From 2cb47edc13807225098fa448493ef17907fe9c64 Mon Sep 17 00:00:00 2001
From: Gabriel Studer <gabriel.studer@unibas.ch>
Date: Wed, 20 Nov 2019 17:01:49 +0100
Subject: [PATCH] basic unit tests for ialign
---
modules/bindings/tests/CMakeLists.txt | 1 +
modules/bindings/tests/test_ialign.py | 37 +++++++++++++++++++++++++++
2 files changed, 38 insertions(+)
create mode 100644 modules/bindings/tests/test_ialign.py
diff --git a/modules/bindings/tests/CMakeLists.txt b/modules/bindings/tests/CMakeLists.txt
index 089f1ae9b..3d3efc3ab 100644
--- a/modules/bindings/tests/CMakeLists.txt
+++ b/modules/bindings/tests/CMakeLists.txt
@@ -7,6 +7,7 @@ set(OST_BINDINGS_UNIT_TESTS
test_naccess.py
test_cadscore.py
test_tmtools.py
+ test_ialign.py
)
ost_unittest(MODULE bindings
diff --git a/modules/bindings/tests/test_ialign.py b/modules/bindings/tests/test_ialign.py
new file mode 100644
index 000000000..33b6f610d
--- /dev/null
+++ b/modules/bindings/tests/test_ialign.py
@@ -0,0 +1,37 @@
+import unittest
+from ost import *
+from ost import settings
+from ost import testutils
+from ost.seq.alg import SequenceIdentity
+from ost.bindings import ialign
+
+class TestIAlign(unittest.TestCase):
+
+ def setUp(self):
+ self.protein = io.LoadEntity("testfiles/testprotein.pdb")
+
+
+ def testIAlign(self):
+
+ try:
+ ialign_exec = settings.Locate('ialign.pl')
+ except:
+ print("Could not find ialign master perl script: ignoring unit tests")
+ return
+
+ ialign_result = ialign.iAlign(self.protein, self.protein)
+
+ # model and reference are the same, we expect pretty good results
+ self.assertEqual(ialign_result.rmsd, 0.0)
+ self.assertEqual(ialign_result.is_score, 1.0)
+ self.assertEqual(SequenceIdentity(ialign_result.alignment), 100.0)
+ self.assertEqual(ialign_result.aligned_residues, 78)
+ self.assertEqual(ialign_result.aligned_contacts, 91)
+
+ # transformation should be identity matrix (no transformation at all...)
+ identity = geom.Mat4(1,0,0,0, 0,1,0,0, 0,0,1,0, 0,0,0,1)
+ self.assertEqual(ialign_result.transform, identity)
+
+
+if __name__ == "__main__":
+ testutils.RunTests()
--
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