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# Source code for ase.io.db

    import ase.db
    from ase.utils import basestring
    from ase.io.formats import string2index

    def read_db(filename, index, **kwargs):
        db = ase.db.connect(filename, serial=True, **kwargs)

        if isinstance(index, basestring):
            try:
                index = string2index(index)
            except ValueError:
                pass

        if isinstance(index, int):
            index = slice(index, index + 1 or None)

        if isinstance(index, basestring):
            # index is a database query string:
            for row in db.select(index):
                yield row.toatoms()
        else:
            start, stop, step = index.indices(db.count())
            if start == stop:
                return
            assert step == 1
            for row in db.select(offset=start, limit=stop - start):
                yield row.toatoms()

    def write_db(filename, images, append=False, **kwargs):
        con = ase.db.connect(filename, serial=True, append=append, **kwargs)
        for atoms in images:
            con.write(atoms)

    read_json = read_db
    write_json = write_db
    read_postgresql = read_db
    write_postgresql = write_db
    read_mysql = read_db
    write_mysql = write_db

Documentation v: 3.19.0

Versions
  3.20.0b1 (development)
  3.19.0 (latest stable)