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Commit ef09c53b authored by Gerardo Tauriello's avatar Gerardo Tauriello
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Fixed QS scorer tests for missing clustalw and ambiguous mappings

parent 51fa0b2e
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import unittest, os import unittest, os, sys
import ost import ost
from ost import io, mol from ost import io, mol, settings
from ost.mol.alg.qsscoring import * from ost.mol.alg.qsscoring import *
...@@ -462,10 +462,7 @@ class TestQSscore(unittest.TestCase): ...@@ -462,10 +462,7 @@ class TestQSscore(unittest.TestCase):
self.assertEqual(sorted(qs_scorer.symm_2), self.assertEqual(sorted(qs_scorer.symm_2),
[('A', 'G'), ('B', 'I'), ('C', 'E'), [('A', 'G'), ('B', 'I'), ('C', 'E'),
('D', 'K'), ('F', 'J'), ('H', 'L')]) ('D', 'K'), ('F', 'J'), ('H', 'L')])
self.assertEqual(qs_scorer.chain_mapping, # chain mapping is ambiguous here so we cannot check it
{'A': 'K', 'C': 'L', 'B': 'J', 'E': 'F',
'D': 'D', 'G': 'I', 'F': 'H', 'I': 'G',
'H': 'E', 'K': 'C', 'J': 'B', 'L': 'A'})
def test_Urease(self): def test_Urease(self):
ent_1 = _LoadFile('1e9y.1.pdb') # A12 B12, symmetry: T ent_1 = _LoadFile('1e9y.1.pdb') # A12 B12, symmetry: T
...@@ -688,6 +685,11 @@ class TestQSscore(unittest.TestCase): ...@@ -688,6 +685,11 @@ class TestQSscore(unittest.TestCase):
if __name__ == "__main__": 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 from ost import testutils
if testutils.SetDefaultCompoundLib(): if testutils.SetDefaultCompoundLib():
testutils.RunTests() testutils.RunTests()
......
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