From c48ce5e3932983bc2303161ece40c2b195f70654 Mon Sep 17 00:00:00 2001
From: Ian Bell <ian.bell@nist.gov>
Date: Sat, 21 May 2022 18:31:22 -0400
Subject: [PATCH] Simplify the binding functions. Don't need lambdas, great
news
---
interface/pybind11_wrapper.hpp | 38 +++++++++++++++++-----------------
1 file changed, 19 insertions(+), 19 deletions(-)
diff --git a/interface/pybind11_wrapper.hpp b/interface/pybind11_wrapper.hpp
index e32a29a..1b0c23d 100644
--- a/interface/pybind11_wrapper.hpp
+++ b/interface/pybind11_wrapper.hpp
@@ -28,6 +28,7 @@ void add_derivatives(py::module &m, Wrapper &cls) {
m.def("get_pr", &id::get_pr, py::arg("model"), py::arg("T"), py::arg("rho"));
m.def("get_splus", &id::get_splus, py::arg("model"), py::arg("T"), py::arg("rho"));
+ cls.def("get_splus", &id::get_splus, py::arg("T"), py::arg("rho"));
m.def("build_Psir_Hessian_autodiff", &id::build_Psir_Hessian_autodiff, py::arg("model"), py::arg("T"), py::arg("rho"));
m.def("build_Psi_Hessian_autodiff", &id::build_Psi_Hessian_autodiff, py::arg("model"), py::arg("T"), py::arg("rho"));
@@ -40,9 +41,9 @@ void add_derivatives(py::module &m, Wrapper &cls) {
using vd = VirialDerivatives<Model, double, Eigen::Array<double,Eigen::Dynamic,1>>;
m.def("get_B2vir", &vd::get_B2vir, py::arg("model"), py::arg("T"), py::arg("molefrac").noconvert());
- cls.def("get_B2vir", [](const Model& m, const double T, const RAX molefrac) { return vd::get_B2vir(m, T, molefrac); }, py::arg("T"), py::arg("molefrac").noconvert());
- cls.def("get_Bnvir", [](const Model& m, const int Nderiv, const double T, const RAX molefrac) { return vd::get_Bnvir_runtime(Nderiv, m, T, molefrac); }, py::arg("Nderiv"), py::arg("T"), py::arg("molefrac").noconvert());
- cls.def("get_dmBnvirdTm", [](const Model& m, const int Nderiv, const int NTderiv, const double T, const RAX molefrac) { return vd::get_dmBnvirdTm_runtime(Nderiv, NTderiv, m, T, molefrac); }, py::arg("Nderiv"), py::arg("NTderiv"), py::arg("T"), py::arg("molefrac").noconvert());
+ cls.def("get_B2vir", &vd::get_B2vir, py::arg("T"), py::arg("molefrac").noconvert());
+ cls.def("get_Bnvir", &vd::get_Bnvir_runtime, py::arg("Nderiv"), py::arg("T"), py::arg("molefrac").noconvert());
+ cls.def("get_dmBnvirdTm", &vd::get_dmBnvirdTm_runtime, py::arg("Nderiv"), py::arg("NTderiv"), py::arg("T"), py::arg("molefrac").noconvert());
m.def("get_B12vir", &vd::get_B12vir, py::arg("model"), py::arg("T"), py::arg("molefrac").noconvert());
@@ -67,23 +68,22 @@ void add_derivatives(py::module &m, Wrapper &cls) {
m.def("mix_VLLE_T", &mix_VLLE_T<Model, double, Eigen::ArrayXd>);
m.def("find_VLLE_T_binary", &find_VLLE_T_binary<Model>, py::arg("model"), py::arg("traces"), py::arg_v("options", std::nullopt, "None"));
- //cls.def("get_Ar01", [](const Model& m, const double T, const Eigen::ArrayXd& rhovec) { return id::get_Ar01(m, T, rhovec); });
- //cls.def("get_Ar10", [](const Model& m, const double T, const Eigen::ArrayXd& rhovec) { return id::get_Ar10(m, T, rhovec); });
+ // Temperature, density, composition derivatives
using tdx = TDXDerivatives<Model, double, Eigen::Array<double, Eigen::Dynamic, 1> >;
cls.def("get_R", [](const Model& m, const RAX molefrac) { return m.R(molefrac); }, py::arg("molefrac").noconvert());
- cls.def("get_Ar00", [](const Model& m, const double T, const double rho, const RAX molefrac) { return tdx::get_Ar00(m, T, rho, molefrac); }, py::arg("T"), py::arg("rho"), py::arg("molefrac").noconvert());
- cls.def("get_Ar01", [](const Model& m, const double T, const double rho, const RAX molefrac) { return tdx::template get_Ar01<ADBackends::autodiff>(m, T, rho, molefrac); }, py::arg("T"), py::arg("rho"), py::arg("molefrac").noconvert());
- cls.def("get_Ar10", [](const Model& m, const double T, const double rho, const RAX molefrac) { return tdx::template get_Ar10<ADBackends::autodiff>(m, T, rho, molefrac); }, py::arg("T"), py::arg("rho"), py::arg("molefrac").noconvert());
- cls.def("get_Ar11", [](const Model& m, const double T, const double rho, const RAX molefrac) { return tdx::template get_Ar11<ADBackends::autodiff>(m, T, rho, molefrac); }, py::arg("T"), py::arg("rho"), py::arg("molefrac").noconvert());
- cls.def("get_Ar12", [](const Model& m, const double T, const double rho, const RAX molefrac) { return tdx::template get_Ar12<ADBackends::autodiff>(m, T, rho, molefrac); }, py::arg("T"), py::arg("rho"), py::arg("molefrac").noconvert());
- cls.def("get_Ar20", [](const Model& m, const double T, const double rho, const RAX molefrac) { return tdx::template get_Ar20<ADBackends::autodiff>(m, T, rho, molefrac); }, py::arg("T"), py::arg("rho"), py::arg("molefrac").noconvert());
-
- cls.def("get_Ar01n", [](const Model& m, const double T, const double rho, const RAX molefrac) { return tdx::template get_Ar0n<1>(m, T, rho, molefrac); }, py::arg("T"), py::arg("rho"), py::arg("molefrac").noconvert());
- cls.def("get_Ar02n", [](const Model& m, const double T, const double rho, const RAX molefrac) { return tdx::template get_Ar0n<2>(m, T, rho, molefrac); }, py::arg("T"), py::arg("rho"), py::arg("molefrac").noconvert());
- cls.def("get_Ar03n", [](const Model& m, const double T, const double rho, const RAX molefrac) { return tdx::template get_Ar0n<3>(m, T, rho, molefrac); }, py::arg("T"), py::arg("rho"), py::arg("molefrac").noconvert());
- cls.def("get_Ar04n", [](const Model& m, const double T, const double rho, const RAX molefrac) { return tdx::template get_Ar0n<4>(m, T, rho, molefrac); }, py::arg("T"), py::arg("rho"), py::arg("molefrac").noconvert());
- cls.def("get_Ar05n", [](const Model& m, const double T, const double rho, const RAX molefrac) { return tdx::template get_Ar0n<5>(m, T, rho, molefrac); }, py::arg("T"), py::arg("rho"), py::arg("molefrac").noconvert());
- cls.def("get_Ar06n", [](const Model& m, const double T, const double rho, const RAX molefrac) { return tdx::template get_Ar0n<6>(m, T, rho, molefrac); }, py::arg("T"), py::arg("rho"), py::arg("molefrac").noconvert());
- cls.def("get_neff", [](const Model& m, const double T, const double rho, const RAX molefrac) { return tdx::get_neff(m, T, rho, molefrac); }, py::arg("T"), py::arg("rho"), 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_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());
+ cls.def("get_Ar03n", &(tdx::template get_Ar0n<3>), py::arg("T"), py::arg("rho"), py::arg("molefrac").noconvert());
+ cls.def("get_Ar04n", &(tdx::template get_Ar0n<4>), py::arg("T"), py::arg("rho"), py::arg("molefrac").noconvert());
+ cls.def("get_Ar05n", &(tdx::template get_Ar0n<5>), py::arg("T"), py::arg("rho"), py::arg("molefrac").noconvert());
+ cls.def("get_Ar06n", &(tdx::template get_Ar0n<6>), py::arg("T"), py::arg("rho"), py::arg("molefrac").noconvert());
+ cls.def("get_neff", &(tdx::template get_neff<ADBackends::autodiff>), py::arg("T"), py::arg("rho"), py::arg("molefrac").noconvert());
+
}
\ No newline at end of file
--
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