From bcdfb5b026ec05b7eea2a7013ae4930ae5a9da63 Mon Sep 17 00:00:00 2001
From: Ian Bell <ian.bell@nist.gov>
Date: Thu, 3 Nov 2022 20:19:58 -0400
Subject: [PATCH] Fix json builder for cubics
---
include/teqp/json_builder.hpp | 17 ++++++++++-------
1 file changed, 10 insertions(+), 7 deletions(-)
diff --git a/include/teqp/json_builder.hpp b/include/teqp/json_builder.hpp
index 4371ac9..afc6959 100644
--- a/include/teqp/json_builder.hpp
+++ b/include/teqp/json_builder.hpp
@@ -11,16 +11,19 @@ namespace teqp {
inline AllowedModels build_model(const nlohmann::json& json) {
auto build_square_matrix = [](const std::valarray<std::valarray<double>>& m){
- Eigen::ArrayXXd mat;
// First assume that the matrix is square, resize
- mat.resize(m.size(), m.size());
+ Eigen::ArrayXXd mat(m.size(), m.size());
+ if (m.size() == 0){
+ return mat;
+ }
// Then copy elements over
for (auto i = 0; i < m.size(); ++i){
- if (m[i].size() != mat.rows()){
+ auto row = m[i];
+ if (row.size() != mat.rows()){
throw std::invalid_argument("provided matrix is not square");
}
- for (auto j = 0; i < m[i].size(); ++j){
- mat(i,j) = m[i][j];
+ for (auto j = 0; j < row.size(); ++j){
+ mat(i, j) = row[j];
}
}
return mat;
@@ -35,7 +38,7 @@ namespace teqp {
}
else if (kind == "PR") {
std::valarray<double> Tc_K = spec.at("Tcrit / K"), pc_Pa = spec.at("pcrit / Pa"), acentric = spec.at("acentric");
- Eigen::ArrayXXd kmat;
+ Eigen::ArrayXXd kmat(0, 0);
if (spec.contains("kmat")){
kmat = build_square_matrix(spec["kmat"]);
}
@@ -43,7 +46,7 @@ namespace teqp {
}
else if (kind == "SRK") {
std::valarray<double> Tc_K = spec.at("Tcrit / K"), pc_Pa = spec.at("pcrit / Pa"), acentric = spec.at("acentric");
- Eigen::ArrayXXd kmat;
+ Eigen::ArrayXXd kmat(0, 0);
if (spec.contains("kmat")){
kmat = build_square_matrix(spec["kmat"]);
}
--
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