def test_align_flat_rmsd(self):
for cout in xrange(20):
x = perturb(randomize_mol(methane))
y = perturb(randomize_mol(methane))
y = x.copy()
aligned_y = cm.align(x.copy(), y.copy())
self.assertAlmostEqual(cm.rmsd(x, y), cm.flat_rmsd(x, aligned_y), 5)
def dist(self, x, y):
return coord_math.rmsd(x, y)
def dist(self, x, y):
self.counter += 1
return coord_math.rmsd(x, y)