def test_read_write_coords(self): top = p.read_topology(self.initial_pdb_file, name='pyp') p.write_coords('test.pdb', top, p.read_coords(self.initial_pdb_file)) for idx, (read_coords, expected_coords) in enumerate(zip(p.read_coords('test.pdb'), p.read_coords(self.initial_pdb_file))): self.assertEqual(list(expected_coords), list(read_coords))
def test_num_coords(self): num_in_file = sum(1 for coords in p.read_coords(self.pdb_file)) self.assertEqual(num_in_file, self.num_coords_in_file)
def test_read_coords(self): coords = p.read_coords(self.pdb_file).next() self.assertEqual(list(coords), list(self.expected_coords))