From 0d73256947c7c79890a5f94622f0948645ea4da7 Mon Sep 17 00:00:00 2001
From: Johannes Ranke <johannes.ranke@jrwb.de>
Date: Thu, 5 Mar 2026 14:32:30 +0100
Subject: Make test robust against unavailable services

Test logs are without internet.
---
 tests/testthat/setup.R      |  4 ++++
 tests/testthat/test_chent.R | 17 +++++++++++------
 tests/testthat/test_pai.R   |  9 +++++----
 3 files changed, 20 insertions(+), 10 deletions(-)

(limited to 'tests/testthat')

diff --git a/tests/testthat/setup.R b/tests/testthat/setup.R
index fb55272..4232120 100644
--- a/tests/testthat/setup.R
+++ b/tests/testthat/setup.R
@@ -2,3 +2,7 @@
 skip_if_no_rdkit <- function() {
   if (!chents:::rdkit_available) skip("RDKit is not available via reticulate")
 }
+
+# Check availability of BCPC and PubChem
+bcpc_up <- webchem::ping_service("bcpc")
+pc_up <- webchem::ping_service("pc")
diff --git a/tests/testthat/test_chent.R b/tests/testthat/test_chent.R
index 76af7aa..4017042 100644
--- a/tests/testthat/test_chent.R
+++ b/tests/testthat/test_chent.R
@@ -3,15 +3,20 @@ test_that("We can initialise an object and add information", {
   expect_equal(oct$identifier, c(X1.octanol = "1-octanol")) # The name of the identifier is generated using make.names()
   expect_equal(oct$inchikey, structure(NA, source = "user"))
   expect_equal(oct$smiles, c(user = "CCCCCCCCO"))
-  oct$try_pubchem() |> 
-    expect_message("Querying PubChem for name 1-octanol") |> 
-    expect_warning("Overwriting uninitialized InChIKey")
-  expect_equal(oct$inchikey, structure("KBPLFHHGFOOTCA-UHFFFAOYSA-N", source = "pubchem"))
-  expect_equal(oct$smiles[["PubChem"]], "CCCCCCCCO")
+
+  if (webchem::ping_service("pc")) {
+    oct$try_pubchem() |> 
+      expect_message("Querying PubChem for name 1-octanol") |> 
+      expect_warning("Overwriting uninitialized InChIKey")
+    expect_equal(oct$inchikey, structure("KBPLFHHGFOOTCA-UHFFFAOYSA-N", source = "pubchem"))
+    expect_equal(oct$smiles[["PubChem"]], "CCCCCCCCO")
+    expect_equal(round(oct$mw, 2), structure(130.23, source = "pubchem"))
+  }
 
   skip_if_no_rdkit()
   oct$get_rdkit() |> 
     expect_message("Get chemical information from RDKit using user SMILES")
-  expect_equal(round(oct$mw, 2), structure(130.23, source = "pubchem"))
+
+  skip_if_not(pc_up)
   expect_snapshot(print(oct))
 })
diff --git a/tests/testthat/test_pai.R b/tests/testthat/test_pai.R
index 9d73b58..7d9c566 100644
--- a/tests/testthat/test_pai.R
+++ b/tests/testthat/test_pai.R
@@ -1,14 +1,15 @@
 test_that("a pai object is correctly generated", {
 
-  {glyphosate <- pai$new("glyphosate", rdkit = FALSE)} |> 
-    expect_message("Querying BCPC for glyphosate") |> 
+  skip_if_not(bcpc_up & pc_up)
+  {glyphosate <- pai$new("glyphosate", rdkit = FALSE)} |>
+    expect_message("Querying BCPC for glyphosate") |>
     expect_message("Querying PubChem for inchikey ")
-  
+
   # Check BCPC results
   expect_equal(glyphosate$bcpc$cas, "1071-83-6")
   expect_equal(glyphosate$bcpc$formula, "C3H8NO5P")
   expect_equal(glyphosate$bcpc$iupac_name, "N-(phosphonomethyl)glycine")
-  
+
   expect_equal(names(glyphosate$identifier), "glyphosate")
 
   # Check PubChem results
-- 
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