# -*- coding: utf-8 -*-
###########################################################################
# Copyright (c), The AiiDA team. All rights reserved. #
# This file is part of the AiiDA code. #
# #
# The code is hosted on GitHub at https://github.com/aiidateam/aiida-core #
# For further information on the license, see the LICENSE.txt file #
# For further information please visit http://www.aiida.net #
###########################################################################
""" AiiDA Group entites"""
from abc import ABCMeta
from enum import Enum
import warnings
from aiida.common import exceptions
from aiida.common.lang import type_check
from aiida.common.warnings import AiidaDeprecationWarning
from aiida.manage.manager import get_manager
from . import convert
from . import entities
from . import users
__all__ = ('Group', 'GroupTypeString', 'AutoGroup', 'ImportGroup', 'UpfFamily')
def load_group_class(type_string):
"""Load the sub class of `Group` that corresponds to the given `type_string`.
.. note:: will fall back on `aiida.orm.groups.Group` if `type_string` cannot be resolved to loadable entry point.
:param type_string: the entry point name of the `Group` sub class
:return: sub class of `Group` registered through an entry point
"""
from aiida.common.exceptions import EntryPointError
from aiida.plugins.entry_point import load_entry_point
try:
group_class = load_entry_point('aiida.groups', type_string)
except EntryPointError:
message = 'could not load entry point `{}`, falling back onto `Group` base class.'.format(type_string)
warnings.warn(message) # pylint: disable=no-member
group_class = Group
return group_class
class GroupMeta(ABCMeta):
"""Meta class for `aiida.orm.groups.Group` to automatically set the `type_string` attribute."""
def __new__(mcs, name, bases, namespace, **kwargs):
from aiida.plugins.entry_point import get_entry_point_from_class
newcls = ABCMeta.__new__(mcs, name, bases, namespace, **kwargs) # pylint: disable=too-many-function-args
entry_point_group, entry_point = get_entry_point_from_class(namespace['__module__'], name)
if entry_point_group is None or entry_point_group != 'aiida.groups':
newcls._type_string = None
message = 'no registered entry point for `{}` so its instances will not be storable.'.format(name)
warnings.warn(message) # pylint: disable=no-member
else:
newcls._type_string = entry_point.name # pylint: disable=protected-access
return newcls
[docs]class GroupTypeString(Enum):
"""A simple enum of allowed group type strings.
.. deprecated:: 1.2.0
This enum is deprecated and will be removed in `v2.0.0`.
"""
UPFGROUP_TYPE = 'data.upf'
IMPORTGROUP_TYPE = 'auto.import'
VERDIAUTOGROUP_TYPE = 'auto.run'
USER = 'user'
[docs]class Group(entities.Entity, metaclass=GroupMeta):
"""An AiiDA ORM implementation of group of nodes."""
[docs] class Collection(entities.Collection):
"""Collection of Groups"""
[docs] def get_or_create(self, label=None, **kwargs):
"""
Try to retrieve a group from the DB with the given arguments;
create (and store) a new group if such a group was not present yet.
:param label: group label
:type label: str
:return: (group, created) where group is the group (new or existing,
in any case already stored) and created is a boolean saying
:rtype: (:class:`aiida.orm.Group`, bool)
"""
if not label:
raise ValueError('Group label must be provided')
res = self.find(filters={'label': label})
if not res:
return self.entity_type(label, backend=self.backend, **kwargs).store(), True
if len(res) > 1:
raise exceptions.MultipleObjectsError('More than one groups found in the database')
return res[0], False
[docs] def delete(self, id): # pylint: disable=invalid-name, redefined-builtin
"""
Delete a group
:param id: the id of the group to delete
"""
self._backend.groups.delete(id)
[docs] def __init__(self, label=None, user=None, description='', type_string=None, backend=None):
"""
Create a new group. Either pass a dbgroup parameter, to reload
a group from the DB (and then, no further parameters are allowed),
or pass the parameters for the Group creation.
.. deprecated:: 1.2.0
The parameter `type_string` will be removed in `v2.0.0` and is now determined automatically.
:param label: The group label, required on creation
:type label: str
:param description: The group description (by default, an empty string)
:type description: str
:param user: The owner of the group (by default, the automatic user)
:type user: :class:`aiida.orm.User`
:param type_string: a string identifying the type of group (by default,
an empty string, indicating an user-defined group.
:type type_string: str
"""
if not label:
raise ValueError('Group label must be provided')
if type_string is not None:
message = '`type_string` is deprecated because it is determined automatically'
warnings.warn(message) # pylint: disable=no-member
# If `type_string` is explicitly defined, override automatically determined `self._type_string`. This is
# necessary for backwards compatibility.
if type_string is not None:
self._type_string = type_string
type_string = self._type_string
backend = backend or get_manager().get_backend()
user = user or users.User.objects(backend).get_default()
type_check(user, users.User)
model = backend.groups.create(
label=label, user=user.backend_entity, description=description, type_string=type_string
)
super().__init__(model)
[docs] def __repr__(self):
return '<{}: {}>'.format(self.__class__.__name__, str(self))
[docs] def __str__(self):
if self.type_string:
return '"{}" [type {}], of user {}'.format(self.label, self.type_string, self.user.email)
return '"{}" [user-defined], of user {}'.format(self.label, self.user.email)
[docs] def store(self):
"""Verify that the group is allowed to be stored, which is the case along as `type_string` is set."""
if self._type_string is None:
raise exceptions.StoringNotAllowed('`type_string` is `None` so the group cannot be stored.')
return super().store()
@property
def label(self):
"""
:return: the label of the group as a string
"""
return self._backend_entity.label
@label.setter
def label(self, label):
"""
Attempt to change the label of the group instance. If the group is already stored
and the another group of the same type already exists with the desired label, a
UniquenessError will be raised
:param label: the new group label
:type label: str
:raises aiida.common.UniquenessError: if another group of same type and label already exists
"""
self._backend_entity.label = label
@property
def description(self):
"""
:return: the description of the group as a string
:rtype: str
"""
return self._backend_entity.description
@description.setter
def description(self, description):
"""
:param description: the description of the group as a string
:type description: str
"""
self._backend_entity.description = description
@property
def type_string(self):
"""
:return: the string defining the type of the group
"""
return self._backend_entity.type_string
@property
def user(self):
"""
:return: the user associated with this group
"""
return users.User.from_backend_entity(self._backend_entity.user)
@user.setter
def user(self, user):
"""Set the user.
:param user: the user
:type user: :class:`aiida.orm.User`
"""
type_check(user, users.User)
self._backend_entity.user = user.backend_entity
@property
def uuid(self):
"""
:return: a string with the uuid
:rtype: str
"""
return self._backend_entity.uuid
[docs] def count(self):
"""Return the number of entities in this group.
:return: integer number of entities contained within the group
:rtype: int
"""
return self._backend_entity.count()
@property
def nodes(self):
"""
Return a generator/iterator that iterates over all nodes and returns
the respective AiiDA subclasses of Node, and also allows to ask for
the number of nodes in the group using len().
:rtype: :class:`aiida.orm.convert.ConvertIterator`
"""
return convert.ConvertIterator(self._backend_entity.nodes)
@property
def is_empty(self):
"""Return whether the group is empty, i.e. it does not contain any nodes.
:return: True if it contains no nodes, False otherwise
:rtype: bool
"""
try:
self.nodes[0]
except IndexError:
return True
else:
return False
[docs] def clear(self):
"""Remove all the nodes from this group."""
return self._backend_entity.clear()
[docs] def add_nodes(self, nodes):
"""Add a node or a set of nodes to the group.
:note: all the nodes *and* the group itself have to be stored.
:param nodes: a single `Node` or a list of `Nodes`
:type nodes: :class:`aiida.orm.Node` or list
"""
from .nodes import Node
if not self.is_stored:
raise exceptions.ModificationNotAllowed('cannot add nodes to an unstored group')
# Cannot use `collections.Iterable` here, because that would also match iterable `Node` sub classes like `List`
if not isinstance(nodes, (list, tuple)):
nodes = [nodes]
for node in nodes:
type_check(node, Node)
self._backend_entity.add_nodes([node.backend_entity for node in nodes])
[docs] def remove_nodes(self, nodes):
"""Remove a node or a set of nodes to the group.
:note: all the nodes *and* the group itself have to be stored.
:param nodes: a single `Node` or a list of `Nodes`
:type nodes: :class:`aiida.orm.Node` or list
"""
from .nodes import Node
if not self.is_stored:
raise exceptions.ModificationNotAllowed('cannot add nodes to an unstored group')
# Cannot use `collections.Iterable` here, because that would also match iterable `Node` sub classes like `List`
if not isinstance(nodes, (list, tuple)):
nodes = [nodes]
for node in nodes:
type_check(node, Node)
self._backend_entity.remove_nodes([node.backend_entity for node in nodes])
[docs] @classmethod
def get(cls, **kwargs):
"""
Custom get for group which can be used to get a group with the given attributes
:param kwargs: the attributes to match the group to
:return: the group
:type nodes: :class:`aiida.orm.Node` or list
"""
from aiida.orm import QueryBuilder
filters = {}
if 'type_string' in kwargs:
type_check(kwargs['type_string'], str)
query = QueryBuilder()
for key, val in kwargs.items():
filters[key] = val
query.append(cls, filters=filters)
results = query.all()
if len(results) > 1:
raise exceptions.MultipleObjectsError("Found {} groups matching criteria '{}'".format(len(results), kwargs))
if not results:
raise exceptions.NotExistent("No group found matching criteria '{}'".format(kwargs))
return results[0][0]
[docs] def is_user_defined(self):
"""
:return: True if the group is user defined, False otherwise
:rtype: bool
"""
return not self.type_string
[docs] @staticmethod
def get_schema():
"""
Every node property contains:
- display_name: display name of the property
- help text: short help text of the property
- is_foreign_key: is the property foreign key to other type of the node
- type: type of the property. e.g. str, dict, int
:return: schema of the group
:rtype: dict
.. deprecated:: 1.0.0
Will be removed in `v2.0.0`.
Use :meth:`~aiida.restapi.translator.base.BaseTranslator.get_projectable_properties` instead.
"""
message = 'method is deprecated, use' \
'`aiida.restapi.translator.base.BaseTranslator.get_projectable_properties` instead'
warnings.warn(message, AiidaDeprecationWarning) # pylint: disable=no-member
return {
'description': {
'display_name': 'Description',
'help_text': 'Short description of the group',
'is_foreign_key': False,
'type': 'str'
},
'id': {
'display_name': 'Id',
'help_text': 'Id of the object',
'is_foreign_key': False,
'type': 'int'
},
'label': {
'display_name': 'Label',
'help_text': 'Name of the object',
'is_foreign_key': False,
'type': 'str'
},
'type_string': {
'display_name': 'Type_string',
'help_text': 'Type of the group',
'is_foreign_key': False,
'type': 'str'
},
'user_id': {
'display_name': 'Id of creator',
'help_text': 'Id of the user that created the node',
'is_foreign_key': True,
'related_column': 'id',
'related_resource': '_dbusers',
'type': 'int'
},
'uuid': {
'display_name': 'Unique ID',
'help_text': 'Universally Unique Identifier',
'is_foreign_key': False,
'type': 'unicode'
}
}
[docs]class AutoGroup(Group):
"""Group to be used to contain selected nodes generated while `aiida.orm.autogroup.CURRENT_AUTOGROUP` is set."""
[docs]class ImportGroup(Group):
"""Group to be used to contain all nodes from an export archive that has been imported."""
[docs]class UpfFamily(Group):
"""Group that represents a pseudo potential family containing `UpfData` nodes."""