comparison ob_filter.py @ 2:1b1e6531edc2 draft

planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit 78ac0521d7df684e96c1b9c1ba2a17b02e681608

1:3f6693e76b0b

    # To keep it readable in the xml file, many white-spaces are included in that string it needs to be removed.
    # Also the last loop creates a ',{' that is not an valid jason expression.
    filters = json.loads((args.filters).replace(' ', '').replace(',}', '}'))
    if args.iformat == 'sdf':
        # Check if the sdf file contains all of the required metadata to invoke the precalculation filtering
        mol = pybel.readfile('sdf', args.input).next()
        for key, elem in filters.items():
            property = cheminfolib.ColumnNames[key]
            if not property in mol.data:
                break
        else:

2:1b1e6531edc2

    # To keep it readable in the xml file, many white-spaces are included in that string it needs to be removed.
    # Also the last loop creates a ',{' that is not an valid jason expression.
    filters = json.loads((args.filters).replace(' ', '').replace(',}', '}'))
    if args.iformat == 'sdf':
        # Check if the sdf file contains all of the required metadata to invoke the precalculation filtering
        mol = next(pybel.readfile('sdf', args.input))
        for key, elem in filters.items():
            property = cheminfolib.ColumnNames[key]
            if not property in mol.data:
                break
        else: