Coverage for gpaw/test/fileio/test_ascii_art.py: 100%

1from ase import Atoms 

2from gpaw.output import plot 

3 

4 

5def test_ascii_art(): 

6 """Left-handed cell. 

7 

8 https://listserv.fysik.dtu.dk/pipermail/gpaw-users/2021-January/006416.html 

9 """ 

10 atoms = Atoms('OCOOLiLiOCOOLiLi', 

11 cell=[[5.13498110527, 0.0, 0.0], [0.0, -3.45897297536, 0.0], 

12 [0.0, 0.0, 9.2392788066]], 

13 positions=[[1.953948519928, 0.0, 0.221181997402], 

14 [2.601709243681, 0.0, 1.347130855356], 

15 [3.910323049787, 0.0, 1.371393448854], 

16 [1.969296828916, 0.0, 2.522605893448], 

17 [0.028583840044, 0.0, 2.90092366278], 

18 [2.56749055263, -1.72948648768, 4.398457405883], 

19 [4.521439072558, -1.72948648768, 4.840821400721], 

20 [0.03421869104, -1.72948648768, 5.966770258642], 

21 [1.342832497147, -1.72948648768, 5.991032852173], 

22 [4.536787381546, -1.72948648768, 7.142245296767], 

23 [2.596074392674, -1.72948648768, 7.520563066099], 

24 [-0.00000000001, 0.0, 9.018096809202]], 

25 pbc=True) 

26 print(plot(atoms))