Coverage for /builds/kinetik161/ase/ase/cli/ulm.py: 58.82%

1# Note: 

2# Try to avoid module level import statements here to reduce 

3# import time during CLI execution 

4 

5 

6class CLICommand: 

7 """Manipulate/show content of ulm-file. 

8 

9 The ULM file format is used for ASE's trajectory files, 

10 for GPAW's gpw-files and other things. 

11 

12 Example (show first image of a trajectory file): 

13 

14 ase ulm abc.traj -n 0 -v 

15 """ 

16 

17 @staticmethod 

18 def add_arguments(parser): 

19 add = parser.add_argument 

20 add('filename', help='Name of ULM-file.') 

21 add('-n', '--index', type=int, 

22 help='Show only one index. Default is to show all.') 

23 add('-d', '--delete', metavar='key1,key2,...', 

24 help='Remove key(s) from ULM-file.') 

25 add('-v', '--verbose', action='store_true', help='More output.') 

26 

27 @staticmethod 

28 def run(args): 

29 import os 

30 

31 from ase.io.ulm import copy, print_ulm_info 

32 

33 if args.delete: 

34 exclude = {'.' + key for key in args.delete.split(',')} 

35 copy(args.filename, args.filename + '.temp', exclude) 

36 os.rename(args.filename + '.temp', args.filename) 

37 else: 

38 print_ulm_info(args.filename, args.index, verbose=args.verbose)