diff --git a/modules/io/tests/test_io_sdf.py b/modules/io/tests/test_io_sdf.py new file mode 100644 index 0000000000000000000000000000000000000000..718ac0691192f24ddbc04c71d2ef71d15fa631cf --- /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() + + +