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import unittest
import sys
from ost import *
from ost import settings
from ost.bindings import hbplus
class TestHBPlusBinding(unittest.TestCase):
def setUp(self):
self.protein = io.LoadEntity("testfiles/testprotein.pdb")
def testHBondList(self):
hbond_list = hbplus.HBondList(self.protein)
self.assertEqual(len(hbond_list), 499)
def testHBondScore(self):
self.assertEqual(hbplus.HBondScore(self.protein, self.protein), 1.0)
if __name__ == "__main__":
try:
settings.Locate("hbplus")
except:
print("Could not find hbplus, could not test binding...")
sys.exit(0)
from ost import testutils
testutils.RunTests()
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