From 494222f9dd8ec0efcb7c9862c1b33a30ad88fde8 Mon Sep 17 00:00:00 2001
From: Xavier Robin <xavier.robin@unibas.ch>
Date: Wed, 14 Feb 2024 15:40:47 +0100
Subject: [PATCH] CI: test a CI failure
This worfklow is expected to fail with an error in
test_ligand_scoring.py_run. If it fails it means the compound lib is
properly setup.
---
modules/mol/alg/tests/test_ligand_scoring.py | 2 +-
1 file changed, 1 insertion(+), 1 deletion(-)
diff --git a/modules/mol/alg/tests/test_ligand_scoring.py b/modules/mol/alg/tests/test_ligand_scoring.py
index df2cd5287..7965281e9 100644
--- a/modules/mol/alg/tests/test_ligand_scoring.py
+++ b/modules/mol/alg/tests/test_ligand_scoring.py
@@ -331,7 +331,7 @@ class TestLigandScoring(unittest.TestCase):
ed.UpdateXCS()
with self.assertRaises(RuntimeError):
- sc = LigandScorer(mdl, trg, [mdl.FindResidue("I", 1)], [trg.FindResidue("I", 1)], check_resnames=True)
+ sc = LigandScorer(mdl, trg, [mdl.FindResidue("I", 1)], [trg.FindResidue("I", 1)], check_resnames=False)
sc._compute_scores()
sc = LigandScorer(mdl, trg, [mdl.FindResidue("I", 1)], [trg.FindResidue("I", 1)], check_resnames=False)
--
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