def test_isowidths(self):
"""check ConstantPeakWidth properties bisowidth, uisowidth.
"""
from numpy import pi
cnpw = self.pwconst
dwpw = DebyeWallerPeakWidth()
bnds = self._genbonds(1, 2)
w0 = dwpw.calculate(bnds)
cnpw.uisowidth = self.tio2stru[[0, -1]].Uisoequiv.mean()
self.assertAlmostEqual(w0, cnpw.calculate(bnds), 12)
self.assertAlmostEqual(cnpw.bisowidth, 8 * pi**2 * cnpw.uisowidth, 12)
return
class TestDebyeWallerPeakWidth(unittest.TestCase):
def setUp(self):
self.pwm = DebyeWallerPeakWidth()
return
def test_type(self):
"""check DebyeWallerPeakWidth.type
"""
self.assertEqual('debye-waller', self.pwm.type())
self.assertEqual(0, len(self.pwm._namesOfDoubleAttributes()))
return
def test_pickling(self):
"""check pickling of DebyeWallerPeakWidth class.
"""
self.assertEqual('debye-waller', self.pwm.type())
pwm = self.pwm
pwm2 = cPickle.loads(cPickle.dumps(pwm))
self.assertEqual(DebyeWallerPeakWidth, type(pwm2))
return
class TestDebyeWallerPeakWidth(unittest.TestCase):
def setUp(self):
self.pwm = DebyeWallerPeakWidth()
return
def test_type(self):
"""check DebyeWallerPeakWidth.type
"""
self.assertEqual('debye-waller', self.pwm.type())
self.assertEqual(0, len(self.pwm._namesOfDoubleAttributes()))
return
def test_pickling(self):
"""check pickling of DebyeWallerPeakWidth class.
"""
self.assertEqual('debye-waller', self.pwm.type())
pwm = self.pwm
pwm2 = cPickle.loads(cPickle.dumps(pwm))
self.assertEqual(DebyeWallerPeakWidth, type(pwm2))
return
def setUp(self):
self.pwm = DebyeWallerPeakWidth()
return
def setUp(self):
self.pwm = DebyeWallerPeakWidth()
return
