aiida.backends.sqlalchemy.models package

Submodules

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

Bases: sqlalchemy.ext.declarative.api.Model

__init__(*args, **kwargs)

__mapper__ = <Mapper at 0x7fee25c60bd0; DbAuthInfo>

__module__ = 'aiida.backends.sqlalchemy.models.authinfo'

__str__() <==> str(x)

__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(), table=<db_dbauthinfo>), Column('auth_params', JSONB(), table=<db_dbauthinfo>), Column('enabled', Boolean(), table=<db_dbauthinfo>), 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 at 0x7fee25c66950>, 'aiidauser': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7fee25c66770>, 'aiidauser_id': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7fee25c66ad0>, 'auth_params': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7fee25c66c50>, 'dbcomputer': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7fee25c66890>, 'dbcomputer_id': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7fee25c66b90>, 'enabled': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7fee25c66d10>, 'id': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7fee25c66a10>}

aiidauser

aiidauser_id

auth_params

dbcomputer

dbcomputer_id

enabled

get_auth_params()

get_transport()

Given a computer and an aiida user (as entries of the DB) return a configured transport to connect to the computer.

get_workdir()

id

set_auth_params(auth_params)

class aiida.backends.sqlalchemy.models.base.Model

Bases: object

__dict__ = dict_proxy({'__module__': 'aiida.backends.sqlalchemy.models.base', 'session': <aiida.backends.sqlalchemy.models.base._SessionProperty object>, '__dict__': <attribute '__dict__' of 'Model' objects>, 'query': <aiida.backends.sqlalchemy.models.base._QueryProperty object>, 'save': <function save>, '__weakref__': <attribute '__weakref__' of 'Model' objects>, '__doc__': None, 'delete': <function delete>})

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

__weakref__

list of weak references to the object (if defined)

delete(commit=True)

query = None

save(commit=True)

session

class aiida.backends.sqlalchemy.models.base._AiidaQuery(*args, **kwargs)

Bases: sqlalchemy.orm.query.Query

__init__(*args, **kwargs)

Constructor

__iter__()

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

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

Bases: object

__dict__ = dict_proxy({'__module__': 'aiida.backends.sqlalchemy.models.base', '__dict__': <attribute '__dict__' of '_QueryProperty' objects>, '__weakref__': <attribute '__weakref__' of '_QueryProperty' objects>, '__doc__': None, '__init__': <function __init__>, '__get__': <function __get__>})

__get__(obj, _type)

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

x.__init__(…) initializes x; see help(type(x)) for signature

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

__weakref__

list of weak references to the object (if defined)

class aiida.backends.sqlalchemy.models.base._SessionProperty

Bases: object

__dict__ = dict_proxy({'__dict__': <attribute '__dict__' of '_SessionProperty' objects>, '__module__': 'aiida.backends.sqlalchemy.models.base', '__weakref__': <attribute '__weakref__' of '_SessionProperty' objects>, '__doc__': None, '__get__': <function __get__>})

__get__(obj, _type)

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

__weakref__

list of weak references to the object (if defined)

class aiida.backends.sqlalchemy.models.comment.DbComment(**kwargs)

Bases: sqlalchemy.ext.declarative.api.Model

__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 0x7fee25b3e890; DbComment>

__module__ = 'aiida.backends.sqlalchemy.models.comment'

__str__() <==> str(x)

__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 <lambda>>)), Column('dbnode_id', Integer(), ForeignKey('db_dbnode.id'), table=<db_dbcomment>), Column('ctime', DateTime(timezone=True), table=<db_dbcomment>, default=ColumnDefault(<function <lambda>>)), Column('mtime', DateTime(timezone=True), table=<db_dbcomment>, default=ColumnDefault(<function <lambda>>)), 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 at 0x7fee25b467d0>, 'ctime': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7fee25b46590>, 'dbnode': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7fee25b46110>, 'dbnode_id': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7fee25b464d0>, 'id': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7fee25b46350>, 'mtime': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7fee25b46650>, 'user': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7fee25b46290>, 'user_id': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7fee25b46710>, 'uuid': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7fee25b46410>}

content

ctime

dbnode

dbnode_id

id

mtime

user

user_id

uuid

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

Bases: sqlalchemy.ext.declarative.api.Model

__init__(*args, **kwargs)

__mapper__ = <Mapper at 0x7fee25b6c310; DbComputer>

__module__ = 'aiida.backends.sqlalchemy.models.computer'

__str__() <==> str(x)

__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 <lambda>>)), 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('enabled', Boolean(), table=<db_dbcomputer>), Column('transport_type', String(length=255), table=<db_dbcomputer>), Column('scheduler_type', String(length=255), table=<db_dbcomputer>), Column('transport_params', JSONB(), table=<db_dbcomputer>), Column('metadata', JSONB(), table=<db_dbcomputer>), schema=None)

__tablename__ = 'db_dbcomputer'

_metadata

_sa_class_manager = {'_metadata': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7fee25b46a70>, 'authinfos': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7fee28922c50>, 'dbnodes': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7fee27d8fef0>, 'description': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7fee25b46ef0>, 'enabled': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7fee25b46fb0>, 'hostname': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7fee25b46e30>, 'id': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7fee25b46bf0>, 'name': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7fee25b46d70>, 'scheduler_type': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7fee25b58170>, 'transport_params': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7fee25b58230>, 'transport_type': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7fee25b580b0>, 'uuid': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7fee25b46cb0>}

authinfos

dbnodes

description

enabled

get_aiida_class()

classmethod get_dbcomputer(computer)

Return a DbComputer from its name (or from another Computer or DbComputer instance)

get_shebang()

get_workdir()

hostname

id

name

pk

scheduler_type

transport_params

transport_type

uuid

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

Bases: sqlalchemy.ext.declarative.api.Model

__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 0x7fee25b5b5d0; DbGroup>

__module__ = 'aiida.backends.sqlalchemy.models.group'

__str__() <==> str(x)

__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 <lambda>>)), Column('name', String(length=255), table=<db_dbgroup>), Column('type', String(length=255), table=<db_dbgroup>, default=ColumnDefault('')), Column('time', DateTime(timezone=True), table=<db_dbgroup>, default=ColumnDefault(<function <lambda>>)), Column('description', Text(), table=<db_dbgroup>), Column('user_id', Integer(), ForeignKey('db_dbuser.id'), table=<db_dbgroup>), schema=None)

__table_args__ = (UniqueConstraint(Column('name', String(length=255), table=<db_dbgroup>), Column('type', String(length=255), table=<db_dbgroup>, default=ColumnDefault(''))),)

__tablename__ = 'db_dbgroup'

_sa_class_manager = {'dbnodes': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7fee25b58710>, 'description': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7fee25b58b90>, 'id': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7fee25b587d0>, 'name': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7fee25b58950>, 'time': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7fee25b58ad0>, 'type': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7fee25b58a10>, 'user': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7fee25b58590>, 'user_id': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7fee25b58c50>, 'uuid': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7fee25b58890>}

dbnodes

description

get_aiida_class()

id

name

pk

time

type

user

user_id

uuid

class aiida.backends.sqlalchemy.models.lock.DbLock(**kwargs)

Bases: sqlalchemy.ext.declarative.api.Model

__init__(**kwargs)

__mapper__ = <Mapper at 0x7fee25b5bd10; DbLock>

__module__ = 'aiida.backends.sqlalchemy.models.lock'

__table__ = Table('db_dblock', MetaData(bind=None), Column('key', String(length=255), table=<db_dblock>, primary_key=True, nullable=False), Column('creation', DateTime(timezone=True), table=<db_dblock>, default=ColumnDefault(<function <lambda>>)), Column('timeout', Integer(), table=<db_dblock>), Column('owner', String(length=255), table=<db_dblock>), schema=None)

__tablename__ = 'db_dblock'

_sa_class_manager = {'creation': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7fee25b6b110>, 'key': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7fee25b58f50>, 'owner': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7fee25b6b290>, 'timeout': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7fee25b6b1d0>}

creation

key

owner

timeout

class aiida.backends.sqlalchemy.models.log.DbLog(time, loggername='', levelname='', objname='', objpk=None, message=None, metadata=None)

Bases: sqlalchemy.ext.declarative.api.Model

__init__(time, loggername='', levelname='', objname='', objpk=None, message=None, metadata=None)

__mapper__ = <Mapper at 0x7fee25b78510; DbLog>

__module__ = 'aiida.backends.sqlalchemy.models.log'

__str__() <==> str(x)

__table__ = Table('db_dblog', MetaData(bind=None), Column('id', Integer(), table=<db_dblog>, primary_key=True, nullable=False), Column('time', DateTime(timezone=True), table=<db_dblog>, default=ColumnDefault(<function <lambda>>)), Column('loggername', String(length=255), table=<db_dblog>), Column('levelname', String(length=255), table=<db_dblog>), Column('objname', String(length=255), table=<db_dblog>), Column('objpk', Integer(), table=<db_dblog>), Column('message', Text(), table=<db_dblog>), Column('metadata', JSONB(), table=<db_dblog>), schema=None)

__tablename__ = 'db_dblog'

_metadata

_sa_class_manager = {'_metadata': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7fee25b6b590>, 'id': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7fee25b6b710>, 'levelname': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7fee25b6b950>, 'loggername': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7fee25b6b890>, 'message': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7fee25b6bb90>, 'objname': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7fee25b6ba10>, 'objpk': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7fee25b6bad0>, 'time': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7fee25b6b7d0>}

id

levelname

loggername

message

objname

objpk

time

class aiida.backends.sqlalchemy.models.node.DbCalcState(**kwargs)

Bases: sqlalchemy.ext.declarative.api.Model

__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 0x7fee25ac4950; DbCalcState>

__module__ = 'aiida.backends.sqlalchemy.models.node'

__table__ = Table('db_dbcalcstate', MetaData(bind=None), Column('id', Integer(), table=<db_dbcalcstate>, primary_key=True, nullable=False), Column('dbnode_id', Integer(), ForeignKey('db_dbnode.id'), table=<db_dbcalcstate>), Column('state', ChoiceType(length=255), table=<db_dbcalcstate>), Column('time', DateTime(timezone=True), table=<db_dbcalcstate>, default=ColumnDefault(<function <lambda>>)), schema=None)

__table_args__ = (UniqueConstraint(Column('dbnode_id', Integer(), ForeignKey('db_dbnode.id'), table=<db_dbcalcstate>), Column('state', ChoiceType(length=255), table=<db_dbcalcstate>)),)

__tablename__ = 'db_dbcalcstate'

_sa_class_manager = {'dbnode': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7fee25aeba70>, 'dbnode_id': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7fee25aebd10>, 'id': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7fee25aebc50>, 'state': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7fee25aebdd0>, 'time': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7fee25aebe90>}

dbnode

dbnode_id

id

state

time

class aiida.backends.sqlalchemy.models.node.DbLink(**kwargs)

Bases: sqlalchemy.ext.declarative.api.Model

__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 0x7fee25ae65d0; DbLink>

__module__ = 'aiida.backends.sqlalchemy.models.node'

__str__() <==> str(x)

__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 at 0x7fee25af7050>, 'input': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7fee25ae0dd0>, 'input_id': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7fee25af7110>, 'label': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7fee25af7290>, 'output': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7fee25ae0f50>, 'output_id': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7fee25af71d0>, 'type': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7fee25af7350>}

id

input

input_id

label

output

output_id

type

class aiida.backends.sqlalchemy.models.node.DbNode(*args, **kwargs)

Bases: sqlalchemy.ext.declarative.api.Model

__init__(*args, **kwargs)

__mapper__ = <Mapper at 0x7fee25ad68d0; DbNode>

__module__ = 'aiida.backends.sqlalchemy.models.node'

__str__() <==> str(x)

__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 <lambda>>)), Column('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 <lambda>>)), Column('mtime', DateTime(timezone=True), table=<db_dbnode>, default=ColumnDefault(<function <lambda>>)), Column('nodeversion', Integer(), table=<db_dbnode>, default=ColumnDefault(1)), Column('public', Boolean(), table=<db_dbnode>, default=ColumnDefault(False)), Column('attributes', JSONB(), table=<db_dbnode>), Column('extras', JSONB(), 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'

static _del_attr(key)

_sa_class_manager = {'attributes': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7fee25ae0a10>, 'ctime': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7fee25ae0710>, 'dbcomments': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7fee27d8f710>, 'dbcomputer': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7fee25ae00b0>, 'dbcomputer_id': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7fee25ae0b90>, 'dbgroups': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7fee27e9fa10>, 'dbstates': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7fee27d565f0>, 'description': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7fee25ae0650>, 'extras': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7fee25ae0ad0>, 'id': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7fee25ae0350>, 'inputs_q': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7fee27ddf590>, 'label': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7fee25ae0590>, 'mtime': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7fee25ae07d0>, 'nodeversion': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7fee25ae0890>, 'outputs_q': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7fee25ae0290>, 'public': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7fee25ae0950>, 'type': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7fee25ae04d0>, 'user': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7fee25ae01d0>, 'user_id': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7fee25ae0c50>, 'uuid': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7fee25ae0410>, 'workflow_step': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7fee27f7b350>}

static _set_attr(key, value)

aiida_query = <aiida.backends.sqlalchemy.models.base._AiidaQuery object>

attributes

computer_name = <sqlalchemy.sql.elements.Label object>

ctime

dbcomments

dbcomputer

dbcomputer_id

dbgroups

dbstates

del_attr(key)

del_extra(key)

description

extras

get_aiida_class()

Return the corresponding aiida instance of class aiida.orm.Node or a appropriate subclass.

get_simple_name(invalid_result=None)

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

inputs

inputs_q

label

mtime

nodeversion

outputs

outputs_q

pk

public

reset_extras(new_extras)

set_attr(key, value)

set_extra(key, value)

state = <sqlalchemy.sql.elements.Label object>

type

user

user_email = <sqlalchemy.sql.elements.Label object>

user_id

uuid

workflow_step

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

Bases: sqlalchemy.ext.declarative.api.Model

__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 0x7fee27c25990; DbSetting>

__module__ = 'aiida.backends.sqlalchemy.models.settings'

__str__() <==> str(x)

__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(), 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>, 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 at 0x7fee27f1fa70>, 'id': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7fee27e48a10>, 'key': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7fee27e48050>, 'time': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7fee27f1f5f0>, 'val': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7fee27e483b0>}

classmethod del_value(key, only_children=False, subspecifier_value=None)

description

get_description()

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

getvalue()

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

id

key

classmethod set_value(key, value, with_transaction=True, subspecifier_value=None, other_attribs={}, stop_if_existing=False)

time

val

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

Bases: sqlalchemy.ext.declarative.api.Model

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

__mapper__ = <Mapper at 0x7fee25ac9b10; DbUser>

__module__ = 'aiida.backends.sqlalchemy.models.user'

__str__() <==> str(x)

__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('password', String(length=128), table=<db_dbuser>), Column('is_superuser', Boolean(), table=<db_dbuser>, nullable=False, default=ColumnDefault(False)), 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>), Column('is_staff', Boolean(), table=<db_dbuser>, default=ColumnDefault(False)), Column('is_active', Boolean(), table=<db_dbuser>, default=ColumnDefault(False)), Column('last_login', DateTime(timezone=True), table=<db_dbuser>, default=ColumnDefault(<function <lambda>>)), Column('date_joined', DateTime(timezone=True), table=<db_dbuser>, default=ColumnDefault(<function <lambda>>)), schema=None)

__tablename__ = 'db_dbuser'

_sa_class_manager = {'authinfos': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7fee28922bf0>, 'date_joined': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7fee25aeb710>, 'dbgroups': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7fee27f8c290>, 'dbnodes': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7fee27ddf3b0>, 'email': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7fee25aeb530>, 'first_name': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7fee25aeb170>, 'id': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7fee25b6bef0>, 'institution': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7fee25aeb3b0>, 'is_active': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7fee25aeb590>, 'is_staff': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7fee25aeb470>, 'is_superuser': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7fee25aeb0b0>, 'last_login': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7fee25aeb650>, 'last_name': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7fee25aeb290>, 'password': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7fee25aeb2f0>}

authinfos

date_joined

dbgroups

dbnodes

email

first_name

get_aiida_class()

get_full_name()

get_short_name()

id

institution

is_active

is_staff

is_superuser

last_login

last_name

password

aiida.backends.sqlalchemy.models.utils.get_value_of_sub_field(key, original_get_value)

Get the value that corresponds to sub-fields of dictionaries stored in a JSON. For example, if there is a dictionary {‘b’: ‘c’} stored as value of the key ‘a’ value ‘a’ :param key: The key that can be simple, a string, or complex, a set of keys separated by the separator value. :param original_get_value: The function that should be called to get the original value (which can be a dictionary too). :return: The value that correspond to the complex (or not) key. :raise NotExistent: If the key doesn’t correspond to a value

aiida.backends.sqlalchemy.models.utils.validate_key(key)

Validate the key string to check if it is valid (e.g., if it does not contain the separator symbol.).

Returns:None if the key is valid Raises:ValidationError – if the key is not valid

class aiida.backends.sqlalchemy.models.workflow.DbWorkflow(*args, **kwargs)

Bases: sqlalchemy.ext.declarative.api.Model

__init__(*args, **kwargs)

__mapper__ = <Mapper at 0x7fee25a466d0; DbWorkflow>

__module__ = 'aiida.backends.sqlalchemy.models.workflow'

__str__() <==> str(x)

__table__ = Table('db_dbworkflow', MetaData(bind=None), Column('id', Integer(), table=<db_dbworkflow>, primary_key=True, nullable=False), Column('uuid', UUID(as_uuid=True), table=<db_dbworkflow>, default=ColumnDefault(<function <lambda>>)), Column('ctime', DateTime(timezone=True), table=<db_dbworkflow>, default=ColumnDefault(<function <lambda>>)), Column('mtime', DateTime(timezone=True), table=<db_dbworkflow>, default=ColumnDefault(<function <lambda>>)), Column('user_id', Integer(), ForeignKey('db_dbuser.id'), table=<db_dbworkflow>), Column('label', String(length=255), table=<db_dbworkflow>), Column('description', Text(), table=<db_dbworkflow>), Column('nodeversion', Integer(), table=<db_dbworkflow>), Column('lastsyncedversion', Integer(), table=<db_dbworkflow>), Column('state', ChoiceType(length=255), table=<db_dbworkflow>, default=ColumnDefault(u'INITIALIZED')), Column('report', Text(), table=<db_dbworkflow>), Column('module', Text(), table=<db_dbworkflow>), Column('module_class', Text(), table=<db_dbworkflow>), Column('script_path', Text(), table=<db_dbworkflow>), Column('script_md5', String(length=255), table=<db_dbworkflow>), schema=None)

__tablename__ = 'db_dbworkflow'

_get_or_create_data(name, data_type)

_get_or_create_step(name, user)

_sa_class_manager = {'ctime': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7fee25af7950>, 'data': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7fee25af76b0>, 'description': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7fee25af7e30>, 'id': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7fee25af7770>, 'label': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7fee25af7cb0>, 'lastsyncedversion': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7fee25a3a2f0>, 'module': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7fee25a3a530>, 'module_class': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7fee25a3a5f0>, 'mtime': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7fee25af7a10>, 'nodeversion': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7fee25af7ef0>, 'parent_workflow_step': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7fee27f7b110>, 'report': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7fee25a3a470>, 'script_md5': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7fee25a3a770>, 'script_path': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7fee25a3a6b0>, 'state': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7fee25a3a3b0>, 'steps': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7fee27f7bbf0>, 'user': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7fee25af74d0>, 'user_id': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7fee25af7bf0>, 'uuid': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7fee25af7890>}

add_attribute(name, value)

add_attributes(_dict)

add_data(dict, d_type)

add_parameter(name, value)

add_parameters(_dict, force=False)

add_result(name, value)

add_results(_dict)

aiida_query = <aiida.backends.sqlalchemy.models.base._AiidaQuery object>

append_to_report(_text)

clear_report()

ctime

data

description

finish()

get_aiida_class()

Return the corresponding aiida instance of class aiida.worflow

get_attribute(name)

get_attributes()

get_calculations()

get_data(d_type)

get_parameter(name)

get_parameters()

get_result(name)

get_results()

get_sub_workflows()

id

is_subworkflow()

Return True if this is a subworkflow, False if it is a root workflow, launched by the user.

label

lastsyncedversion

module

module_class

mtime

nodeversion

parent_workflow_step

pk

report

script_md5

script_path

set_script_md5(md5)

set_state(state)

state

steps

user

user_id

uuid

class aiida.backends.sqlalchemy.models.workflow.DbWorkflowData(**kwargs)

Bases: sqlalchemy.ext.declarative.api.Model

__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 0x7fee25a59210; DbWorkflowData>

__module__ = 'aiida.backends.sqlalchemy.models.workflow'

__str__() <==> str(x)

__table__ = Table('db_dbworkflowdata', MetaData(bind=None), Column('id', Integer(), table=<db_dbworkflowdata>, primary_key=True, nullable=False), Column('parent_id', Integer(), ForeignKey('db_dbworkflow.id'), table=<db_dbworkflowdata>), Column('name', String(length=255), table=<db_dbworkflowdata>), Column('time', DateTime(timezone=True), table=<db_dbworkflowdata>, default=ColumnDefault(<function <lambda>>)), Column('data_type', String(length=255), table=<db_dbworkflowdata>, default=ColumnDefault(u'PARAMETER')), Column('value_type', String(length=255), table=<db_dbworkflowdata>, default=ColumnDefault(u'NONE')), Column('json_value', Text(), table=<db_dbworkflowdata>), Column('aiida_obj_id', Integer(), ForeignKey('db_dbnode.id'), table=<db_dbworkflowdata>), schema=None)

__table_args__ = (UniqueConstraint(Column('parent_id', Integer(), ForeignKey('db_dbworkflow.id'), table=<db_dbworkflowdata>), Column('name', String(length=255), table=<db_dbworkflowdata>), Column('data_type', String(length=255), table=<db_dbworkflowdata>, default=ColumnDefault(u'PARAMETER'))),)

__tablename__ = 'db_dbworkflowdata'

_sa_class_manager = {'aiida_obj': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7fee25a3a170>, 'aiida_obj_id': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7fee25a3ae30>, 'data_type': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7fee25a3abf0>, 'id': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7fee25a3a1d0>, 'json_value': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7fee25a3ad70>, 'name': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7fee25a3aa70>, 'parent': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7fee27ddfb90>, 'parent_id': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7fee25a3a9b0>, 'time': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7fee25a3ab30>, 'value_type': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7fee25a3acb0>}

aiida_obj

aiida_obj_id

data_type

get_or_create(**kwargs)

get_value()

id

json_value

name

parent

parent_id

set_value(arg)

time

value_type

class aiida.backends.sqlalchemy.models.workflow.DbWorkflowStep(**kwargs)

Bases: sqlalchemy.ext.declarative.api.Model

__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 0x7fee25a68710; DbWorkflowStep>

__module__ = 'aiida.backends.sqlalchemy.models.workflow'

__str__() <==> str(x)

__table__ = Table('db_dbworkflowstep', MetaData(bind=None), Column('id', Integer(), table=<db_dbworkflowstep>, primary_key=True, nullable=False), Column('parent_id', Integer(), ForeignKey('db_dbworkflow.id'), table=<db_dbworkflowstep>), Column('user_id', Integer(), ForeignKey('db_dbuser.id'), table=<db_dbworkflowstep>), Column('name', String(length=255), table=<db_dbworkflowstep>), Column('time', DateTime(timezone=True), table=<db_dbworkflowstep>, default=ColumnDefault(<function <lambda>>)), Column('nextcall', String(length=255), table=<db_dbworkflowstep>, default=ColumnDefault('none')), Column('state', ChoiceType(length=255), table=<db_dbworkflowstep>, default=ColumnDefault(u'CREATED')), schema=None)

__table_args__ = (UniqueConstraint(Column('parent_id', Integer(), ForeignKey('db_dbworkflow.id'), table=<db_dbworkflowstep>), Column('name', String(length=255), table=<db_dbworkflowstep>)),)

__tablename__ = 'db_dbworkflowstep'

_sa_class_manager = {'calculations': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7fee25a6d2f0>, 'id': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7fee25a6d470>, 'name': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7fee25a6d6b0>, 'nextcall': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7fee25a6d830>, 'parent': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7fee25a6d0b0>, 'parent_id': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7fee25a6d530>, 'state': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7fee25a6d8f0>, 'sub_workflows': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7fee25a6d3b0>, 'time': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7fee25a6d770>, 'user': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7fee25a6d230>, 'user_id': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7fee25a6d5f0>}

add_calculation(step_calculation)

add_sub_workflow(sub_wf)

calculations

finish()

get_calculations(state=None)

get_sub_workflows()

id

is_finished()

name

nextcall

parent

parent_id

reinitialize()

remove_calculations()

remove_sub_workflows()

set_nextcall(_nextcall)

set_state(_state)

state

sub_workflows

time

user

user_id