aiida.backends.djsite package

Submodules

Functions to manage the global settings stored in the DB (in the DbSettings table.

aiida.backends.djsite.globalsettings.del_global_setting(key)[source]

Return the value of the given setting, or raise a KeyError if the setting is not present in the DB.

Raises:KeyError – if the setting does not exist in the DB
aiida.backends.djsite.globalsettings.get_global_setting(key)[source]

Return the value of the given setting, or raise a KeyError if the setting is not present in the DB.

Raises:KeyError – if the setting does not exist in the DB
aiida.backends.djsite.globalsettings.get_global_setting_description(key)[source]

Return the description for the given setting variable, as stored in the DB, or raise a KeyError if the setting is not present in the DB or the table doesn’t exist..

aiida.backends.djsite.globalsettings.set_global_setting(key, value, description=None)[source]

Set a global setting in the DbSetting table (therefore, stored at the DB level).

aiida.backends.djsite.globalsettings.table_check_test()[source]

Checks if the db_setting table exists in the database. If it doesn’t exist it rainses a KeyError.

class aiida.backends.djsite.queries.DjangoQueryManager(backend)[source]

Bases: aiida.backends.general.abstractqueries.AbstractQueryManager

__abstractmethods__ = frozenset([])
__init__(backend)[source]
Parameters:backend (aiida.orm.implementation.sql.SqlBackend) – The AiiDA backend
__module__ = 'aiida.backends.djsite.queries'
_abc_cache = <_weakrefset.WeakSet object>
_abc_negative_cache = <_weakrefset.WeakSet object>
_abc_negative_cache_version = 40
_abc_registry = <_weakrefset.WeakSet object>
get_bands_and_parents_structure(args)[source]

Returns bands and closest parent structure

get_creation_statistics(user_pk=None)[source]

Return a dictionary with the statistics of node creation, summarized by day, optimized for the Django backend.

Note:Days when no nodes were created are not present in the returned ctime_by_day dictionary.
Parameters:user_pk – If None (default), return statistics for all users. If user pk is specified, return only the statistics for the given user.
Returns:a dictionary as follows:
{
   "total": TOTAL_NUM_OF_NODES,
   "types": {TYPESTRING1: count, TYPESTRING2: count, ...},
   "ctime_by_day": {'YYYY-MMM-DD': count, ...}

where in ctime_by_day the key is a string in the format ‘YYYY-MM-DD’ and the value is an integer with the number of nodes created that day.
query_group(q_object, args)[source]

Subselect to filter data nodes by their group.

Parameters:
  • q_object – a query object
  • args – a namespace with parsed command line parameters.
query_past_days(q_object, args)[source]

Subselect to filter data nodes by their age.

Parameters:
  • q_object – a query object
  • args – a namespace with parsed command line parameters.
aiida.backends.djsite.queries.get_closest_parents(pks, *args, **kwargs)[source]

Get the closest parents dbnodes of a set of nodes.

Parameters:
  • pks – one pk or an iterable of pks of nodes
  • chunk_size – we chunk the pks into groups of this size, to optimize the speed (default=50)
  • print_progress – print the the progression if True (default=False).
  • args – additional query parameters
  • kwargs – additional query parameters
Returns:

a dictionary of the form pk1: pk of closest parent of node with pk1, pk2: pk of closest parent of node with pk2

Note

It works also if pks is a list of nodes rather than their pks

Todo

find a way to always get a parent (when there is one) from each pk. Now, when the same parent has several children in pks, only one of them is kept. This is a BUG, related to the use of a dictionary (children_dict, see below…). For now a work around is to use chunk_size=1.

This modules contains a number of utility functions specific to the Django backend.

aiida.backends.djsite.utils._load_dbenv_noschemacheck(profile)[source]

Load the database environment (Django) WITHOUT CHECKING THE SCHEMA VERSION.

Parameters:profile – the string with the profile to use. If not specified, use the default one specified in the AiiDA configuration file.

This should ONLY be used internally, inside load_dbenv, and for schema migrations. DO NOT USE OTHERWISE!

aiida.backends.djsite.utils.check_schema_version(profile_name=None)[source]

Check if the version stored in the database is the same of the version of the code.

Note:if the DbSetting table does not exist, this function does not fail. The reason is to avoid to have problems before running the first migrate call.
Note:if no version is found, the version is set to the version of the code. This is useful to have the code automatically set the DB version at the first code execution.
Raises:aiida.common.ConfigurationError – if the two schema versions do not match. Otherwise, just return.
aiida.backends.djsite.utils.delete_nodes_and_connections_django(pks_to_delete)[source]

Delete all nodes corresponding to pks in the input. :param pks_to_delete: A list, tuple or set of pks that should be deleted.

aiida.backends.djsite.utils.get_db_schema_version()[source]

Get the current schema version stored in the DB. Return None if it is not stored.

aiida.backends.djsite.utils.load_dbenv(profile=None)[source]

Load the database environment (Django) and perform some checks.

Parameters:profile – the string with the profile to use. If not specified, use the default one specified in the AiiDA configuration file.
aiida.backends.djsite.utils.migrate_database()[source]

Migrate the database to the latest schema version.

aiida.backends.djsite.utils.set_db_schema_version(version)[source]

Set the schema version stored in the DB. Use only if you know what you are doing.