add simple test for temp_c arg

Meredith-Lab · Aug 15, 2024 · ed334fc · ed334fc
1 parent 050cedd
commit ed334fc
Showing 1 changed file with 8 additions and 0 deletions.
diff --git 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)
+})