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 0x7f09c9986f10; 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 0x7f09c9abbc50>, 'aiidauser': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7f09c9abba70>, 'aiidauser_id': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7f09c9abbdd0>, 'auth_params': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7f09c9abbf50>, 'dbcomputer': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7f09c9abbb90>, 'dbcomputer_id': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7f09c9abbe90>, 'enabled': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7f09c994d050>, 'id': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7f09c9abbd10>}

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 0x7f09c99bed10; 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 0x7f09c994dad0>, 'ctime': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7f09c994d890>, 'dbnode': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7f09c994d410>, 'dbnode_id': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7f09c994d7d0>, 'id': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7f09c994d650>, 'mtime': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7f09c994d950>, 'user': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7f09c994d590>, 'user_id': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7f09c994da10>, 'uuid': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7f09c994d710>}

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 0x7f09c9955750; 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 0x7f09c994dd70>, 'authinfos': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7f09cbb2b4d0>, 'dbnodes': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7f09cc76c590>, 'description': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7f09c995e230>, 'enabled': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7f09c995e2f0>, 'hostname': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7f09c995e170>, 'id': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7f09c994def0>, 'name': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7f09c995e0b0>, 'scheduler_type': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7f09c995e470>, 'transport_params': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7f09c995e530>, 'transport_type': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7f09c995e3b0>, 'uuid': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7f09c994dfb0>}

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 0x7f09c997ba10; 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 0x7f09c995ea10>, 'description': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7f09c995ee90>, 'id': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7f09c995ead0>, 'name': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7f09c995ec50>, 'time': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7f09c995edd0>, 'type': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7f09c995ed10>, 'user': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7f09c995e890>, 'user_id': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7f09c995ef50>, 'uuid': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7f09c995eb90>}

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 0x7f09c9970190; 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 0x7f09c9973410>, 'key': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7f09c9973290>, 'owner': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7f09c9973590>, 'timeout': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7f09c99734d0>}

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 0x7f09c9970950; 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 0x7f09c9973890>, 'id': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7f09c9973a10>, 'levelname': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7f09c9973c50>, 'loggername': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7f09c9973b90>, 'message': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7f09c9973e90>, 'objname': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7f09c9973d10>, 'objpk': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7f09c9973dd0>, 'time': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7f09c9973ad0>}

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 0x7f09c98fad90; 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 0x7f09c98f9d70>, 'dbnode_id': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7f09c98e0050>, 'id': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7f09c98f9f50>, 'state': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7f09c98e0110>, 'time': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7f09c98e01d0>}

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 0x7f09c98eba10; 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 0x7f09c98f5350>, 'input': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7f09c98f5110>, 'input_id': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7f09c98f5410>, 'label': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7f09c98f5590>, 'output': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7f09c98f5290>, 'output_id': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7f09c98f54d0>, 'type': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7f09c98f5650>}

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 0x7f09c98dfd10; 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(d, key)

_sa_class_manager = {'attributes': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7f09c98e0d10>, 'ctime': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7f09c98e0a10>, 'dbcomments': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7f09cbbf9830>, 'dbcomputer': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7f09c98e03b0>, 'dbcomputer_id': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7f09c98e0e90>, 'dbgroups': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7f09cbb4c830>, 'dbstates': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7f09cbbe38f0>, 'description': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7f09c98e0950>, 'extras': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7f09c98e0dd0>, 'id': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7f09c98e0650>, 'inputs_q': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7f09cc76c710>, 'label': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7f09c98e0890>, 'mtime': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7f09c98e0ad0>, 'nodeversion': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7f09c98e0b90>, 'outputs_q': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7f09c98e0590>, 'public': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7f09c98e0c50>, 'type': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7f09c98e07d0>, 'user': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7f09c98e04d0>, 'user_id': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7f09c98e0f50>, 'uuid': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7f09c98e0710>, 'workflow_step': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7f09cbb73170>}

static _set_attr(d, 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 0x7f09cb8f2d10; 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 0x7f09cbd55410>, 'id': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7f09cbd550b0>, 'key': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7f09cbd55cb0>, 'time': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7f09cbd55e30>, 'val': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7f09cbd55950>}

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 0x7f09c98c8f50; 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 0x7f09cbaf1fb0>, 'date_joined': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7f09c98f9a10>, 'dbgroups': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7f09cbb4ccb0>, 'dbnodes': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7f09cc76c830>, 'email': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7f09c98f9350>, 'first_name': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7f09c98f95f0>, 'id': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7f09c98f9230>, 'institution': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7f09c98f9770>, 'is_active': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7f09c98f98f0>, 'is_staff': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7f09c98f9830>, 'is_superuser': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7f09c98f94d0>, 'last_login': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7f09c98f9950>, 'last_name': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7f09c98f96b0>, 'password': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7f09c98f9410>}

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 0x7f09c9850ad0; 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 0x7f09c98f5e90>, 'data': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7f09c98f5c50>, 'description': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7f09c9903770>, 'id': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7f09c98f5d10>, 'label': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7f09c99036b0>, 'lastsyncedversion': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7f09c99038f0>, 'module': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7f09c9903350>, 'module_class': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7f09c9903410>, 'mtime': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7f09c98f5fb0>, 'nodeversion': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7f09c9903830>, 'parent_workflow_step': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7f09cbbfb1d0>, 'report': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7f09c9903a70>, 'script_md5': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7f09c9903590>, 'script_path': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7f09c99034d0>, 'state': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7f09c99039b0>, 'steps': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7f09cbb738f0>, 'user': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7f09c98f59b0>, 'user_id': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7f09c99035f0>, 'uuid': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7f09c98f5dd0>}

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 0x7f09c985d610; 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 0x7f09c9903110>, 'aiida_obj_id': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7f09c986a170>, 'data_type': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7f09c9903ef0>, 'id': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7f09c9903290>, 'json_value': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7f09c986a0b0>, 'name': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7f09c9903d70>, 'parent': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7f09cbb73830>, 'parent_id': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7f09c9903cb0>, 'time': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7f09c9903e30>, 'value_type': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7f09c9903fb0>}

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 0x7f09c986fb10; 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 0x7f09c986a5f0>, 'id': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7f09c986a770>, 'name': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7f09c986a9b0>, 'nextcall': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7f09c986ab30>, 'parent': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7f09c986a3b0>, 'parent_id': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7f09c986a830>, 'state': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7f09c986abf0>, 'sub_workflows': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7f09c986a6b0>, 'time': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7f09c986aa70>, 'user': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7f09c986a530>, 'user_id': <sqlalchemy.orm.attributes.InstrumentedAttribute object at 0x7f09c986a8f0>}

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