From 8ebc98bc1a89e41ece3aee9996a34842e99cdb64 Mon Sep 17 00:00:00 2001
From: Ian Bell <ian.bell@nist.gov>
Date: Wed, 22 Mar 2023 13:16:39 -0400
Subject: [PATCH] Add special SAFT-VR-Mie methods
---
interface/pybind11_wrapper.cpp | 10 ++++++++++
1 file changed, 10 insertions(+)
diff --git a/interface/pybind11_wrapper.cpp b/interface/pybind11_wrapper.cpp
index 40813f3..15da6cb 100644
--- a/interface/pybind11_wrapper.cpp
+++ b/interface/pybind11_wrapper.cpp
@@ -104,6 +104,16 @@ void attach_model_specific_methods(py::object& obj){
setattr("max_rhoN", MethodType(py::cpp_function([](py::object& o, double T, REArrayd& molefrac){ return get_typed<PCSAFT_t>(o).max_rhoN(T, molefrac); }, "self"_a, "T"_a, "molefrac"_a), obj));
setattr("get_kmat", MethodType(py::cpp_function([](py::object& o){ return get_typed<PCSAFT_t>(o).get_kmat(); }), obj));
}
+ else if (std::holds_alternative<SAFTVRMie_t>(model)){
+ setattr("get_m", MethodType(py::cpp_function([](py::object& o){ return get_typed<SAFTVRMie_t>(o).get_m(); }), obj));
+ setattr("get_sigma_Angstrom", MethodType(py::cpp_function([](py::object& o){ return get_typed<SAFTVRMie_t>(o).get_sigma_Angstrom(); }), obj));
+ setattr("get_sigma_m", MethodType(py::cpp_function([](py::object& o){ return get_typed<SAFTVRMie_t>(o).get_sigma_m(); }), obj));
+ setattr("get_epsilon_over_k_K", MethodType(py::cpp_function([](py::object& o){ return get_typed<SAFTVRMie_t>(o).get_epsilon_over_k_K(); }), obj));
+ setattr("get_lambda_r", MethodType(py::cpp_function([](py::object& o){ return get_typed<SAFTVRMie_t>(o).get_lambda_r(); }), obj));
+ setattr("get_lambda_a", MethodType(py::cpp_function([](py::object& o){ return get_typed<SAFTVRMie_t>(o).get_lambda_a(); }), obj));
+// setattr("max_rhoN", MethodType(py::cpp_function([](py::object& o, double T, REArrayd& molefrac){ return get_typed<SAFTVRMie_t>(o).max_rhoN(T, molefrac); }, "self"_a, "T"_a, "molefrac"_a), obj));
+ setattr("get_kmat", MethodType(py::cpp_function([](py::object& o){ return get_typed<SAFTVRMie_t>(o).get_kmat(); }), obj));
+ }
else if (std::holds_alternative<canonical_cubic_t>(model)){
setattr("get_a", MethodType(py::cpp_function([](py::object& o, double T, REArrayd& molefrac){ return get_typed<canonical_cubic_t>(o).get_a(T, molefrac); }, "self"_a, "T"_a, "molefrac"_a), obj));
setattr("get_b", MethodType(py::cpp_function([](py::object& o, double T, REArrayd& molefrac){ return get_typed<canonical_cubic_t>(o).get_b(T, molefrac); }, "self"_a, "T"_a, "molefrac"_a), obj));
--
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