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import ase.db
def read_db(filename, index, **kwargs):
con = ase.db.connect(filename, serial=True, **kwargs)
if index == slice(-1, None):
yield con.get().toatoms()
else:
if index == slice(None, None, None):
index = None
elif isinstance(index, str) and index.isdigit():
index = int(index)
for row in con.select(index):
yield row.toatoms()
def write_db(filename, images, **kwargs):
con = ase.db.connect(filename, serial=True, **kwargs)
for atoms in images:
con.write(atoms)
read_json = read_db
write_json = write_db
read_postgresql = read_db
write_postgresql = write_db
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