From 0878f890b8aff8622165413e87e34848ad37ed4d Mon Sep 17 00:00:00 2001
From: Ian Bell <ian.bell@nist.gov>
Date: Wed, 25 May 2022 09:25:50 -0400
Subject: [PATCH] Add ability to access a single departure term in a
multi-fluid model (#14)
* Add ability to access a single departure term in a multi-fluid model
* Bump version to dev
---
include/teqp/models/multifluid.hpp | 14 ++++++++++++++
interface/multifluid.cpp | 1 +
interface/multifluid_mutant.cpp | 1 +
interface/teqpversion.hpp | 2 +-
4 files changed, 17 insertions(+), 1 deletion(-)
diff --git a/include/teqp/models/multifluid.hpp b/include/teqp/models/multifluid.hpp
index 4bec7c7..331368a 100644
--- a/include/teqp/models/multifluid.hpp
+++ b/include/teqp/models/multifluid.hpp
@@ -15,6 +15,7 @@
#include "teqp/constants.hpp"
#include "teqp/filesystem.hpp"
#include "teqp/json_tools.hpp"
+#include "teqp/exceptions.hpp"
#include "MultiComplex/MultiComplex.hpp"
@@ -108,6 +109,19 @@ public:
}
return forceeval(alphar);
}
+
+ /// Call a single departure term at i,j
+ template<typename TauType, typename DeltaType>
+ auto get_alpharij(const int i, const int j, const TauType& tau, const DeltaType& delta) const {
+ int N = funcs.size();
+ if (i < 0 || j < 0){
+ throw teqp::InvalidArgument("i or j is negative");
+ }
+ if (i >= N || j >= N){
+ throw teqp::InvalidArgument("i or j is invalid; size is " + std::to_string(N));
+ }
+ return forceeval(funcs[i][j].alphar(tau, delta));
+ }
};
template<typename CorrespondingTerm, typename DepartureTerm>
diff --git a/interface/multifluid.cpp b/interface/multifluid.cpp
index 594e955..4f09fa4 100644
--- a/interface/multifluid.cpp
+++ b/interface/multifluid.cpp
@@ -14,6 +14,7 @@ void add_multifluid(py::module& m) {
auto wMF = py::class_<MultiFluid>(m, "MultiFluid");
add_derivatives<MultiFluid>(m, wMF);
add_multifluid_methods<MultiFluid>(wMF);
+ wMF.def("get_alpharij", [](const MultiFluid& c, const int i, const int j, const double &tau, const double &delta) { return c.dep.get_alpharij(i, j, tau, delta); });
// Expose some additional functions for working with the JSON data structures and resolving aliases
m.def("get_BIPdep", &reducing::get_BIPdep, py::arg("BIPcollection"), py::arg("identifiers"), py::arg("flags") = nlohmann::json{});
diff --git a/interface/multifluid_mutant.cpp b/interface/multifluid_mutant.cpp
index f0cd365..bae14c8 100644
--- a/interface/multifluid_mutant.cpp
+++ b/interface/multifluid_mutant.cpp
@@ -28,6 +28,7 @@ void add_multifluid_mutant(py::module& m) {
add_derivatives<BIPmod>(m, wMFBIP);
add_multifluid_methods<BIPmod>(wMFBIP);
+ wMFBIP.def("get_alpharij", [](const BIPmod& c, const int i, const int j, const double &tau, const double &delta) { return c.depfunc.get_alpharij(i, j, tau, delta); });
// Wrap the deprecated function for generating a multifluid mutant called an invariant
m.def("build_multifluid_mutant_invariant", &build_multifluid_mutant<MultiFluid>);
diff --git a/interface/teqpversion.hpp b/interface/teqpversion.hpp
index 1edffdb..635c777 100644
--- a/interface/teqpversion.hpp
+++ b/interface/teqpversion.hpp
@@ -1,2 +1,2 @@
#include <string>
-const std::string TEQPVERSION = "0.8.1";
\ No newline at end of file
+const std::string TEQPVERSION = "0.8.1.dev0";
\ No newline at end of file
--
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