From 95d81f330327acdbb717be0027501fbee7f3fe7d Mon Sep 17 00:00:00 2001
From: Ian Bell <ian.bell@nist.gov>
Date: Mon, 10 May 2021 15:11:57 -0400
Subject: [PATCH] Fix PC-SAFT
Check length of compositions, output type
---
include/teqp/models/pcsaft.hpp | 6 +++++-
1 file changed, 5 insertions(+), 1 deletion(-)
diff --git a/include/teqp/models/pcsaft.hpp b/include/teqp/models/pcsaft.hpp
index 9b39958..d1c4512 100644
--- a/include/teqp/models/pcsaft.hpp
+++ b/include/teqp/models/pcsaft.hpp
@@ -237,6 +237,10 @@ public:
std::size_t N = m.size();
+ if (mole_fractions.size() != N) {
+ throw std::invalid_argument("Length of mole_fractions (" + std::to_string(mole_fractions.size()) + ") is not the length of components (" + std::to_string(N) + ")");
+ }
+
using TRHOType = std::common_type_t<decltype(T), decltype(mole_fractions[0]), decltype(m[0])>;
SAFTCalc<TTYPE, TRHOType> c;
@@ -265,7 +269,7 @@ public:
std::vector<ta> zeta(4);
for (std::size_t n = 0; n < 4; ++n) {
// Eqn A.8
- Eigen::ArrayX<TTYPE> dn = c.d.pow(n);
+ auto dn = c.d.pow(n).eval();
TRHOType xmdn = forceeval((mole_fractions*m*dn).sum());
zeta[n] = forceeval(pi6*rho_A3*xmdn);
}
--
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