aiida.orm.utils.builders package

Submodules

Manage code objects with lazy loading of the db env

class aiida.orm.utils.builders.code.CodeBuilder(**kwargs)

Bases: object

Build a code with validation of attribute combinations

class CodeType

Bases: enum.Enum

ON_COMPUTER = 'on computer'

STORE_AND_UPLOAD = 'store in the db and upload'

__module__ = 'aiida.orm.utils.builders.code'

exception CodeValidationError(msg)

Bases: exceptions.Exception

A CodeBuilder instance may raise this

• when asked to instanciate a code with missing or invalid code attributes
• when asked for a code attibute that has not been set yet

__init__(msg)

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

__module__ = 'aiida.orm.utils.builders.code'

__repr__() <==> repr(x)

__str__() <==> str(x)

__weakref__

list of weak references to the object (if defined)

__dict__ = dict_proxy({'__module__': 'aiida.orm.utils.builders.code', '_set_code_attr': <function _set_code_attr>, 'CodeValidationError': <class 'aiida.orm.utils.builders.code.CodeValidationError'>, 'validate_installed': <function validate_installed>, '_get_and_count': <function _get_and_count>, '_get': <function _get>, 'CodeType': <enum 'CodeType'>, '__dict__': <attribute '__dict__' of 'CodeBuilder' objects>, 'validate': <function validate>, '__weakref__': <attribute '__weakref__' of 'CodeBuilder' objects>, 'from_code': <staticmethod object>, '__init__': <function __init__>, 'validate_upload': <function validate_upload>, 'is_local': <function is_local>, '__setattr__': <function __setattr__>, '__getattr__': <function __getattr__>, 'validate_code_type': <function validate_code_type>, 'new': <function new>, '__doc__': 'Build a code with validation of attribute combinations', 'get_code_spec': <staticmethod object>})

__getattr__(key)

Access code attributes used to build the code

__init__(**kwargs)

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

__module__ = 'aiida.orm.utils.builders.code'

__setattr__(key, value)

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

__weakref__

list of weak references to the object (if defined)

_get(key)

Return a spec, or None if not defined

Parameters:key – name of a code spec

_get_and_count(key, used)

Return a spec, or raise if not defined. Moreover, add the key to the ‘used’ dict.

Parameters:

• key – name of a code spec
• used – should be a set of keys that you want to track. key will be added to this set if the value exists in the spec and can be retrieved.

_set_code_attr(key, value)

Set a code attribute, if it passes validation.

Checks compatibility with other code attributes.

static from_code(code)

Create CodeBuilder from existing code instance.

See also get_code_spec()

static get_code_spec(code)

Get code attributes from existing code instance.

These attributes can be used to create a new CodeBuilder:

spec = CodeBuilder.get_code_spec(old_code)
builder = CodeBuilder(**spec)
new_code = builder.new()

is_local()

Analogous to Code.is_local()

new(**kwargs)

Build and return a new code instance (not stored)

validate(raise_error=True)

validate_code_type()

Make sure the code type is set correctly

validate_installed()

If the code is on-computer, catch invalid store-and-upload attributes

validate_upload()

If the code is stored and uploaded, catch invalid on-computer attributes

Manage computer objects with lazy loading of the db env

class aiida.orm.utils.builders.computer.ComputerBuilder(**kwargs)

Bases: object

Build a computer with validation of attribute combinations

exception ComputerValidationError(msg)

Bases: exceptions.Exception

A ComputerBuilder instance may raise this

• when asked to instanciate a code with missing or invalid computer attributes
• when asked for a computer attibute that has not been set yet

__init__(msg)

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

__module__ = 'aiida.orm.utils.builders.computer'

__repr__() <==> repr(x)

__str__() <==> str(x)

__weakref__

list of weak references to the object (if defined)

__dict__ = dict_proxy({'__module__': 'aiida.orm.utils.builders.computer', 'get_computer_spec': <staticmethod object>, '_get_and_count': <function _get_and_count>, '_set_computer_attr': <function _set_computer_attr>, '__getattr__': <function __getattr__>, 'from_computer': <staticmethod object>, '_get': <function _get>, 'ComputerValidationError': <class 'aiida.orm.utils.builders.computer.ComputerValidationError'>, '__dict__': <attribute '__dict__' of 'ComputerBuilder' objects>, 'new': <function new>, 'validate': <function validate>, '__setattr__': <function __setattr__>, '__weakref__': <attribute '__weakref__' of 'ComputerBuilder' objects>, '__doc__': 'Build a computer with validation of attribute combinations', '__init__': <function __init__>})

__getattr__(key)

Access computer attributes used to build the computer

__init__(**kwargs)

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

__module__ = 'aiida.orm.utils.builders.computer'

__setattr__(key, value)

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

__weakref__

list of weak references to the object (if defined)

_get(key)

Return a spec, or None if not defined

Parameters:key – name of a computer spec

_get_and_count(key, used)

Return a spec, or raise if not defined. Moreover, add the key to the ‘used’ dict.

Parameters:

• key – name of a computer spec
• used – should be a set of keys that you want to track. key will be added to this set if the value exists in the spec and can be retrieved.

_set_computer_attr(key, value)

Set a computer attribute if it passes validation.

static from_computer(computer)

Create ComputerBuilder from existing computer instance.

See also get_computer_spec()

static get_computer_spec(computer)

Get computer attributes from existing computer instance.

These attributes can be used to create a new ComputerBuilder:

spec = ComputerBuilder.get_computer_spec(old_computer)
builder = ComputerBuilder(**spec)
new_computer = builder.new()

new(**kwargs)

Build and return a new computer instance (not stored)

validate(raise_error=True)

Validate the computer options