From 955225a47a137603c42462bcf4d8cea72e4c4474 Mon Sep 17 00:00:00 2001
From: Ian Bell <ian.bell@nist.gov>
Date: Fri, 17 Sep 2021 13:28:20 -0400
Subject: [PATCH] Swap the order, make propane first EOS
---
src/time_Ar0n.cpp | 15 +++++++++------
1 file changed, 9 insertions(+), 6 deletions(-)
diff --git a/src/time_Ar0n.cpp b/src/time_Ar0n.cpp
index 0bf7933..3a3b43d 100644
--- a/src/time_Ar0n.cpp
+++ b/src/time_Ar0n.cpp
@@ -30,7 +30,10 @@ auto some_REFPROP(obtainablethings thing, int Ncomp, int itau, int idelta, Taus&
std::vector<OneTiming> o;
if (thing == obtainablethings::PHIX) {
- std::valarray<double> z(20); z = 1.0 / static_cast<double>(Ncomp);
+ std::valarray<double> z(20); z = 0;
+ for (auto i = 0; i < Ncomp; ++i) {
+ z[i] = 1.0 / static_cast<double>(Ncomp);
+ }
for (auto repeat = 0; repeat < repeatmax; ++repeat) {
std::valarray<double> ps = 0.0 * taus;
double Arterm = -10000;
@@ -57,7 +60,7 @@ auto some_teqp(obtainablethings thing, int Ncomp, const Taus& taus, const Deltas
// And the same example with teqp
auto N = taus.size();
- auto c = Eigen::ArrayXd::Ones(Ncomp) / static_cast<double>(Ncomp);
+ auto c = (Eigen::ArrayXd::Ones(Ncomp) / static_cast<double>(Ncomp)).eval();
using tdx = TDXDerivatives<Model, double, decltype(c)>;
@@ -163,9 +166,9 @@ int main()
// Prepare some input values. It doesn't matter what the values of tau and delta are,
// so long as they are not the same since we are not doing a phase equilibrium calculation, just
// non-iterative calculations
- auto model = build_multifluid_model({ "n-Propane" }, "../mycp", "../mycp/dev/mixtures/mixture_binary_pairs.json");
- double rhoc = 1/model.redfunc.vc[0];
- double Tc = model.redfunc.Tc[0];
+ auto dummymodel = build_multifluid_model({ "n-Propane" }, "../mycp", "../mycp/dev/mixtures/mixture_binary_pairs.json");
+ double rhoc = 1/dummymodel.redfunc.vc[0];
+ double Tc = dummymodel.redfunc.Tc[0];
std::default_random_engine re;
std::valarray<double> taus(10000);
{
@@ -183,7 +186,7 @@ int main()
nlohmann::json outputs = nlohmann::json::array();
- std::vector<std::string> component_list = { "Methane","Ethane","n-Propane","n-Butane","n-Pentane","n-Hexane" };
+ std::vector<std::string> component_list = { "n-Propane","Ethane","Methane","n-Butane","n-Pentane","n-Hexane" };
for (int Ncomp : {1, 2, 3, 4, 5, 6}) {
std::vector<std::string> fluid_set(component_list.begin(), component_list.begin() + Ncomp);
--
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