aiida.backends.sqlalchemy.models package

Module to define the database models for the SqlAlchemy backend.

Submodules

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

Bases: sqlalchemy.ext.declarative.api.Model

__init__(*args, **kwargs)

__mapper__ = <Mapper at 0x7ffba80e1bd0; 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(astext_type=Text()), table=<db_dbauthinfo>), Column('auth_params', JSONB(astext_type=Text()), table=<db_dbauthinfo>), Column('enabled', Boolean(), table=<db_dbauthinfo>, default=ColumnDefault(True)), schema=None)

__table_args__ = (UniqueConstraint(Column('aiidauser_id', Integer(), ForeignKey('db_dbuser.id'), table=<db_dbauthinfo>), Column('dbcomputer_id', Integer(), ForeignKey('db_dbcomputer.id'), table=<db_dbauthinfo>)),)

__tablename__ = 'db_dbauthinfo'

_metadata

_sa_class_manager = {'_metadata': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'aiidauser': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'aiidauser_id': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'auth_params': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'dbcomputer': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'dbcomputer_id': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'enabled': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'id': <sqlalchemy.orm.attributes.InstrumentedAttribute object>}

aiidauser

aiidauser_id

auth_params

dbcomputer

dbcomputer_id

enabled

id

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)

Emulate the behavior of Django’s delete() method

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

query = None

save(commit=True)

Emulate the behavior of Django’s save() method

Parameters:commit – whether to do a commit or just add to the session Returns:the SQLAlchemy instance

session

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(*args, **kwargs)

Bases: sqlalchemy.ext.declarative.api.Model

__init__(*args, **kwargs)

__mapper__ = <Mapper at 0x7ffba8278550; 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 get_new_uuid>)), Column('dbnode_id', Integer(), ForeignKey('db_dbnode.id'), table=<db_dbcomment>), Column('ctime', DateTime(timezone=True), table=<db_dbcomment>, default=ColumnDefault(<function now>)), Column('mtime', DateTime(timezone=True), table=<db_dbcomment>, onupdate=ColumnDefault(<function now>), default=ColumnDefault(<function now>)), Column('user_id', Integer(), ForeignKey('db_dbuser.id'), table=<db_dbcomment>), Column('content', Text(), table=<db_dbcomment>), schema=None)

__tablename__ = 'db_dbcomment'

_sa_class_manager = {'content': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'ctime': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'dbnode': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'dbnode_id': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'id': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'mtime': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'user': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'user_id': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'uuid': <sqlalchemy.orm.attributes.InstrumentedAttribute object>}

content

ctime

dbnode

dbnode_id

id

mtime

user

user_id

uuid

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

Bases: sqlalchemy.ext.declarative.api.Model

__init__(*args, **kwargs)

__mapper__ = <Mapper at 0x7ffba7da1950; 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 get_new_uuid>)), Column('name', String(length=255), table=<db_dbcomputer>, nullable=False), Column('hostname', String(length=255), table=<db_dbcomputer>), Column('description', Text(), table=<db_dbcomputer>), Column('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(astext_type=Text()), table=<db_dbcomputer>), Column('metadata', JSONB(astext_type=Text()), table=<db_dbcomputer>), schema=None)

__tablename__ = 'db_dbcomputer'

_metadata

_sa_class_manager = {'_metadata': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'authinfos': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'dbnodes': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'description': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, '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

classmethod get_dbcomputer(computer)

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

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 0x7ffba7ed2150; 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 get_new_uuid>)), Column('label', String(length=255), table=<db_dbgroup>), Column('type_string', String(length=255), table=<db_dbgroup>, default=ColumnDefault('')), Column('time', DateTime(timezone=True), table=<db_dbgroup>, default=ColumnDefault(<function now>)), Column('description', Text(), table=<db_dbgroup>), Column('user_id', Integer(), ForeignKey('db_dbuser.id'), table=<db_dbgroup>), schema=None)

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

__tablename__ = 'db_dbgroup'

_sa_class_manager = {'dbnodes': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'description': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'id': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'label': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'time': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'type_string': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'user': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'user_id': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'uuid': <sqlalchemy.orm.attributes.InstrumentedAttribute object>}

dbnodes

description

id

label

pk

time

type_string

user

user_id

uuid

class aiida.backends.sqlalchemy.models.log.DbLog(time, loggername, levelname, dbnode_id, uuid=None, message=None, metadata=None)

Bases: sqlalchemy.ext.declarative.api.Model

__init__(time, loggername, levelname, dbnode_id, uuid=None, message=None, metadata=None)

__mapper__ = <Mapper at 0x7ffba74b5750; 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('uuid', UUID(as_uuid=True), table=<db_dblog>, default=ColumnDefault(<function get_new_uuid>)), Column('time', DateTime(timezone=True), table=<db_dblog>, default=ColumnDefault(<function now>)), Column('loggername', String(length=255), table=<db_dblog>), Column('levelname', String(length=255), table=<db_dblog>), Column('dbnode_id', Integer(), ForeignKey('db_dbnode.id'), table=<db_dblog>, nullable=False), Column('message', Text(), table=<db_dblog>), Column('metadata', JSONB(astext_type=Text()), table=<db_dblog>), schema=None)

__tablename__ = 'db_dblog'

_metadata

_sa_class_manager = {'_metadata': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'dbnode': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'dbnode_id': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'id': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'levelname': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'loggername': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'message': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'time': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'uuid': <sqlalchemy.orm.attributes.InstrumentedAttribute object>}

dbnode

dbnode_id

id

levelname

loggername

message

time

uuid

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 0x7ffba75420d0; 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 0x7ffba7300890; 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 get_new_uuid>)), Column('node_type', String(length=255), table=<db_dbnode>), Column('process_type', String(length=255), table=<db_dbnode>), Column('label', String(length=255), table=<db_dbnode>, default=ColumnDefault('')), Column('description', Text(), table=<db_dbnode>, default=ColumnDefault('')), Column('ctime', DateTime(timezone=True), table=<db_dbnode>, default=ColumnDefault(<function now>)), Column('mtime', DateTime(timezone=True), table=<db_dbnode>, onupdate=ColumnDefault(<function now>), default=ColumnDefault(<function now>)), Column('nodeversion', Integer(), table=<db_dbnode>, default=ColumnDefault(1)), Column('public', Boolean(), table=<db_dbnode>, default=ColumnDefault(False)), Column('attributes', JSONB(astext_type=Text()), table=<db_dbnode>), Column('extras', JSONB(astext_type=Text()), table=<db_dbnode>), Column('dbcomputer_id', Integer(), ForeignKey('db_dbcomputer.id'), table=<db_dbnode>), Column('user_id', Integer(), ForeignKey('db_dbuser.id'), table=<db_dbnode>, nullable=False), schema=None)

__tablename__ = 'db_dbnode'

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>, 'dblogs': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'description': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'extras': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'id': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'inputs_q': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'label': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'mtime': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'node_type': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'nodeversion': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'outputs_q': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'process_type': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'public': <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)

attributes

computer_name

Returns: the name of the computer at a class level (i.e. in the database)

ctime

dbcomments

dbcomputer

dbcomputer_id

dbgroups

dblogs

del_attr(key)

del_extra(key)

description

extras

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

node_type

nodeversion

outputs

outputs_q

pk

process_type

public

reset_attributes(attributes)

reset_extras(new_extras)

set_attr(key, value)

set_attributes(attributes)

set_extra(key, value)

set_extras(extras)

user

user_email

Returns: the email of the user at a class level (i.e. in the database)

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 0x7ffba75ffed0; 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(astext_type=Text()), table=<db_dbsetting>, default=ColumnDefault({})), Column('description', String(length=255), table=<db_dbsetting>, nullable=False, default=ColumnDefault('')), Column('time', DateTime(timezone=True), table=<db_dbsetting>, onupdate=ColumnDefault(<function now>), default=ColumnDefault(<UTC>)), schema=None)

__table_args__ = (UniqueConstraint(Column('key', String(length=255), table=<db_dbsetting>, nullable=False)),)

__tablename__ = 'db_dbsetting'

_sa_class_manager = {'description': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'id': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'key': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'time': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'val': <sqlalchemy.orm.attributes.InstrumentedAttribute object>}

classmethod del_value(key, 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 0x7ffba747e310; 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 now>)), Column('date_joined', DateTime(timezone=True), table=<db_dbuser>, default=ColumnDefault(<function now>)), 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

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 aiida.common.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:aiida.common.ValidationError – if the key is not valid

Issue 2380 will take care of dropping this model, which will have to be accompanied by a migration.

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

Bases: sqlalchemy.ext.declarative.api.Model

__init__(*args, **kwargs)

__mapper__ = <Mapper at 0x7ffba7439690; 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 get_new_uuid>)), Column('ctime', DateTime(timezone=True), table=<db_dbworkflow>, default=ColumnDefault(<function now>)), Column('mtime', DateTime(timezone=True), table=<db_dbworkflow>, onupdate=ColumnDefault(<function now>), default=ColumnDefault(<function now>)), 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_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 0x7ffba743b290; 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 now>)), 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 0x7ffba745f890; 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 now>)), 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

class aiida.backends.sqlalchemy.models.workflow.Enumerate

Bases: frozenset

Custom implementation of enum.Enum.

__delattr__(name)

x.__delattr__(‘name’) <==> del x.name

__dict__ = dict_proxy({'__module__': 'aiida.backends.sqlalchemy.models.workflow', '__setattr__': <function __setattr__>, '__getattr__': <function __getattr__>, '__delattr__': <function __delattr__>, '__dict__': <attribute '__dict__' of 'Enumerate' objects>, '__doc__': 'Custom implementation of enum.Enum.'})

__getattr__(name)

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

__setattr__(name, value)

x.__setattr__(‘name’, value) <==> x.name = value

class aiida.backends.sqlalchemy.models.workflow.WorkflowDataType

Bases: aiida.backends.sqlalchemy.models.workflow.Enumerate

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

class aiida.backends.sqlalchemy.models.workflow.WorkflowDataValueType

Bases: aiida.backends.sqlalchemy.models.workflow.Enumerate

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

class aiida.backends.sqlalchemy.models.workflow.WorkflowState

Bases: aiida.backends.sqlalchemy.models.workflow.Enumerate

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