From ef09c53bf57735bc895f80f8cfde76f7419430fa Mon Sep 17 00:00:00 2001
From: Gerardo Tauriello <gerardo.tauriello@unibas.ch>
Date: Thu, 13 Jul 2017 00:39:44 +0200
Subject: [PATCH] Fixed QS scorer tests for missing clustalw and ambiguous
mappings
---
modules/mol/alg/tests/test_qsscoring.py | 14 ++++++++------
1 file changed, 8 insertions(+), 6 deletions(-)
diff --git a/modules/mol/alg/tests/test_qsscoring.py b/modules/mol/alg/tests/test_qsscoring.py
index 2ada7dfe9..4351c0509 100644
--- a/modules/mol/alg/tests/test_qsscoring.py
+++ b/modules/mol/alg/tests/test_qsscoring.py
@@ -1,6 +1,6 @@
-import unittest, os
+import unittest, os, sys
import ost
-from ost import io, mol
+from ost import io, mol, settings
from ost.mol.alg.qsscoring import *
@@ -462,10 +462,7 @@ class TestQSscore(unittest.TestCase):
self.assertEqual(sorted(qs_scorer.symm_2),
[('A', 'G'), ('B', 'I'), ('C', 'E'),
('D', 'K'), ('F', 'J'), ('H', 'L')])
- self.assertEqual(qs_scorer.chain_mapping,
- {'A': 'K', 'C': 'L', 'B': 'J', 'E': 'F',
- 'D': 'D', 'G': 'I', 'F': 'H', 'I': 'G',
- 'H': 'E', 'K': 'C', 'J': 'B', 'L': 'A'})
+ # chain mapping is ambiguous here so we cannot check it
def test_Urease(self):
ent_1 = _LoadFile('1e9y.1.pdb') # A12 B12, symmetry: T
@@ -688,6 +685,11 @@ class TestQSscore(unittest.TestCase):
if __name__ == "__main__":
+ try:
+ settings.Locate(('clustalw', 'clustalw2'))
+ except:
+ print "Could not find ClustalW. Ignoring test_qsscoring.py tests."
+ sys.exit(0)
from ost import testutils
if testutils.SetDefaultCompoundLib():
testutils.RunTests()
--
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