aiida.backends.djsite.querybuilder_django package

Submodules

The dummy model encodes the model defined by django in backends.djsite using SQLAlchemy. This is done to query the database with more performant ORM of SA.

class aiida.backends.djsite.querybuilder_django.dummy_model.DbAttribute(**kwargs)

Bases: sqlalchemy.ext.declarative.api.Base

__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 0x7f20c7c33350; DbAttribute>

__module__ = 'aiida.backends.djsite.querybuilder_django.dummy_model'

__table__ = Table('db_dbattribute', MetaData(bind=None), Column('id', Integer(), table=<db_dbattribute>, primary_key=True, nullable=False), Column('dbnode_id', Integer(), ForeignKey('db_dbnode.id'), table=<db_dbattribute>), Column('key', String(length=255), table=<db_dbattribute>), Column('datatype', String(length=10), table=<db_dbattribute>), Column('tval', String(), table=<db_dbattribute>, default=ColumnDefault('')), Column('fval', Float(), table=<db_dbattribute>), Column('ival', Integer(), table=<db_dbattribute>), Column('bval', Boolean(), table=<db_dbattribute>), Column('dval', DateTime(), table=<db_dbattribute>), schema=None)

__tablename__ = 'db_dbattribute'

_sa_class_manager = {'bval': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'datatype': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'dbnode_id': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'dval': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'fval': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'id': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'ival': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'key': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'tval': <sqlalchemy.orm.attributes.InstrumentedAttribute object>}

bval

datatype

dbnode_id

dval

fval

id

ival

key

tval

class aiida.backends.djsite.querybuilder_django.dummy_model.DbCalcState(**kwargs)

Bases: sqlalchemy.ext.declarative.api.Base

__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 0x7f20c7b48450; DbCalcState>

__module__ = 'aiida.backends.djsite.querybuilder_django.dummy_model'

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

__table_args__ = (UniqueConstraint(Column('dbnode_id', Integer(), ForeignKey('db_dbnode.id'), table=<db_dbcalcstate>), Column('state', String(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.djsite.querybuilder_django.dummy_model.DbComputer(**kwargs)

Bases: sqlalchemy.ext.declarative.api.Base

__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 0x7f20c7b654d0; DbComputer>

__module__ = 'aiida.backends.djsite.querybuilder_django.dummy_model'

__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', String(length=255), table=<db_dbcomputer>), Column('metadata', String(length=255), table=<db_dbcomputer>, default=ColumnDefault('{}')), schema=None)

__tablename__ = 'db_dbcomputer'

_metadata

_sa_class_manager = {'_metadata': <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>}

description

enabled

get_aiida_class()

hostname

id

name

scheduler_type

transport_params

transport_type

uuid

class aiida.backends.djsite.querybuilder_django.dummy_model.DbExtra(**kwargs)

Bases: sqlalchemy.ext.declarative.api.Base

__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 0x7f20c7ce9f90; DbExtra>

__module__ = 'aiida.backends.djsite.querybuilder_django.dummy_model'

__table__ = Table('db_dbextra', MetaData(bind=None), Column('id', Integer(), table=<db_dbextra>, primary_key=True, nullable=False), Column('dbnode_id', Integer(), ForeignKey('db_dbnode.id'), table=<db_dbextra>), Column('key', String(length=255), table=<db_dbextra>), Column('datatype', String(length=10), table=<db_dbextra>), Column('tval', String(), table=<db_dbextra>, default=ColumnDefault('')), Column('fval', Float(), table=<db_dbextra>), Column('ival', Integer(), table=<db_dbextra>), Column('bval', Boolean(), table=<db_dbextra>), Column('dval', DateTime(), table=<db_dbextra>), schema=None)

__tablename__ = 'db_dbextra'

_sa_class_manager = {'bval': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'datatype': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'dbnode_id': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'dval': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'fval': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'id': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'ival': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'key': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'tval': <sqlalchemy.orm.attributes.InstrumentedAttribute object>}

bval

datatype

dbnode_id

dval

fval

id

ival

key

tval

class aiida.backends.djsite.querybuilder_django.dummy_model.DbGroup(**kwargs)

Bases: sqlalchemy.ext.declarative.api.Base

__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 0x7f20c7b753d0; DbGroup>

__module__ = 'aiida.backends.djsite.querybuilder_django.dummy_model'

__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

time

type

user

user_id

uuid

class aiida.backends.djsite.querybuilder_django.dummy_model.DbLink(**kwargs)

Bases: sqlalchemy.ext.declarative.api.Base

__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 0x7f20c7bf2c10; DbLink>

__module__ = 'aiida.backends.djsite.querybuilder_django.dummy_model'

__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('type', String(length=255), table=<db_dblink>), Column('label', String(length=255), table=<db_dblink>, nullable=False), schema=None)

__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.djsite.querybuilder_django.dummy_model.DbNode(**kwargs)

Bases: sqlalchemy.ext.declarative.api.Base

__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 0x7f20c7b8a3d0; DbNode>

__module__ = 'aiida.backends.djsite.querybuilder_django.dummy_model'

__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>), Column('description', Text(), table=<db_dbnode>), 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('dbcomputer_id', Integer(), ForeignKey('db_dbcomputer.id'), table=<db_dbnode>), Column('user_id', Integer(), ForeignKey('db_dbuser.id'), table=<db_dbnode>, nullable=False), Column('public', Boolean(), table=<db_dbnode>, default=ColumnDefault(False)), Column('nodeversion', Integer(), table=<db_dbnode>, default=ColumnDefault(1)), schema=None)

__tablename__ = 'db_dbnode'

_sa_class_manager = {'attributes': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'ctime': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'dbcomputer': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'dbcomputer_id': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'description': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'extras': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'id': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'label': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'mtime': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'nodeversion': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'outputs': <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>}

attributes

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

ctime

dbcomputer

dbcomputer_id

description

extras

get_aiida_class()

Return the corresponding instance of Node() or a subclass return by the plugin loader.

Todo

The behavior is quite pathetic, creating a django DbNode instance to instantiate the aiida instance. These means that every time you load Aiida instances with the QueryBuilder when using Django as a backend, three instances are instantiated for every Aiida instance you load! Could be fixed by allowing DbNode from the dummy nodel to be passed to AiidaNode’s __init__.

Returns:An instance of the plugin class

id

label

mtime

nodeversion

outputs

public

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

type

user

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

user_id

uuid

class aiida.backends.djsite.querybuilder_django.dummy_model.DbUser(**kwargs)

Bases: sqlalchemy.ext.declarative.api.Base

__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 0x7f20c7b6e150; DbUser>

__module__ = 'aiida.backends.djsite.querybuilder_django.dummy_model'

__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('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 = {'date_joined': <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>, 'last_login': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'last_name': <sqlalchemy.orm.attributes.InstrumentedAttribute object>, 'password': <sqlalchemy.orm.attributes.InstrumentedAttribute object>}

date_joined

email

first_name

get_aiida_class()

id

institution

is_active

is_staff

last_login

last_name

password

aiida.backends.djsite.querybuilder_django.dummy_model.get_aldjemy_session()

Use aldjemy to make a session

class aiida.backends.djsite.querybuilder_django.querybuilder_django.QueryBuilderImplDjango(*args, **kwargs)

Bases: aiida.backends.general.querybuilder_interface.QueryBuilderInterface

AiidaComputer

AiidaGroup

AiidaNode

AiidaUser

Computer

Group

Link

Node

User

__abstractmethods__ = frozenset([])

__init__(*args, **kwargs)

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

__module__ = 'aiida.backends.djsite.querybuilder_django.querybuilder_django'

_abc_cache = <_weakrefset.WeakSet object>

_abc_negative_cache = <_weakrefset.WeakSet object>

_abc_negative_cache_version = 40

_abc_registry = <_weakrefset.WeakSet object>

count(query)

Returns:the number of results

first(query)

Executes query in the backend asking for one instance.

Returns:One row of aiida results

get_aiida_res(key, res)

Some instance returned by ORM (django or SA) need to be converted to Aiida instances (eg nodes)

Parameters:

• res – the result returned by the query
• key – the key that this entry would be return with

Returns:

an aiida-compatible instance

get_filter_expr(operator, value, attr_key, is_attribute, alias=None, column=None, column_name=None)

Applies a filter on the alias given. Expects the alias of the ORM-class on which to filter, and filter_spec. Filter_spec contains the specification on the filter. Expects:

Parameters:

• operator – The operator to apply, see below for further details
• value – The value for the right side of the expression, the value you want to compare with.
• path – The path leading to the value
• attr_key – Boolean, whether the value is in a json-column, or in an attribute like table.

Implemented and valid operators:

• for any type: * == (compare single value, eg: ‘==’:5.0) * in (compare whether in list, eg: ‘in’:[5, 6, 34]

• for floats and integers:

  • >
  • <
  • <=
  • >=

• for strings:

  • like (case - sensitive), for example ‘like’:’node.calc.%’ will match node.calc.relax and node.calc.RELAX and node.calc. but not node.CALC.relax
  • ilike (case - unsensitive) will also match node.CaLc.relax in the above example

  Note

  The character % is a reserved special character in SQL, and acts as a wildcard. If you specifically want to capture a % in the string, use: _%

• for arrays and dictionaries (only for the SQLAlchemy implementation):

  • contains: pass a list with all the items that the array should contain, or that should be among the keys, eg: ‘contains’: [‘N’, ‘H’])
  • has_key: pass an element that the list has to contain or that has to be a key, eg: ‘has_key’:’N’)

• for arrays only (SQLAlchemy version):

  • of_length
  • longer
  • shorter

All the above filters invoke a negation of the expression if preceded by ~:

# first example:
filter_spec = {
    'name' : {
        '~in':[
            'halle',
            'lujah'
        ]
    } # Name not 'halle' or 'lujah'
}

# second example:
filter_spec =  {
    'id' : {
        '~==': 2
    }
} # id is not 2

get_filter_expr_from_attributes(operator, value, attr_key, column=None, column_name=None, alias=None)

A classmethod that returns an valid SQLAlchemy expression.

Parameters:

• operator – The operator provided by the user (‘==’, ‘>’, …)
• value – The value to compare with, e.g. (5.0, ‘foo’, [‘a’,’b’])
• attr_key (str) – The path to that attribute as a tuple of values. I.e. if that attribute I want to filter by is the 2nd element in a list stored under the key ‘mylist’, this is (‘mylist’, ‘2’).
• column – Optional, an instance of sqlalchemy.orm.attributes.InstrumentedAttribute or
• column_name (str) – The name of the column, and the backend should get the InstrumentedAttribute.
• alias – The aliased class.

Returns:

An instance of sqlalchemy.sql.elements.BinaryExpression

get_filter_expr_from_column(operator, value, column)

get_ormclass(cls, ormclasstype)

Return the valid ormclass for the connections

get_projectable_attribute(alias, column_name, attrpath, cast=None, **kwargs)

get_session()

Returns:a valid session, an instance of sqlalchemy.orm.session.Session

iterall(query, batch_size, tag_to_index_dict)

Returns:An iterator over all the results of a list of lists.

iterdict(query, batch_size, tag_to_projected_entity_dict)

Returns:An iterator over all the results of a list of dictionaries.

modify_expansions(alias, expansions)

For the Django schema, we have as additioanl expansions ‘attributes’ and ‘extras’

table_groups_nodes

yield_per(query, batch_size)

Parameters:count – Number of rows to yield per step

Yields count rows at a time

Returns:a generator