From 7f7a325c1c385160d348e1818381a6ac941caa7a Mon Sep 17 00:00:00 2001
From: Xavier Robin <xavier.robin@unibas.ch>
Date: Fri, 17 Mar 2023 17:37:55 +0100
Subject: [PATCH] fix: SCHWED-5481 add missing file
---
modules/io/tests/test_io_sdf.py | 25 +++++++++++++++++++++++++
1 file changed, 25 insertions(+)
create mode 100644 modules/io/tests/test_io_sdf.py
diff --git a/modules/io/tests/test_io_sdf.py b/modules/io/tests/test_io_sdf.py
new file mode 100644
index 000000000..718ac0691
--- /dev/null
+++ b/modules/io/tests/test_io_sdf.py
@@ -0,0 +1,25 @@
+import unittest
+from ost import *
+import subprocess
+
+class TestSDF(unittest.TestCase):
+ def setUp(self):
+ pass
+
+ def test_LoadEntity(self):
+ ent = io.LoadSDF('testfiles/sdf/compound.sdf')
+ self.assertEqual(len(ent.chains), 4)
+ self.assertEqual(len(ent.atoms), 180)
+ self.assertEqual(len(ent.bonds), 188)
+
+ def test_LoadEntity_crlf(self):
+ ent = io.LoadSDF('testfiles/sdf/6d5w_rank1_crlf.sdf.gz')
+ self.assertEqual(len(ent.atoms), 21)
+ self.assertEqual(len(ent.bonds), 24)
+
+if __name__== '__main__':
+ from ost import testutils
+ testutils.RunTests()
+
+
+
--
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