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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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