def test_distance(self):
m = SASModel()
n = SASModel()
m.read(self.testfile1)
n.read(self.testfile2)
f_np = m.dist(n, m.atoms, n.atoms, False)
f_cy = m.dist(n, m.atoms, n.atoms, True)
self.assertAlmostEqual(f_np, f_cy, 10,
"distance is the same %s!=%s" % (f_np, f_cy))
def test_same(self):
m = SASModel()
n = SASModel()
m.read(self.testfile1)
n.read(self.testfile1)
numpy.random.shuffle(n.atoms)
f_np = m.dist(n, m.atoms, n.atoms, False)
f_cy = m.dist(n, m.atoms, n.atoms, True)
self.assertAlmostEqual(f_np, 0, 10, "NSD not nul with np")
self.assertAlmostEqual(f_cy, 0, 10, "NSD not nul with cy")