From c955a54e799eff5214775060a95ce08d587fd9e2 Mon Sep 17 00:00:00 2001
From: Ian Bell <ian.bell@nist.gov>
Date: Fri, 2 Jun 2023 16:43:33 -0400
Subject: [PATCH] Fix output of dmat
---
include/teqp/models/saftvrmie.hpp | 2 +-
src/tests/catch_test_SAFTVRMie.cxx | 16 ++++++++++++++++
2 files changed, 17 insertions(+), 1 deletion(-)
diff --git a/include/teqp/models/saftvrmie.hpp b/include/teqp/models/saftvrmie.hpp
index 029b238..f50d7b0 100644
--- a/include/teqp/models/saftvrmie.hpp
+++ b/include/teqp/models/saftvrmie.hpp
@@ -784,7 +784,7 @@ public:
auto fromArrayX = [](const Eigen::ArrayXd &x){std::valarray<double>n(x.size()); for (auto i =0; i < n.size(); ++i){ n[i] = x[i];} return n;};
auto fromArrayXX = [](const Eigen::ArrayXXd &x){
std::size_t N = x.rows();
- std::vector<std::vector<double>> n; n.resize(x.size());
+ std::vector<std::vector<double>> n; n.resize(N);
for (auto i = 0; i < N; ++i){
n[i].resize(N);
for (auto j = 0; j < N; ++j){
diff --git a/src/tests/catch_test_SAFTVRMie.cxx b/src/tests/catch_test_SAFTVRMie.cxx
index 65a154f..d03cbc6 100644
--- a/src/tests/catch_test_SAFTVRMie.cxx
+++ b/src/tests/catch_test_SAFTVRMie.cxx
@@ -326,6 +326,22 @@ TEST_CASE("Check B and its temperature derivatives", "[SAFTVRMie],[B]")
CHECK(TdBdT == Approx(TdBdTnondilute));
}
+TEST_CASE("Check output of dmat", "[SAFTVRMiedmat]")
+{
+ auto j = nlohmann::json::parse(R"({
+ "kind": "SAFT-VR-Mie",
+ "model": {
+ "names": ["Methane", "Ethane"]
+ }
+ })");
+ CHECK_NOTHROW(teqp::cppinterface::make_model(j));
+ auto ptr = teqp::cppinterface::make_model(j);
+ const auto& model = teqp::cppinterface::adapter::get_model_cref<SAFTVRMie_t>(ptr.get());
+ auto z = (Eigen::ArrayXd(2) << 0.300, 0.7).finished();
+ auto jj = model.get_core_calcs(300, 0.5, z);
+ std::cout << jj.dump(2) << std::endl;
+}
+
TEST_CASE("Check ln(phi) and its derivatives", "[SAFTVRMielnphi]")
{
std::vector<std::string> names = {"Methane", "Ethane"};
--
GitLab