From 4fe3f60d7eafbd2ccc189e0a81698b2e6605495b Mon Sep 17 00:00:00 2001
From: Ian Bell <ian.bell@nist.gov>
Date: Sat, 8 May 2021 15:26:06 -0400
Subject: [PATCH] Clean up pybind11 wrapper to avoid copies where possible
---
interface/pybind11_wrapper.cpp | 54 ++++++++++++++--------------------
1 file changed, 22 insertions(+), 32 deletions(-)
diff --git a/interface/pybind11_wrapper.cpp b/interface/pybind11_wrapper.cpp
index bb368bc..7b13eb2 100644
--- a/interface/pybind11_wrapper.cpp
+++ b/interface/pybind11_wrapper.cpp
@@ -17,18 +17,6 @@
namespace py = pybind11;
-//template<typename Model>
-//void add_TDx_derivatives(py::module& m) {
-// using id = TDXDerivatives<Model, double, Eigen::Array<double, Eigen::Dynamic, 1> >;
-// //m.def("get_Ar00", &id::get_Ar00, py::arg("model"), py::arg("T"), py::arg("rho"), py::arg("molefrac"));
-// m.def("get_Ar10", &id::get_Ar10<ADBackends::autodiff>, py::arg("model"), py::arg("T"), py::arg("rho"), py::arg("molefrac"));
-// m.def("get_Ar01", &id::get_Ar01<ADBackends::autodiff>, py::arg("model"), py::arg("T"), py::arg("rho"), py::arg("molefrac"));
-// m.def("get_Ar11", &id::get_Ar11<ADBackends::autodiff>, py::arg("model"), py::arg("T"), py::arg("rho"), py::arg("molefrac"));
-// m.def("get_Ar02", &id::get_Ar02<ADBackends::autodiff>, py::arg("model"), py::arg("T"), py::arg("rho"), py::arg("molefrac"));
-// m.def("get_Ar20", &id::get_Ar20<ADBackends::autodiff>, py::arg("model"), py::arg("T"), py::arg("rho"), py::arg("molefrac"));
-// m.def("get_neff", &id::get_neff<ADBackends::autodiff>, py::arg("model"), py::arg("T"), py::arg("rho"), py::arg("molefrac"));
-//}
-
template<typename Model, typename Wrapper>
void add_derivatives(py::module &m, Wrapper &cls) {
using id = IsochoricDerivatives<Model, double, Eigen::Array<double,Eigen::Dynamic,1> >;
@@ -43,10 +31,8 @@ void add_derivatives(py::module &m, Wrapper &cls) {
m.def("build_Psir_gradient_autodiff", &id::build_Psir_gradient_autodiff, py::arg("model"), py::arg("T"), py::arg("rho"));
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"));
- m.def("get_B12vir", &vd::get_B12vir, py::arg("model"), py::arg("T"), py::arg("molefrac"));
-
- //add_TDx_derivatives<Model>(m);
+ m.def("get_B2vir", &vd::get_B2vir, py::arg("model"), py::arg("T"), py::arg("molefrac").noconvert());
+ m.def("get_B12vir", &vd::get_B12vir, py::arg("model"), py::arg("T"), py::arg("molefrac").noconvert());
using ct = CriticalTracing<Model, double, Eigen::Array<double, Eigen::Dynamic, 1>>;
m.def("trace_critical_arclength_binary", &ct::trace_critical_arclength_binary);
@@ -57,19 +43,20 @@ void add_derivatives(py::module &m, Wrapper &cls) {
//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); });
using tdx = TDXDerivatives<Model, double, Eigen::Array<double, Eigen::Dynamic, 1> >;
- cls.def("get_Ar00", [](const Model& m, const double T, const double rho, const Eigen::ArrayXd& molefrac) { return tdx::get_Ar00(m, T, rho, molefrac); }, py::arg("T"), py::arg("rho"), py::arg("molefrac"));
- cls.def("get_Ar01", [](const Model& m, const double T, const double rho, const Eigen::ArrayXd& molefrac) { return tdx::template get_Ar01<ADBackends::autodiff>(m, T, rho, molefrac); }, py::arg("T"), py::arg("rho"), py::arg("molefrac"));
- cls.def("get_Ar10", [](const Model& m, const double T, const double rho, const Eigen::ArrayXd& molefrac) { return tdx::template get_Ar10<ADBackends::autodiff>(m, T, rho, molefrac); }, py::arg("T"), py::arg("rho"), py::arg("molefrac"));
- cls.def("get_Ar11", [](const Model& m, const double T, const double rho, const Eigen::ArrayXd& molefrac) { return tdx::template get_Ar11<ADBackends::autodiff>(m, T, rho, molefrac); }, py::arg("T"), py::arg("rho"), py::arg("molefrac"));
- cls.def("get_Ar12", [](const Model& m, const double T, const double rho, const Eigen::ArrayXd& molefrac) { return tdx::template get_Ar12<ADBackends::autodiff>(m, T, rho, molefrac); }, py::arg("T"), py::arg("rho"), py::arg("molefrac"));
-
- cls.def("get_Ar01n", [](const Model& m, const double T, const double rho, const Eigen::ArrayXd& molefrac) { return tdx::template get_Ar0n<1>(m, T, rho, molefrac); }, py::arg("T"), py::arg("rho"), py::arg("molefrac"));
- cls.def("get_Ar02n", [](const Model& m, const double T, const double rho, const Eigen::ArrayXd& molefrac) { return tdx::template get_Ar0n<2>(m, T, rho, molefrac); }, py::arg("T"), py::arg("rho"), py::arg("molefrac"));
- cls.def("get_Ar03n", [](const Model& m, const double T, const double rho, const Eigen::ArrayXd& molefrac) { return tdx::template get_Ar0n<3>(m, T, rho, molefrac); }, py::arg("T"), py::arg("rho"), py::arg("molefrac"));
- cls.def("get_Ar04n", [](const Model& m, const double T, const double rho, const Eigen::ArrayXd& molefrac) { return tdx::template get_Ar0n<4>(m, T, rho, molefrac); }, py::arg("T"), py::arg("rho"), py::arg("molefrac"));
- cls.def("get_Ar05n", [](const Model& m, const double T, const double rho, const Eigen::ArrayXd& molefrac) { return tdx::template get_Ar0n<5>(m, T, rho, molefrac); }, py::arg("T"), py::arg("rho"), py::arg("molefrac"));
- cls.def("get_Ar06n", [](const Model& m, const double T, const double rho, const Eigen::ArrayXd& molefrac) { return tdx::template get_Ar0n<6>(m, T, rho, molefrac); }, py::arg("T"), py::arg("rho"), py::arg("molefrac"));
- cls.def("get_neff", [](const Model& m, const double T, const double rho, const Eigen::ArrayXd& molefrac) { return tdx::get_neff(m, T, rho, molefrac); }, py::arg("T"), py::arg("rho"), py::arg("molefrac"));
+ using RAX = Eigen::Ref<Eigen::ArrayXd>;
+ 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_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"));
}
/// Instantiate "instances" of models (really wrapped Python versions of the models), and then attach all derivative methods
@@ -116,9 +103,12 @@ void init_teqp(py::module& m) {
;
add_derivatives<MultiFluid>(m, wMF);
- // for timing testing
- m.def("mysummer", [](const double &c, const Eigen::ArrayXd &x) { return c*x.sum(); });
- m.def("myadder", [](const double& c, const double& d) { return c+d; });
+ // 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>;
+ using namespace pybind11::literals; // for "arg"_a
+ m.def("___mysummerref", [](const double& c, const RAX x) { return c * x.sum(); }, "c"_a, "x"_a.noconvert());
+ m.def("___myadder", [](const double& c, const double& d) { return c+d; });
}
--
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