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 0x7f20c6fea5d0; 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>, '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

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 0x7f20c6ff33d0; 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>, '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

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

Bases: sqlalchemy.ext.declarative.api.Model

__init__(*args, **kwargs)

__mapper__ = <Mapper at 0x7f20c6ff3e10; 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>, 'authinfos': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'dbnodes': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'description': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'enabled': <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_params': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'transport_type': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'uuid': <sqlalchemy.orm.attributes.InstrumentedAttribute object>}

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 0x7f20c6f901d0; 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>, 'description': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'id': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'name': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'time': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, '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>}

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 0x7f20c6f90910; 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>, 'key': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'owner': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'timeout': <sqlalchemy.orm.attributes.InstrumentedAttribute object>}

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 0x7f20c6fa30d0; 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>, 'id': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'levelname': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'loggername': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'message': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'objname': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'objpk': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'time': <sqlalchemy.orm.attributes.InstrumentedAttribute object>}

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 0x7f20c6fc1510; 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>, 'dbnode_id': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'id': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'state': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'time': <sqlalchemy.orm.attributes.InstrumentedAttribute object>}

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 0x7f20c6f26190; 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>, '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)

Bases: sqlalchemy.ext.declarative.api.Model

__init__(*args, **kwargs)

__mapper__ = <Mapper at 0x7f20c6f0e490; 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>, '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>, 'dbstates': <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>, 'nodeversion': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'outputs_q': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'public': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, '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>, 'workflow_step': <sqlalchemy.orm.attributes.InstrumentedAttribute object>}

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 0x7f20d55eb390; 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>, '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, 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 0x7f20c6fb66d0; 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>, 'date_joined': <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>, 'is_active': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'is_staff': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'is_superuser': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'last_login': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'last_name': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'password': <sqlalchemy.orm.attributes.InstrumentedAttribute object>}

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 0x7f20c6f3b290; 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>, 'data': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'description': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'id': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'label': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'lastsyncedversion': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'module': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'module_class': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'mtime': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'nodeversion': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'parent_workflow_step': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'report': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'script_md5': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'script_path': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'state': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'steps': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'user': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'user_id': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'uuid': <sqlalchemy.orm.attributes.InstrumentedAttribute object>}

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 0x7f20c6f3bd90; 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>, 'aiida_obj_id': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'data_type': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'id': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'json_value': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'name': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'parent': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'parent_id': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'time': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'value_type': <sqlalchemy.orm.attributes.InstrumentedAttribute object>}

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 0x7f20c6edc290; 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>, 'id': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'name': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'nextcall': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'parent': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'parent_id': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'state': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'sub_workflows': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'time': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'user': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'user_id': <sqlalchemy.orm.attributes.InstrumentedAttribute object>}

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