def update(self,
id,
atoms=None,
delete_keys=[],
data=None,
**add_key_value_pairs):
"""Update and/or delete key-value pairs of row(s).
id: int
ID of row to update.
atoms: Atoms object
Optionally update the Atoms data (positions, cell, ...).
data: dict
Data dict to be added to the existing data.
delete_keys: list of str
Keys to remove.
Use keyword arguments to add new key-value pairs.
Returns number of key-value pairs added and removed.
"""
if not isinstance(id, numbers.Integral):
if isinstance(id, list):
err = ('First argument must be an int and not a list.\n'
'Do something like this instead:\n\n'
'with db:\n'
' for id in ids:\n'
' db.update(id, ...)')
raise ValueError(err)
raise TypeError('id must be an int')
check(add_key_value_pairs)
row = self._get_row(id)
kvp = row.key_value_pairs
n = len(kvp)
for key in delete_keys:
kvp.pop(key, None)
n -= len(kvp)
m = -len(kvp)
kvp.update(add_key_value_pairs)
m += len(kvp)
moredata = data
data = row.get('data', {})
if moredata:
data.update(moredata)
if not data:
data = None
if atoms:
oldrow = row
row = AtomsRow(atoms)
# Copy over data, kvp, ctime, user and id
row._data = oldrow._data
row.__dict__.update(kvp)
row._keys = list(kvp)
row.ctime = oldrow.ctime
row.user = oldrow.user
row.id = id
if atoms or os.path.splitext(self.filename)[1] == '.json':
self._write(row, kvp, data, row.id)
else:
self._update(row.id, kvp, data)
return m, n
