From 4c09c323f58b6aea4dc4b12ff58da341a7cd2a13 Mon Sep 17 00:00:00 2001
From: Ian Bell <ian.bell@nist.gov>
Date: Sun, 24 Oct 2021 16:13:32 -0400
Subject: [PATCH] Throw if temperatures are out of range to superancillaries
---
include/teqp/models/cubicsuperancillary.hpp | 7 +++++++
src/tests/catch_test_cubics.cxx | 8 ++++++++
2 files changed, 15 insertions(+)
diff --git a/include/teqp/models/cubicsuperancillary.hpp b/include/teqp/models/cubicsuperancillary.hpp
index 6c6ecbf..d4c556d 100644
--- a/include/teqp/models/cubicsuperancillary.hpp
+++ b/include/teqp/models/cubicsuperancillary.hpp
@@ -50,6 +50,13 @@ public:
/// Evaluate the SuperAncillary
double y(double x) const{
+ // First check whether the input is possible
+ if (x < exps[0].xmin) {
+ throw std::invalid_argument("Ttilde (" + std::to_string(x) + ") is below the minimum of " + std::to_string(exps[0].xmin));
+ }
+ if (x > exps.back().xmax) {
+ throw std::invalid_argument("Ttilde (" + std::to_string(x) + ") is above the maximum of " + std::to_string(exps.back().xmax));
+ }
// Bisection to find the expansion
// we need
auto i = get_index(x);
diff --git a/src/tests/catch_test_cubics.cxx b/src/tests/catch_test_cubics.cxx
index 737f920..6d10711 100644
--- a/src/tests/catch_test_cubics.cxx
+++ b/src/tests/catch_test_cubics.cxx
@@ -40,6 +40,14 @@ TEST_CASE("Check calling superancillary curves", "[cubic][superanc]")
auto [rhoL, rhoV] = model.superanc_rhoLV(130.0);
CHECK(rhoL > rhoV);
}
+ SECTION("PR super large temp") {
+ auto model = canonical_PR(Tc_K, pc_Pa, acentric);
+ CHECK_THROWS(model.superanc_rhoLV(1.3e6));
+ }
+ SECTION("PR super small temp") {
+ auto model = canonical_PR(Tc_K, pc_Pa, acentric);
+ CHECK_THROWS(model.superanc_rhoLV(1.3e-10));
+ }
SECTION("SRK") {
auto model = canonical_SRK(Tc_K, pc_Pa, acentric);
auto [rhoL, rhoV] = model.superanc_rhoLV(130.0);
--
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