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#!/usr/bin/python3
"""Check the output of each example for validity against the PDBx
and IHM dictionaries.
This should be periodically rechecked in case the PDBx and IHM dictionaries
are updated.
"""
import sys
import os
import subprocess
import ihm.dictionary
import urllib.request
with urllib.request.urlopen(
'http://mmcif.wwpdb.org/dictionaries/ascii/mmcif_pdbx_v50.dic') as fh:
d_pdbx = ihm.dictionary.read(fh)
with urllib.request.urlopen(
'http://mmcif.wwpdb.org/dictionaries/ascii/mmcif_ihm.dic') as fh:
d_ihm = ihm.dictionary.read(fh)
pdbx_ihm = d_pdbx + d_ihm
for script in ('simple-docking.py', 'ligands_water.py',
'non_standard_residues.py'):
print(script)
subprocess.check_call([sys.executable, '../examples/' + script])
with open('output.cif') as fh:
try:
pdbx_ihm.validate(fh)
except ihm.dictionary.ValidatorError as exc:
print(exc)
os.unlink('output.cif')
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