From ed334fc878b35aea3799a1594400bbcaeb05f348 Mon Sep 17 00:00:00 2001
From: Eric Scott <scottericr@gmail.com>
Date: Thu, 15 Aug 2024 16:25:00 -0700
Subject: [PATCH] add simple test for temp_c arg

---
 tests/testthat/test-simpol1.R | 8 ++++++++
 1 file changed, 8 insertions(+)

diff --git a/tests/testthat/test-simpol1.R b/tests/testthat/test-simpol1.R
index 86ba1e1..ec6f1ec 100644
--- a/tests/testthat/test-simpol1.R
+++ b/tests/testthat/test-simpol1.R
@@ -15,3 +15,11 @@ test_that("isoprene is more volatile than glucose", {
   expect_gt(log10P_together[1], log10P_together[2])
   expect_equal(log10P_together, log10P_separate)
 })
+
+test_that("changing temperature does something", {
+  isoprene <- ChemmineR::read.SDFset(mol_example()[5])
+  groups <- get_fx_groups(isoprene)
+  c_30 <- simpol1(groups, temp_c = 30)$log10_P
+  c_20 <- simpol1(groups, temp_c = 20)$log10_P
+  expect_gt(c_30, c_20)
+})