aiida.backends.sqlalchemy.models package

Module to define the database models for the SqlAlchemy backend.

Submodules

Module to manage authentification information for the SQLA backend.

class aiida.backends.sqlalchemy.models.authinfo.DbAuthInfo(*args, **kwargs)[source]

Bases: sqlalchemy.ext.declarative.api.Model

Class that keeps the authernification data.

__init__(*args, **kwargs)

A simple constructor that allows initialization from kwargs.

Sets attributes on the constructed instance using the names and values in kwargs.

Only keys that are present as attributes of the instance’s class are allowed. These could be, for example, any mapped columns or relationships.

__mapper__ = <Mapper at 0x7fb1f1241e50; DbAuthInfo>
__module__ = 'aiida.backends.sqlalchemy.models.authinfo'
__str__()[source]

Return str(self).

__table__ = Table('db_dbauthinfo', MetaData(bind=None), Column('id', Integer(), table=<db_dbauthinfo>, primary_key=True, nullable=False), Column('aiidauser_id', Integer(), ForeignKey('db_dbuser.id'), table=<db_dbauthinfo>), Column('dbcomputer_id', Integer(), ForeignKey('db_dbcomputer.id'), table=<db_dbauthinfo>), Column('metadata', JSONB(astext_type=Text()), table=<db_dbauthinfo>), Column('auth_params', JSONB(astext_type=Text()), table=<db_dbauthinfo>), Column('enabled', Boolean(), table=<db_dbauthinfo>, default=ColumnDefault(True)), schema=None)
__table_args__ = (UniqueConstraint(Column('aiidauser_id', Integer(), ForeignKey('db_dbuser.id'), table=<db_dbauthinfo>), Column('dbcomputer_id', Integer(), ForeignKey('db_dbcomputer.id'), table=<db_dbauthinfo>)),)
__tablename__ = 'db_dbauthinfo'
_metadata
_sa_class_manager = {'_metadata': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'aiidauser': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'aiidauser_id': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'auth_params': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'dbcomputer': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'dbcomputer_id': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'enabled': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'id': <sqlalchemy.orm.attributes.InstrumentedAttribute object>}
aiidauser
aiidauser_id
auth_params
dbcomputer
dbcomputer_id
enabled
id

Base SQLAlchemy models.

class aiida.backends.sqlalchemy.models.base.Model[source]

Bases: object

Query model.

__dict__ = mappingproxy({'__module__': 'aiida.backends.sqlalchemy.models.base', '__doc__': 'Query model.', 'query': <aiida.backends.sqlalchemy.models.base._QueryProperty object>, 'session': <aiida.backends.sqlalchemy.models.base._SessionProperty object>, 'save': <function Model.save>, 'delete': <function Model.delete>, '__dict__': <attribute '__dict__' of 'Model' objects>, '__weakref__': <attribute '__weakref__' of 'Model' objects>})
__module__ = 'aiida.backends.sqlalchemy.models.base'
__weakref__

list of weak references to the object (if defined)

delete(commit=True)[source]

Emulate the behavior of Django’s delete() method

Parameters

commit – whether to do a commit or just remover from the session

query = None
save(commit=True)[source]

Emulate the behavior of Django’s save() method

Parameters

commit – whether to do a commit or just add to the session

Returns

the SQLAlchemy instance

session = <sqlalchemy.orm.session.Session object>
class aiida.backends.sqlalchemy.models.base._AiidaQuery(entities, session=None)[source]

Bases: sqlalchemy.orm.query.Query

AiiDA query.

__iter__()[source]

Iterator.

__module__ = 'aiida.backends.sqlalchemy.models.base'
class aiida.backends.sqlalchemy.models.base._QueryProperty(query_class=<class 'sqlalchemy.orm.query.Query'>)[source]

Bases: object

Query property.

__dict__ = mappingproxy({'__module__': 'aiida.backends.sqlalchemy.models.base', '__doc__': 'Query property.', '__init__': <function _QueryProperty.__init__>, '__get__': <function _QueryProperty.__get__>, '__dict__': <attribute '__dict__' of '_QueryProperty' objects>, '__weakref__': <attribute '__weakref__' of '_QueryProperty' objects>})
__get__(obj, _type)[source]

Get property of a query.

__init__(query_class=<class 'sqlalchemy.orm.query.Query'>)[source]

Initialize self. See help(type(self)) for accurate signature.

__module__ = 'aiida.backends.sqlalchemy.models.base'
__weakref__

list of weak references to the object (if defined)

class aiida.backends.sqlalchemy.models.base._SessionProperty[source]

Bases: object

Session Property

__dict__ = mappingproxy({'__module__': 'aiida.backends.sqlalchemy.models.base', '__doc__': 'Session Property', '__get__': <function _SessionProperty.__get__>, '__dict__': <attribute '__dict__' of '_SessionProperty' objects>, '__weakref__': <attribute '__weakref__' of '_SessionProperty' objects>})
__get__(obj, _type)[source]
__module__ = 'aiida.backends.sqlalchemy.models.base'
__weakref__

list of weak references to the object (if defined)

Module to manage comments for the SQLA backend.

class aiida.backends.sqlalchemy.models.comment.DbComment(*args, **kwargs)[source]

Bases: sqlalchemy.ext.declarative.api.Model

Class to store comments using SQLA backend.

__init__(*args, **kwargs)

Adding mtime attribute if not present.

__mapper__ = <Mapper at 0x7fb1f1250eb0; DbComment>
__module__ = 'aiida.backends.sqlalchemy.models.comment'
__str__()[source]

Return str(self).

__table__ = Table('db_dbcomment', MetaData(bind=None), Column('id', Integer(), table=<db_dbcomment>, primary_key=True, nullable=False), Column('uuid', UUID(as_uuid=True), table=<db_dbcomment>, default=ColumnDefault(<function get_new_uuid>)), Column('dbnode_id', Integer(), ForeignKey('db_dbnode.id'), table=<db_dbcomment>), Column('ctime', DateTime(timezone=True), table=<db_dbcomment>, default=ColumnDefault(<function now>)), Column('mtime', DateTime(timezone=True), table=<db_dbcomment>, onupdate=ColumnDefault(<function now>), default=ColumnDefault(<function now>)), Column('user_id', Integer(), ForeignKey('db_dbuser.id'), table=<db_dbcomment>), Column('content', Text(), table=<db_dbcomment>), schema=None)
__tablename__ = 'db_dbcomment'
_sa_class_manager = {'content': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'ctime': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'dbnode': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'dbnode_id': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'id': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'mtime': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'user': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'user_id': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'uuid': <sqlalchemy.orm.attributes.InstrumentedAttribute object>}
content
ctime
dbnode
dbnode_id
id
mtime
user
user_id
uuid

Module to manage computers for the SQLA backend.

class aiida.backends.sqlalchemy.models.computer.DbComputer(*args, **kwargs)[source]

Bases: sqlalchemy.ext.declarative.api.Model

Class to store computers using SQLA backend.

__init__(*args, **kwargs)

Provide _metadata and description attributes to the class.

__mapper__ = <Mapper at 0x7fb1f125ad00; DbComputer>
__module__ = 'aiida.backends.sqlalchemy.models.computer'
__str__()[source]

Return str(self).

__table__ = Table('db_dbcomputer', MetaData(bind=None), Column('id', Integer(), table=<db_dbcomputer>, primary_key=True, nullable=False), Column('uuid', UUID(as_uuid=True), table=<db_dbcomputer>, default=ColumnDefault(<function get_new_uuid>)), Column('name', String(length=255), table=<db_dbcomputer>, nullable=False), Column('hostname', String(length=255), table=<db_dbcomputer>), Column('description', Text(), table=<db_dbcomputer>), Column('scheduler_type', String(length=255), table=<db_dbcomputer>), Column('transport_type', String(length=255), table=<db_dbcomputer>), Column('metadata', JSONB(astext_type=Text()), table=<db_dbcomputer>), schema=None)
__tablename__ = 'db_dbcomputer'
_metadata
_sa_class_manager = {'_metadata': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'authinfos': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'dbnodes': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'description': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'hostname': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'id': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'name': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'scheduler_type': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'transport_type': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'uuid': <sqlalchemy.orm.attributes.InstrumentedAttribute object>}
authinfos
dbnodes
description
hostname
id
name
property pk
scheduler_type
transport_type
uuid

Module to manage computers for the SQLA backend.

class aiida.backends.sqlalchemy.models.group.DbGroup(**kwargs)[source]

Bases: sqlalchemy.ext.declarative.api.Model

Class to store groups using SQLA backend.

__init__(**kwargs)

A simple constructor that allows initialization from kwargs.

Sets attributes on the constructed instance using the names and values in kwargs.

Only keys that are present as attributes of the instance’s class are allowed. These could be, for example, any mapped columns or relationships.

__mapper__ = <Mapper at 0x7fb1f126c040; DbGroup>
__module__ = 'aiida.backends.sqlalchemy.models.group'
__str__()[source]

Return str(self).

__table__ = Table('db_dbgroup', MetaData(bind=None), Column('id', Integer(), table=<db_dbgroup>, primary_key=True, nullable=False), Column('uuid', UUID(as_uuid=True), table=<db_dbgroup>, default=ColumnDefault(<function get_new_uuid>)), Column('label', String(length=255), table=<db_dbgroup>), Column('type_string', String(length=255), table=<db_dbgroup>, default=ColumnDefault('')), Column('time', DateTime(timezone=True), table=<db_dbgroup>, default=ColumnDefault(<function now>)), Column('description', Text(), table=<db_dbgroup>), Column('extras', JSONB(astext_type=Text()), table=<db_dbgroup>, nullable=False, default=ColumnDefault(<function dict>)), Column('user_id', Integer(), ForeignKey('db_dbuser.id'), table=<db_dbgroup>), schema=None)
__table_args__ = (UniqueConstraint(Column('label', String(length=255), table=<db_dbgroup>), Column('type_string', String(length=255), table=<db_dbgroup>, default=ColumnDefault(''))),)
__tablename__ = 'db_dbgroup'
_sa_class_manager = {'dbnodes': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'description': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'extras': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'id': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'label': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'time': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'type_string': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'user': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'user_id': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'uuid': <sqlalchemy.orm.attributes.InstrumentedAttribute object>}
dbnodes
description
extras
id
label
property pk
time
type_string
user
user_id
uuid

Module to manage logs for the SQLA backend.

class aiida.backends.sqlalchemy.models.log.DbLog(time, loggername, levelname, dbnode_id, **kwargs)[source]

Bases: sqlalchemy.ext.declarative.api.Model

Class to store logs using SQLA backend.

__init__(time, loggername, levelname, dbnode_id, **kwargs)

Setup initial value for the class attributes.

__mapper__ = <Mapper at 0x7fb1f126ceb0; DbLog>
__module__ = 'aiida.backends.sqlalchemy.models.log'
__str__()[source]

Return str(self).

__table__ = Table('db_dblog', MetaData(bind=None), Column('id', Integer(), table=<db_dblog>, primary_key=True, nullable=False), Column('uuid', UUID(as_uuid=True), table=<db_dblog>, default=ColumnDefault(<function get_new_uuid>)), Column('time', DateTime(timezone=True), table=<db_dblog>, default=ColumnDefault(<function now>)), Column('loggername', String(length=255), table=<db_dblog>), Column('levelname', String(length=255), table=<db_dblog>), Column('dbnode_id', Integer(), ForeignKey('db_dbnode.id'), table=<db_dblog>, nullable=False), Column('message', Text(), table=<db_dblog>), Column('metadata', JSONB(astext_type=Text()), table=<db_dblog>), schema=None)
__tablename__ = 'db_dblog'
_metadata
_sa_class_manager = {'_metadata': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'dbnode': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'dbnode_id': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'id': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'levelname': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'loggername': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'message': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'time': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'uuid': <sqlalchemy.orm.attributes.InstrumentedAttribute object>}
dbnode
dbnode_id
id
levelname
loggername
message
time
uuid

Module to manage nodes for the SQLA backend.

Bases: sqlalchemy.ext.declarative.api.Model

Class to store links between nodes using SQLA backend.

__init__(**kwargs)

A simple constructor that allows initialization from kwargs.

Sets attributes on the constructed instance using the names and values in kwargs.

Only keys that are present as attributes of the instance’s class are allowed. These could be, for example, any mapped columns or relationships.

__mapper__ = <Mapper at 0x7fb1f11c3fa0; DbLink>
__module__ = 'aiida.backends.sqlalchemy.models.node'
__str__()[source]

Return str(self).

__table__ = Table('db_dblink', MetaData(bind=None), Column('id', Integer(), table=<db_dblink>, primary_key=True, nullable=False), Column('input_id', Integer(), ForeignKey('db_dbnode.id'), table=<db_dblink>), Column('output_id', Integer(), ForeignKey('db_dbnode.id'), table=<db_dblink>), Column('label', String(length=255), table=<db_dblink>, nullable=False), Column('type', String(length=255), table=<db_dblink>), schema=None)
__table_args__ = ()
__tablename__ = 'db_dblink'
_sa_class_manager = {'id': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'input': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'input_id': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'label': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'output': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'output_id': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'type': <sqlalchemy.orm.attributes.InstrumentedAttribute object>}
id
input
input_id
label
output
output_id
type
class aiida.backends.sqlalchemy.models.node.DbNode(*args, **kwargs)[source]

Bases: sqlalchemy.ext.declarative.api.Model

Class to store nodes using SQLA backend.

__init__(*args, **kwargs)

Add three additional attributes to the base class: mtime, attributes and extras.

__mapper__ = <Mapper at 0x7fb1f11c3340; DbNode>
__module__ = 'aiida.backends.sqlalchemy.models.node'
__str__()[source]

Get string object out of DbNode object.

__table__ = Table('db_dbnode', MetaData(bind=None), Column('id', Integer(), table=<db_dbnode>, primary_key=True, nullable=False), Column('uuid', UUID(as_uuid=True), table=<db_dbnode>, default=ColumnDefault(<function get_new_uuid>)), Column('node_type', String(length=255), table=<db_dbnode>), Column('process_type', String(length=255), table=<db_dbnode>), Column('label', String(length=255), table=<db_dbnode>, default=ColumnDefault('')), Column('description', Text(), table=<db_dbnode>, default=ColumnDefault('')), Column('ctime', DateTime(timezone=True), table=<db_dbnode>, default=ColumnDefault(<function now>)), Column('mtime', DateTime(timezone=True), table=<db_dbnode>, onupdate=ColumnDefault(<function now>), default=ColumnDefault(<function now>)), Column('attributes', JSONB(astext_type=Text()), table=<db_dbnode>), Column('extras', JSONB(astext_type=Text()), table=<db_dbnode>), Column('dbcomputer_id', Integer(), ForeignKey('db_dbcomputer.id'), table=<db_dbnode>), Column('user_id', Integer(), ForeignKey('db_dbuser.id'), table=<db_dbnode>, nullable=False), schema=None)
__tablename__ = 'db_dbnode'
_sa_class_manager = {'attributes': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'ctime': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'dbcomments': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'dbcomputer': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'dbcomputer_id': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'dbgroups': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'dblogs': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'description': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'extras': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'id': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'inputs_q': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'label': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'mtime': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'node_type': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'outputs_q': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'process_type': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'user': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'user_id': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'uuid': <sqlalchemy.orm.attributes.InstrumentedAttribute object>}
attributes
ctime
dbcomments
dbcomputer
dbcomputer_id
dbgroups
dblogs
description
extras
get_simple_name(invalid_result=None)[source]

Return a string with the last part of the type name.

If the type is empty, use ‘Node’. If the type is invalid, return the content of the input variable invalid_result.

Parameters

invalid_result – The value to be returned if the node type is not recognized.

id
property inputs
inputs_q
label
mtime
node_type
property outputs
outputs_q
property pk
process_type
user
user_id
uuid

Module to manage node settings for the SQLA backend.

class aiida.backends.sqlalchemy.models.settings.DbSetting(**kwargs)[source]

Bases: sqlalchemy.ext.declarative.api.Model

Class to store node settings using the SQLA backend.

__init__(**kwargs)

A simple constructor that allows initialization from kwargs.

Sets attributes on the constructed instance using the names and values in kwargs.

Only keys that are present as attributes of the instance’s class are allowed. These could be, for example, any mapped columns or relationships.

__mapper__ = <Mapper at 0x7fb1f11d1f70; DbSetting>
__module__ = 'aiida.backends.sqlalchemy.models.settings'
__str__()[source]

Return str(self).

__table__ = Table('db_dbsetting', MetaData(bind=None), Column('id', Integer(), table=<db_dbsetting>, primary_key=True, nullable=False), Column('key', String(length=255), table=<db_dbsetting>, nullable=False), Column('val', JSONB(astext_type=Text()), table=<db_dbsetting>, default=ColumnDefault({})), Column('description', String(length=255), table=<db_dbsetting>, nullable=False, default=ColumnDefault('')), Column('time', DateTime(timezone=True), table=<db_dbsetting>, onupdate=ColumnDefault(<function now>), default=ColumnDefault(<UTC>)), schema=None)
__table_args__ = (UniqueConstraint(Column('key', String(length=255), table=<db_dbsetting>, nullable=False)),)
__tablename__ = 'db_dbsetting'
_sa_class_manager = {'description': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'id': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'key': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'time': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'val': <sqlalchemy.orm.attributes.InstrumentedAttribute object>}
classmethod del_value(key)[source]

Delete a setting value.

description
get_description()[source]

This can be called on a given row and will get the corresponding description.

getvalue()[source]

This can be called on a given row and will get the corresponding value.

id
key
classmethod set_value(key, value, other_attribs=None, stop_if_existing=False)[source]

Set a setting value.

time
val

Module to manage users for the SQLA backend.

class aiida.backends.sqlalchemy.models.user.DbUser(email, first_name='', last_name='', institution='', **kwargs)[source]

Bases: sqlalchemy.ext.declarative.api.Model

Store users using the SQLA backend.

__init__(email, first_name='', last_name='', institution='', **kwargs)

Set additional class attributes with respect to the base class.

__mapper__ = <Mapper at 0x7fb1f11db9a0; DbUser>
__module__ = 'aiida.backends.sqlalchemy.models.user'
__str__()[source]

Return str(self).

__table__ = Table('db_dbuser', MetaData(bind=None), Column('id', Integer(), table=<db_dbuser>, primary_key=True, nullable=False), Column('email', String(length=254), table=<db_dbuser>), Column('first_name', String(length=254), table=<db_dbuser>), Column('last_name', String(length=254), table=<db_dbuser>), Column('institution', String(length=254), table=<db_dbuser>), schema=None)
__tablename__ = 'db_dbuser'
_sa_class_manager = {'authinfos': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'dbgroups': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'dbnodes': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'email': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'first_name': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'id': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'institution': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'last_name': <sqlalchemy.orm.attributes.InstrumentedAttribute object>}
authinfos
dbgroups
dbnodes
email
first_name
id
institution
last_name