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'''
PYMOL-2638
Arbitrary identifier lengths
'''
from random import randint
from pymol import cmd, CmdException, testing, stored
def randhex(e=2):
return '%x' % randint(1, 10**randint(e, 10))
def next_decorator(iterable):
iterator = iter(iterable)
try:
return iterator.next
except AttributeError:
return iterator.__next__
class TestPYMOL2638(testing.PyMOLTestCase):
@testing.requires_version('1.8.1.0')
def test2638(self):
cmd.set('retain_order')
cmd.fragment('ala', 'm1')
n = cmd.count_atoms()
##
## Make long identifiers
##
chain = [randhex()] * n
resn = [randhex()] * n
resv = [randint(10**4, 10**6 - 1)] * n
names = [randhex(4) + str(i) for i in range(n)]
identif_str = '(chain, resn, resv, name)'
identifiers = list(zip(chain, resn, resv, names))
afterload = []
cmd.alter('m1', identif_str + ' = _next()',
space={'_next': next_decorator(identifiers)})
##
## Test if cif in/out preserves identifiers
##
with testing.mktemp('.cif') as filename:
cmd.save(filename, 'm1')
cmd.load(filename, 'm2')
cmd.iterate('m2', '_afterload.append(' + identif_str + ')',
space={'_afterload': afterload})
self.assertEqual(identifiers, afterload)
##
## Test if various formats preserve coordinates
##
coords = cmd.get_coordset('m1')
for ext in ['.pdb', '.xyz', '.mol2', '.sdf']:
cmd.delete('m2')
with testing.mktemp(ext) as filename:
cmd.save(filename, 'm1')
cmd.load(filename, 'm2')
self.assertArrayEqual(coords, cmd.get_coordset('m2'), delta=1e-3,
msg='not preserving coordinates: ' + ext)
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