pymatgen.io.abinit.db module

Objects and helper function used to store the results in a MongoDb database

class DBConnector(**kwargs)

Bases: object

classmethod autodoc()

deepcopy()

get_collection(**kwargs)

Establish a connection with the database.

Returns MongoDb collection

set_collection_name(value)

Set the name of the collection, return old value

mongo_getattr(rec, key)

Get value from dict using MongoDB dot-separated path semantics. For example:

>>> assert mongo_getattr({'a': {'b': 1}, 'x': 2}, 'a.b') == 1
>>> assert mongo_getattr({'a': {'b': 1}, 'x': 2}, 'x') == 2
>>> assert mongo_getattr({'a': {'b': 1}, 'x': 2}, 'a.b.c') is None

Parameters:

• rec – mongodb document
• key – path to mongo value
• default – default to return if not found

Returns:

value, potentially nested, or default if not found

Raise:

AttributeError, if record is not a dict or key is not found.

scan_nestdict(d, key)

Scan a nested dict d, and return the first value associated to the given key. Returns None if key is not found.

>>> d = {0: 1, 1: {"hello": {"world": {None: [1,2,3]}}}, "foo": [{"bar": 1}, {"color": "red"}]}
>>> assert scan_nestdict(d, 1) == {"hello": {"world": {None: [1,2,3]}}}
>>> assert scan_nestdict(d, "hello") == {"world": {None: [1,2,3]}}
>>> assert scan_nestdict(d, "world") == {None: [1,2,3]}
>>> assert scan_nestdict(d, None) == [1,2,3]
>>> assert scan_nestdict(d, "color") == "red"