From 9a7ed966d521c085affda263c06a48983aaed156 Mon Sep 17 00:00:00 2001
From: Gabriel Studer <gabriel.studer@unibas.ch>
Date: Tue, 6 Jun 2023 08:29:41 +0200
Subject: [PATCH] Adapt compound library unit tests to OpenStructure 2.5.0
---
core/tests/test_setcompoundschemlib.py | 11 ++++-------
1 file changed, 4 insertions(+), 7 deletions(-)
diff --git a/core/tests/test_setcompoundschemlib.py b/core/tests/test_setcompoundschemlib.py
index 1efe735b..9e9ec482 100644
--- a/core/tests/test_setcompoundschemlib.py
+++ b/core/tests/test_setcompoundschemlib.py
@@ -49,9 +49,10 @@ class SetCompoundsChemlibTests(unittest.TestCase):
self.assertEqual(cmpd.formula, fake_gly[1])
def testCompoundsLibLoadedOnImport(self):
- # Check that importing promod3 loads the compounds library. First we
- # test that we do not have a lib before importing, afterwards we import
- # and check for Glycine. This test reads the systems/ installed lib
+ # Check that importing promod3 loads the compounds library. If we
+ # compiled OpenStructure with a valid compound library, it should
+ # already be loaded (as of OST 2.5.0) but if we import promod3, it
+ # should be there for sure. This test reads the systems/ installed lib
# which means an external data dependency. Lets assume this is OK: if
# we do not have a chemical components dictionary, we do not know amino
# acids, so ProMod3 would not work... We also check for essential
@@ -61,10 +62,6 @@ class SetCompoundsChemlibTests(unittest.TestCase):
# week, is that things may change and then our compounds list here will
# have to be updated, too.
- # before importing, we do not want to see a lib
- clib = conop.GetDefaultLib()
- self.assertIsNone(clib)
-
# now there should be one
import promod3# pylint: disable=unused-variable
clib = conop.GetDefaultLib()
--
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