Python rmsd Examples

Example #1

File: test_coord_math.py Project: plediii/coord_util

    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)

Example #2

File: gnat.py Project: plediii/coord_util

 def dist(self, x, y):
     return coord_math.rmsd(x, y)

Example #3

 def dist(self, x, y):
     self.counter += 1
     return coord_math.rmsd(x, y)