File: hello.py

package info (click to toggle)
gemmi 0.6.5%2Bds-3
  • links: PTS, VCS
  • area: main
  • in suites: trixie
  • size: 5,836 kB
  • sloc: cpp: 54,719; python: 4,743; ansic: 3,972; sh: 384; makefile: 73; f90: 42; javascript: 12
file content (16 lines) | stat: -rwxr-xr-x 503 bytes parent folder | download | duplicates (2) 
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
 
#!/usr/bin/env python
import sys
from gemmi import cif

greeted = set()
for path in sys.argv[1:]:
    try:
        doc = cif.read_file(path)  # copy all the data from mmCIF file
        block = doc.sole_block()  # mmCIF has exactly one block
        for element in block.find_loop("_atom_site.type_symbol"):
            if element not in greeted:
                print("Hello " + element)
                greeted.add(element)
    except Exception as e:
        print("Oops. %s" % e)
        sys.exit(1)