0661534101ce765 Mon Sep 17 00:00:00 2001
From: Ian Bell <ian.bell@nist.gov>
Date: Tue, 13 Sep 2022 18:18:09 -0600
Subject: [PATCH] Add dalphardep_ddelta for Tillner-Roth departure function
---
interface/multifluid.cpp | 5 +++++
1 file changed, 5 insertions(+)
diff --git a/interface/multifluid.cpp b/interface/multifluid.cpp
index d9b0d24..4f30bd0 100644
--- a/interface/multifluid.cpp
+++ b/interface/multifluid.cpp
@@ -16,6 +16,11 @@ void add_AmmoniaWaterTillnerRoth(py::module&m ){
.def("get_Tr", &AmmoniaWaterTillnerRoth::get_Treducing<Eigen::ArrayXd>)
.def("get_rhor", &AmmoniaWaterTillnerRoth::get_rhoreducing<Eigen::ArrayXd>)
.def("alphar_departure", &AmmoniaWaterTillnerRoth::alphar_departure<double, double, double>, py::arg("tau"), py::arg("delta"), py::arg("xNH3"))
+ .def("dalphar_departure_ddelta", [](const AmmoniaWaterTillnerRoth& c, const double& tau, const double& delta, const double& xNH3) {
+ autodiff::Real<1, double> delta_ = delta;
+ auto f = [&c, &tau, &xNH3](const auto& delta_) { return c.alphar_departure(tau, delta_, xNH3); };
+ return derivatives(f, along(1), at(delta_))[1];
+ }, py::arg("tau"), py::arg("delta"), py::arg("xNH3"))
;
add_derivatives<AmmoniaWaterTillnerRoth>(m, wAW);
}
--
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