/usr/share/pyshared/ase/io/ascii.py is in python-ase 3.6.0.2515-1.
This file is owned by root:root, with mode 0o644.
The actual contents of the file can be viewed below.
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 | from ase.atoms import Atoms
def write_ascii(fileobj, images):
if isinstance(fileobj, str):
fileobj = open(fileobj, 'w')
if not isinstance(images, (list, tuple)):
images = [images]
fileobj.write('atoms = ')
else:
fileobj.write('images = [')
symbols = images[0].get_chemical_symbols()
natoms = len(symbols)
for atoms in images:
fileobj.write('%d\n\n' % natoms)
for s, (x, y, z) in zip(symbols, atoms.get_positions()):
fileobj.write('%-2s %22.15f %22.15f %22.15f\n' % (s, x, y, z))
|