From d5046161a73d7c1f2b389e2c99949bfee24e306f Mon Sep 17 00:00:00 2001
From: Ian Bell <ian.bell@nist.gov>
Date: Fri, 19 Aug 2022 10:06:34 -0400
Subject: [PATCH] Break VLE isobar and isotherm tracing if any molar
concentrations are not finite
---
include/teqp/algorithms/VLE.hpp | 4 ++--
1 file changed, 2 insertions(+), 2 deletions(-)
diff --git a/include/teqp/algorithms/VLE.hpp b/include/teqp/algorithms/VLE.hpp
index 019fbaa..c2c158a 100644
--- a/include/teqp/algorithms/VLE.hpp
+++ b/include/teqp/algorithms/VLE.hpp
@@ -847,7 +847,7 @@ auto trace_VLE_isotherm_binary(const Model &model, Scalar T, VecType rhovecL0, V
auto rhovecV = Eigen::Map<const Eigen::ArrayXd>(&(x0[0]) + N, N);
auto x = rhovecL / rhovecL.sum();
auto y = rhovecV / rhovecV.sum();
- if ((x < 0).any() || (x > 1).any() || (y < 0).any() || (y > 1).any()) {
+ if ((x < 0).any() || (x > 1).any() || (y < 0).any() || (y > 1).any() || (!rhovecL.isFinite()).any() || (!rhovecV.isFinite()).any()) {
return true;
}
else {
@@ -1076,7 +1076,7 @@ auto trace_VLE_isobar_binary(const Model& model, Scalar p, Scalar T0, VecType rh
auto rhovecV = Eigen::Map<const Eigen::ArrayXd>(&(x0[1]) + N, N);
auto x = rhovecL / rhovecL.sum();
auto y = rhovecV / rhovecV.sum();
- if ((x < 0).any() || (x > 1).any() || (y < 0).any() || (y > 1).any()) {
+ if ((x < 0).any() || (x > 1).any() || (y < 0).any() || (y > 1).any() || (!rhovecL.isFinite()).any() || (!rhovecV.isFinite()).any()) {
return true;
}
else {
--
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