Orm design refactor

.ci/test_plugin_testcase.py

@@ -57,25 +57,28 @@ def get_computer(cls, temp_dir):
         """
         Create and store a new computer, and return it
         """
-        computer = cls.backend.computers.create(
+        from aiida import orm
+
+        computer = orm.Computer(
             name='localhost',
             hostname='localhost',
             description='my computer',
             transport_type='local',
             scheduler_type='direct',
             workdir=temp_dir,
-            enabled_state=True)
-        computer.store()
+            enabled_state=True,
+            backend=cls.backend).store()
         return computer
 
     def test_data_loaded(self):
         """
         Check that the data is indeed in the DB when calling load_node
         """
-        from aiida.orm.utils import load_node
+        from aiida import orm
+
         self.assertTrue(is_dbenv_loaded())
-        self.assertEqual(load_node(self.data_pk).uuid, self.data.uuid)
-        self.assertEqual(self.backend.computers.get(name='localhost').uuid, self.computer.uuid)
+        self.assertEqual(orm.load_node(self.data_pk).uuid, self.data.uuid)
+        self.assertEqual(orm.Computer.objects(self.backend).get(name='localhost').uuid, self.computer.uuid)
 
     def test_tear_down(self):
         """

.pre-commit-config.yaml

@@ -42,14 +42,11 @@
         aiida/backends/djsite/__init__.py|
         aiida/backends/djsite/manage.py|
         aiida/backends/djsite/queries.py|
-        aiida/backends/djsite/querybuilder_django/dummy_model.py|
-        aiida/backends/djsite/querybuilder_django/querybuilder_django.py|
         aiida/backends/djsite/settings/__init__.py|
         aiida/backends/djsite/settings/settings_profile.py|
         aiida/backends/djsite/settings/settings.py|
         aiida/backends/djsite/settings/wsgi.py|
         aiida/backends/general/abstractqueries.py|
-        aiida/backends/general/querybuilder_interface.py|
         aiida/backends/__init__.py|
         aiida/backends/profile.py|
         aiida/backends/settings.py|
@@ -83,7 +80,6 @@
         aiida/backends/sqlalchemy/models/utils.py|
         aiida/backends/sqlalchemy/models/workflow.py|
         aiida/backends/sqlalchemy/queries.py|
-        aiida/backends/sqlalchemy/querybuilder_sqla.py|
         aiida/backends/sqlalchemy/tests/generic.py|
         aiida/backends/sqlalchemy/tests/__init__.py|
         aiida/backends/sqlalchemy/tests/migrations.py|
@@ -207,6 +203,7 @@
         aiida/orm/authinfo.py|
         aiida/orm/autogroup.py|
         aiida/orm/backend.py|
+        aiida/orm/querybuilder.py|
         aiida/orm/calculation/function.py|
         aiida/orm/calculation/__init__.py|
         aiida/orm/calculation/inline.py|
@@ -284,11 +281,11 @@
         aiida/orm/implementation/sqlalchemy/user.py|
         aiida/orm/implementation/sqlalchemy/utils.py|
         aiida/orm/implementation/sqlalchemy/workflow.py|
-        aiida/orm/importexport.py|
         aiida/orm/__init__.py|
+        aiida/orm/importexport.py|
+        aiida/orm/log.py|
         aiida/orm/mixins.py|
         aiida/orm/node.py|
-        aiida/orm/querybuilder.py|
         aiida/orm/utils/__init__.py|
         aiida/orm/utils/loaders.py|
         aiida/orm/utils/remote.py|
@@ -356,7 +353,6 @@
         aiida/utils/cli/options.py|
         aiida/utils/cli/validators.py|
         aiida/utils/delete_nodes.py|
-        aiida/utils/email.py|
         aiida/utils/error_accumulator.py|
         aiida/utils/find_folder.py|
         aiida/utils/__init__.py|

aiida/backends/djsite/db/models.py

@@ -105,7 +105,7 @@ class DbUser(AbstractBaseUser, PermissionsMixin):
 
     def get_aiida_class(self):
         from aiida.orm.implementation.django.user import DjangoUser
-        from aiida.orm.backend import construct_backend
+        from aiida.orm.backends import construct_backend
         return DjangoUser.from_dbmodel(self, construct_backend())
 
 
@@ -1399,7 +1399,7 @@ def get_dbcomputer(cls, computer):
 
     def get_aiida_class(self):
         from aiida.orm.implementation.django.computer import DjangoComputer
-        from aiida.orm.backend import construct_backend
+        from aiida.orm.backends import construct_backend
         return DjangoComputer.from_dbmodel(self, construct_backend())
 
     def _get_val_from_metadata(self, key):
@@ -1415,15 +1415,6 @@ def _get_val_from_metadata(self, key):
         except KeyError:
             raise ConfigurationError('No {} found for DbComputer {} '.format(key, self.name))
 
-    def get_workdir(self):
-        return self._get_val_from_metadata('workdir')
-
-    def get_shebang(self):
-        """
-        Return the shebang line
-        """
-        return self._get_val_from_metadata('shebang')
-
     def __str__(self):
         if self.enabled:
             return "{} ({})".format(self.name, self.hostname)
@@ -1459,6 +1450,12 @@ def __str__(self):
         else:
             return "DB authorization info for {} on {} [DISABLED]".format(self.aiidauser.email, self.dbcomputer.name)
 
+    def get_aiida_class(self):
+        from aiida.orm.implementation.django.authinfo import DjangoAuthInfo
+        from aiida.orm.backends import construct_backend
+        return DjangoAuthInfo.from_dbmodel(self, construct_backend())
+
+
 
 @python_2_unicode_compatible
 class DbComment(m.Model):

aiida/backends/djsite/db/subtests/generic.py

@@ -17,6 +17,7 @@
 from aiida.backends.testbase import AiidaTestCase
 from aiida.common import exceptions
 from aiida.orm.node import Node
+from aiida import orm
 
 
 class TestComputer(AiidaTestCase):
@@ -28,9 +29,9 @@ def test_deletion(self):
         from aiida.orm import JobCalculation
         from aiida.common.exceptions import InvalidOperation
 
-        newcomputer = self.backend.computers.create(name="testdeletioncomputer", hostname='localhost',
-                                                    transport_type='local', scheduler_type='pbspro',
-                                                    workdir='/tmp/aiida').store()
+        newcomputer = orm.Computer(name="testdeletioncomputer", hostname='localhost',
+                                   transport_type='local', scheduler_type='pbspro',
+                                   workdir='/tmp/aiida').store()
 
         # # This should be possible, because nothing is using this computer
         self.backend.computers.delete(newcomputer.id)
@@ -75,7 +76,7 @@ def test_query(self):
         g1.add_nodes([n1, n2])
         g2.add_nodes([n1, n3])
 
-        newuser = self.backend.users.create(email='test@email.xx')
+        newuser = orm.User(email='test@email.xx')
         g3 = Group(name='testquery3', user=newuser).store()
 
         # I should find it
@@ -109,7 +110,8 @@ def test_query(self):
         res = Group.query(user=newuser.email)
         self.assertEquals(set(_.pk for _ in res), set(_.pk for _ in [g3]))
 
-        res = Group.query(user=self.backend.users.get_automatic_user())
+        default_user = orm.User.objects(self.backend).get_default()
+        res = Group.query(user=default_user.backend_entity)
         self.assertEquals(set(_.pk for _ in res), set(_.pk for _ in [g1, g2]))
 
     def test_rename_existing(self):

aiida/backends/djsite/db/subtests/query.py

@@ -19,13 +19,13 @@ def test_clsf_django(self):
         """
         This tests the classifications of the QueryBuilder u. the django backend.
         """
-        from aiida.backends.djsite.querybuilder_django.dummy_model import (
+        from aiida.orm.implementation.django.dummy_model import (
             DbNode, DbUser, DbComputer,
             DbGroup,
         )
         from aiida.orm.querybuilder import QueryBuilder
         from aiida.orm.data.structure import StructureData
-        from aiida.orm import Group, Node, Computer, Data, Calculation
+        from aiida.orm import Group, Node, Computer, Data
         from aiida.common.exceptions import InputValidationError
         qb = QueryBuilder()
 

aiida/backends/djsite/db/testbase.py

@@ -52,7 +52,7 @@ def insert_data(self):
         """
         Insert default data into the DB.
         """
-        from django.core.exceptions import ObjectDoesNotExist
+        from django.core.exceptions import ObjectDoesNotExist  # pylint: disable=import-error, no-name-in-module
 
         from aiida.backends.djsite.db.models import DbUser
         from aiida.common.utils import get_configured_user_email

aiida/backends/djsite/queries.py

@@ -129,7 +129,7 @@ def get_creation_statistics(
             an integer with the number of nodes created that day.
         """
         import sqlalchemy as sa
-        from aiida.backends.djsite.querybuilder_django import dummy_model
+        from aiida.orm.implementation.django import dummy_model
 
         # Get the session (uses internally aldjemy - so, sqlalchemy) also for the Djsite backend
         s = dummy_model.get_aldjemy_session()
@@ -201,16 +201,16 @@ def get_bands_and_parents_structure(self, args):
         from django.db.models import Q
         from aiida.common.utils import grouper
         from aiida.backends.djsite.db import models
-        from aiida.orm.backend import construct_backend
         from aiida.orm.data.structure import (get_formula, get_symbols_string)
         from aiida.orm.data.array.bands import BandsData
+        from aiida import orm
 
-        backend = construct_backend()
+        user = orm.User.objects.get_default()
 
         query_group_size = 100
         q_object = None
         if args.all_users is False:
-            q_object = Q(user__id=backend.users.get_automatic_user().id)
+            q_object = Q(user__id=user.id)
         else:
             q_object = Q()
 

aiida/backends/djsite/utils.py

@@ -19,6 +19,8 @@
 import django
 from aiida.common.log import get_dblogger_extra
 
+# pylint: disable=no-name-in-module, no-member, import-error
+
 
 def load_dbenv(profile=None):
     """

aiida/backends/general/abstractqueries.py

@@ -20,7 +20,7 @@ class AbstractQueryManager(object):
     def __init__(self, backend):
         """
         :param backend: The AiiDA backend
-        :type backend: :class:`aiida.orm.Backend`
+        :type backend: :class:`aiida.orm.implementation.backends.Backend`
         """
         self._backend = backend
 
@@ -81,7 +81,7 @@ def query_jobcalculations_by_computer_user_state(
         """
         # I assume that calc_states are strings. If this changes in the future,
         # update the filter below from dbattributes__tval to the correct field.
-        from aiida.orm.computer import Computer
+        from aiida.orm.computers import Computer
         from aiida.orm.calculation.job import JobCalculation
         from aiida.orm.querybuilder import QueryBuilder
         from aiida.common.exceptions import InputValidationError
@@ -234,17 +234,14 @@ def get_bands_and_parents_structure(self, args):
         from aiida.orm.data.structure import (get_formula, get_symbols_string)
         from aiida.orm.data.array.bands import BandsData
         from aiida.orm.data.structure import StructureData
-        from aiida.orm.user import User
-        from aiida.orm.backend import construct_backend
-
-        backend = construct_backend()
+        from aiida import orm
 
         qb = QueryBuilder()
         if args.all_users is False:
-            user = backend.users.get_automatic_user()
-            qb.append(User, tag="creator", filters={"email": user.email})
+            user = orm.User.objects.get_default()
+            qb.append(orm.User, tag="creator", filters={"email": user.email})
         else:
-            qb.append(User, tag="creator")
+            qb.append(orm.User, tag="creator")
 
         bdata_filters = {}
         if args.past_days is not None:

aiida/backends/sqlalchemy/models/authinfo.py

@@ -52,3 +52,7 @@ def __str__(self):
             return "DB authorization info for {} on {}".format(self.aiidauser.email, self.dbcomputer.name)
         else:
             return "DB authorization info for {} on {} [DISABLED]".format(self.aiidauser.email, self.dbcomputer.name)
+
+    def get_aiida_class(self):
+        from aiida.orm.implementation.sqlalchemy.authinfo import SqlaAuthInfo
+        return SqlaAuthInfo.from_dbmodel(dbmodel=self)

aiida/backends/sqlalchemy/models/computer.py

@@ -51,7 +51,7 @@ def __init__(self, *args, **kwargs):
         self.transport_params = {}
         # TODO SP: it's supposed to be nullable, but there is a NOT NULL
         # constraint inside the DB.
-        self.description= ""
+        self.description = ""
 
         super(DbComputer, self).__init__(*args, **kwargs)
 
@@ -61,10 +61,10 @@ def get_dbcomputer(cls, computer):
         Return a DbComputer from its name (or from another Computer or DbComputer instance)
         """
 
-        from aiida.orm.computer import Computer
+        from aiida.orm.computers import Computer
         if isinstance(computer, six.string_types):
             try:
-                dbcomputer = cls.session.query(cls).filter(cls.name==computer).one()
+                dbcomputer = cls.session.query(cls).filter(cls.name == computer).one()
             except NoResultFound:
                 raise NotExistent("No computer found in the table of computers with "
                                   "the given name '{}'".format(computer))
@@ -73,7 +73,7 @@ def get_dbcomputer(cls, computer):
                                      "pass a Computer instance".format(computer))
         elif isinstance(computer, int):
             try:
-                dbcomputer = cls.session.query(cls).filter(cls.id==computer).one()
+                dbcomputer = cls.session.query(cls).filter(cls.id == computer).one()
             except NoResultFound:
                 raise NotExistent("No computer found in the table of computers with "
                                   "the given id '{}'".format(computer))
@@ -86,28 +86,15 @@ def get_dbcomputer(cls, computer):
                 raise ValueError("The computer instance you are passing has not been stored yet")
             dbcomputer = computer.dbcomputer
         else:
-            raise TypeError("Pass either a computer name, a DbComputer SQLAlchemy instance, a Computer id or a Computer object")
+            raise TypeError(
+                "Pass either a computer name, a DbComputer SQLAlchemy instance, a Computer id or a Computer object")
         return dbcomputer
 
     def get_aiida_class(self):
         from aiida.orm.implementation.sqlalchemy.backend import SqlaBackend
         backend = SqlaBackend()
         return backend.computers.from_dbmodel(self)
 
-    def get_workdir(self):
-        try:
-            return self._metadata['workdir']
-        except KeyError:
-            raise ConfigurationError('No workdir found for DbComputer {} '.format(
-                self.name))
-
-    def get_shebang(self):
-        try:
-            return self._metadata['shebang']
-        except KeyError:
-            raise ConfigurationError('No shebang found for DbComputer {} '.format(
-                self.name))
-
     @property
     def pk(self):
         return self.id

aiida/backends/sqlalchemy/models/user.py

@@ -50,5 +50,5 @@ def __str__(self):
 
     def get_aiida_class(self):
         from aiida.orm.implementation.sqlalchemy.user import SqlaUser
-        from aiida.orm.backend import construct_backend
+        from aiida.orm.backends import construct_backend
         return SqlaUser.from_dbmodel(self, construct_backend())