def test_atoms_distance_pbc(self): dist = s.atoms_distance(self.cell, 2, 18) self.assertAlmostEqual(dist, 1.867066, 5)
def test_atoms_distance_proj(self): """Test the atoms_distance method with a projection.""" dist = s.atoms_distance(self.cell, 24, 9, "xy") self.assertAlmostEqual(dist, 1.51230705052)
def test_atoms_distance_proj2(self): """Test the atoms_distance method with a projection defined by vector.""" dist = s.atoms_distance(self.cell, 9, 24, (0,0,10)) self.assertAlmostEqual(dist, 1.16373136)
def test_atoms_distance(self): """Test the atoms_distance method.""" dist = s.atoms_distance(self.cell, 9, 24) self.assertAlmostEqual(dist, 1.90823040889809)
def test_atoms_distance_proj2(self): """Test the atoms_distance method with a projection defined by vector.""" dist = s.atoms_distance(self.cell, 9, 24, (0, 0, 10)) self.assertAlmostEqual(dist, 1.16373136)