From 044db2f67b1920a2586314c0d82ac3a07b2f786f Mon Sep 17 00:00:00 2001
From: Stefan Bienert <stefan.bienert@unibas.ch>
Date: Wed, 24 Feb 2016 15:58:42 +0100
Subject: [PATCH] Proper testing of existance of compounds lib
---
modules/conop/tests/test_compound.py | 43 ++++++++++++++++------------
1 file changed, 25 insertions(+), 18 deletions(-)
diff --git a/modules/conop/tests/test_compound.py b/modules/conop/tests/test_compound.py
index 700f52b28..80e9ac8b6 100644
--- a/modules/conop/tests/test_compound.py
+++ b/modules/conop/tests/test_compound.py
@@ -1,30 +1,37 @@
import unittest
+import os
+from ost import GetSharedDataPath, SetPrefixPath
from ost import mol
from ost import conop
+def setUpModule():
+ SetPrefixPath(os.path.abspath(os.path.join(conop.__path__[0], os.pardir,
+ os.pardir, os.pardir,
+ os.pardir, os.pardir)))
+ compound_lib_path = os.path.join(GetSharedDataPath(),
+ 'compounds.chemlib')
+ compound_lib = conop.CompoundLib.Load(compound_lib_path)
+ conop.SetDefaultLib(compound_lib)
+
class TestCompound(unittest.TestCase):
-
- def setUp(self):
- self.compound_lib=conop.GetDefaultLib()
+ def setUp(self):
+ self.compound_lib=conop.GetDefaultLib()
- def testFindCompound(self):
- compound=self.compound_lib.FindCompound('***')
- self.assertEqual(compound, None)
- compound=self.compound_lib.FindCompound('ALA')
- self.assertNotEqual(compound, None)
- self.assertEqual(compound.id, 'ALA')
- self.assertEqual(compound.three_letter_code, 'ALA')
- self.assertEqual(compound.one_letter_code, 'A')
- self.assertTrue(compound.IsPeptideLinking())
- self.assertEqual(compound.dialect, 'PDB')
- self.assertEqual(compound.formula, 'C3 H7 N O2')
- self.assertEqual(compound.chem_class, mol.L_PEPTIDE_LINKING)
+ def testFindCompound(self):
+ compound=self.compound_lib.FindCompound('***')
+ self.assertEqual(compound, None)
+ compound=self.compound_lib.FindCompound('ALA')
+ self.assertNotEqual(compound, None)
+ self.assertEqual(compound.id, 'ALA')
+ self.assertEqual(compound.three_letter_code, 'ALA')
+ self.assertEqual(compound.one_letter_code, 'A')
+ self.assertTrue(compound.IsPeptideLinking())
+ self.assertEqual(compound.dialect, 'PDB')
+ self.assertEqual(compound.formula, 'C3 H7 N O2')
+ self.assertEqual(compound.chem_class, mol.L_PEPTIDE_LINKING)
if __name__=='__main__':
- if not conop.GetDefaultLib():
- print 'No compound library available. ignoring compound unit tests'
- else:
from ost import testutils
testutils.RunTests()
--
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