def testHeaderType(self):
self.assertIsInstance(self.header, dict, 'header type is incorrect')
def testHeaderContent(self):
self.assertEqual(
self.header.get('classification'), 'SIGNALING PROTEIN',
'failed to get expected value for classification from header')
self.assertEqual(
self.header.get('experiment'), 'SOLUTION NMR',
'failed to get expected value for experiment from header')
self.assertEqual(
self.header.get('deposition_date'), '25-APR-08',
'failed to get expected value for deposition_date from header')
self.assertEqual(
self.header.get('identifier'), '2K39',
'failed to get expected value for identifier from header')
self.assertEqual(
self.header.get('title'),
'RECOGNITION DYNAMICS UP TO MICROSECONDS REVEALED FROM RDC '
'DERIVED UBIQUITIN ENSEMBLE IN SOLUTION',
'failed to get expected value for title from header dictionary')
def tearDown(self):
self.header = None
if __name__ == '__main__':
unittest.main()
self.model = ANM()
self.anm = self.model
self.buildMatrix = self.model.buildHessian
self.getMatrix = self.model.getHessian
self.setMatrix = self.model.setHessian
self.getExpected = anm.getHessian
def testSetHessianWrongShape(self):
"""Test response to wrong shape *hessian* argument."""
self.assertRaises(ValueError, self.model.setHessian, np.ones((5,5)))
def testBuildHessianSlow(self):
slow = ANM()
slow.buildHessian(ATOMS, slow=True)
assert_allclose(slow._getHessian(), anm._getHessian(),
rtol=0, atol=ATOL,
err_msg='slow method does not reproduce same Hessian')
assert_equal(slow._getKirchhoff(), anm._getKirchhoff(),
'slow method does not reproduce same Kirchhoff')
class TestGNMCalcModes(unittest.TestCase):
def setUp():
pass
if __name__ == '__main__':
unittest.main()