aiida.orm.utils package¶
Utilities related to the ORM.
-
aiida.orm.utils.
load_code
(identifier=None, pk=None, uuid=None, label=None, sub_classes=None, query_with_dashes=True)[source]¶ Load a Code instance by one of its identifiers: pk, uuid or label
If the type of the identifier is unknown simply pass it without a keyword and the loader will attempt to automatically infer the type.
- Parameters
identifier – pk (integer), uuid (string) or label (string) of a Code
pk – pk of a Code
uuid – uuid of a Code, or the beginning of the uuid
label – label of a Code
sub_classes – an optional tuple of orm classes to narrow the queryset. Each class should be a strict sub class of the ORM class of the given entity loader.
query_with_dashes (bool) – allow to query for a uuid with dashes
- Returns
the Code instance
- Raises
ValueError – if none or more than one of the identifiers are supplied
TypeError – if the provided identifier has the wrong type
aiida.common.NotExistent – if no matching Code is found
aiida.common.MultipleObjectsError – if more than one Code was found
-
aiida.orm.utils.
load_computer
(identifier=None, pk=None, uuid=None, label=None, sub_classes=None, query_with_dashes=True)[source]¶ Load a Computer instance by one of its identifiers: pk, uuid or label
If the type of the identifier is unknown simply pass it without a keyword and the loader will attempt to automatically infer the type.
- Parameters
identifier – pk (integer), uuid (string) or label (string) of a Computer
pk – pk of a Computer
uuid – uuid of a Computer, or the beginning of the uuid
label – label of a Computer
sub_classes – an optional tuple of orm classes to narrow the queryset. Each class should be a strict sub class of the ORM class of the given entity loader.
query_with_dashes (bool) – allow to query for a uuid with dashes
- Returns
the Computer instance
- Raises
ValueError – if none or more than one of the identifiers are supplied
TypeError – if the provided identifier has the wrong type
aiida.common.NotExistent – if no matching Computer is found
aiida.common.MultipleObjectsError – if more than one Computer was found
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aiida.orm.utils.
load_group
(identifier=None, pk=None, uuid=None, label=None, sub_classes=None, query_with_dashes=True)[source]¶ Load a Group instance by one of its identifiers: pk, uuid or label
If the type of the identifier is unknown simply pass it without a keyword and the loader will attempt to automatically infer the type.
- Parameters
identifier – pk (integer), uuid (string) or label (string) of a Group
pk – pk of a Group
uuid – uuid of a Group, or the beginning of the uuid
label – label of a Group
sub_classes – an optional tuple of orm classes to narrow the queryset. Each class should be a strict sub class of the ORM class of the given entity loader.
query_with_dashes (bool) – allow to query for a uuid with dashes
- Returns
the Group instance
- Raises
ValueError – if none or more than one of the identifiers are supplied
TypeError – if the provided identifier has the wrong type
aiida.common.NotExistent – if no matching Group is found
aiida.common.MultipleObjectsError – if more than one Group was found
-
aiida.orm.utils.
load_node
(identifier=None, pk=None, uuid=None, label=None, sub_classes=None, query_with_dashes=True)[source]¶ Load a node by one of its identifiers: pk or uuid. If the type of the identifier is unknown simply pass it without a keyword and the loader will attempt to infer the type
- Parameters
identifier – pk (integer) or uuid (string)
pk – pk of a node
uuid – uuid of a node, or the beginning of the uuid
label – label of a Node
sub_classes – an optional tuple of orm classes to narrow the queryset. Each class should be a strict sub class of the ORM class of the given entity loader.
query_with_dashes (bool) – allow to query for a uuid with dashes
- Returns
the node instance
- Raises
ValueError – if none or more than one of the identifiers are supplied
TypeError – if the provided identifier has the wrong type
aiida.common.NotExistent – if no matching Node is found
aiida.common.MultipleObjectsError – if more than one Node was found
Subpackages¶
Submodules¶
Utilities to operate on CalcJobNode instances.
-
class
aiida.orm.utils.calcjob.
CalcJobResultManager
(node)[source]¶ Bases:
object
Utility class to easily access the contents of the ‘default output’ node of a CalcJobNode.
A CalcJob process can mark one of its outputs as the ‘default output’. The default output node will always be returned by the CalcJob and will always be a Dict node.
If a CalcJob defines such a default output node, this utility class will simplify retrieving the result of said node through the CalcJobNode instance produced by the execution of the CalcJob.
The default results are only defined if the CalcJobNode has a process_type that can be successfully used to load the corresponding CalcJob process class and if its process spec defines a default_output_node. If both these conditions are met, the results are defined as the dictionary contained within the default output node.
-
__dict__
= mappingproxy({'__module__': 'aiida.orm.utils.calcjob', '__doc__': "\n Utility class to easily access the contents of the 'default output' node of a `CalcJobNode`.\n\n A `CalcJob` process can mark one of its outputs as the 'default output'. The default output node will always be\n returned by the `CalcJob` and will always be a `Dict` node.\n\n If a `CalcJob` defines such a default output node, this utility class will simplify retrieving the result of said\n node through the `CalcJobNode` instance produced by the execution of the `CalcJob`.\n\n The default results are only defined if the `CalcJobNode` has a `process_type` that can be successfully used\n to load the corresponding `CalcJob` process class *and* if its process spec defines a `default_output_node`.\n If both these conditions are met, the results are defined as the dictionary contained within the default\n output node.\n ", '__init__': <function CalcJobResultManager.__init__>, 'node': <property object>, '_load_results': <function CalcJobResultManager._load_results>, 'get_results': <function CalcJobResultManager.get_results>, '__dir__': <function CalcJobResultManager.__dir__>, '__iter__': <function CalcJobResultManager.__iter__>, '__getattr__': <function CalcJobResultManager.__getattr__>, '__getitem__': <function CalcJobResultManager.__getitem__>, '__dict__': <attribute '__dict__' of 'CalcJobResultManager' objects>, '__weakref__': <attribute '__weakref__' of 'CalcJobResultManager' objects>})¶
-
__getattr__
(name)[source]¶ Return an attribute from the results dictionary.
- Parameters
name – name of the result return
- Returns
value of the attribute
- Raises
AttributeError – if the results dictionary does not contain an attribute with the given name
-
__getitem__
(name)[source]¶ Return an attribute from the results dictionary.
- Parameters
name – name of the result return
- Returns
value of the attribute
- Raises
AttributeError – if the results dictionary does not contain an attribute with the given name
-
__init__
(node)[source]¶ Construct an instance of the CalcJobResultManager.
- Parameters
calc – the CalcJobNode instance.
-
__module__
= 'aiida.orm.utils.calcjob'¶
-
__weakref__
¶ list of weak references to the object (if defined)
-
_load_results
()[source]¶ Try to load the results for the CalcJobNode of this result manager.
- Raises
ValueError – if no default output node could be loaded
-
get_results
()[source]¶ Return the results dictionary of the default results node of the calculation node.
This property will lazily load the dictionary.
- Returns
the dictionary of the default result node
-
property
node
¶ Return the CalcJobNode associated with this result manager instance.
-
Utilities for dealing with links between nodes.
-
class
aiida.orm.utils.links.
LinkPair
(link_type, link_label)¶ Bases:
tuple
-
__getnewargs__
()¶ Return self as a plain tuple. Used by copy and pickle.
-
__module__
= 'aiida.orm.utils.links'¶
-
static
__new__
(_cls, link_type, link_label)¶ Create new instance of LinkPair(link_type, link_label)
-
__repr__
()¶ Return a nicely formatted representation string
-
__slots__
= ()¶
-
_asdict
()¶ Return a new OrderedDict which maps field names to their values.
-
_fields
= ('link_type', 'link_label')¶
-
_fields_defaults
= {}¶
-
classmethod
_make
(iterable)¶ Make a new LinkPair object from a sequence or iterable
-
_replace
(**kwds)¶ Return a new LinkPair object replacing specified fields with new values
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property
link_label
¶ Alias for field number 1
-
property
link_type
¶ Alias for field number 0
-
-
class
aiida.orm.utils.links.
LinkTriple
(node, link_type, link_label)¶ Bases:
tuple
-
__getnewargs__
()¶ Return self as a plain tuple. Used by copy and pickle.
-
__module__
= 'aiida.orm.utils.links'¶
-
static
__new__
(_cls, node, link_type, link_label)¶ Create new instance of LinkTriple(node, link_type, link_label)
-
__repr__
()¶ Return a nicely formatted representation string
-
__slots__
= ()¶
-
_asdict
()¶ Return a new OrderedDict which maps field names to their values.
-
_fields
= ('node', 'link_type', 'link_label')¶
-
_fields_defaults
= {}¶
-
classmethod
_make
(iterable)¶ Make a new LinkTriple object from a sequence or iterable
-
_replace
(**kwds)¶ Return a new LinkTriple object replacing specified fields with new values
-
property
link_label
¶ Alias for field number 2
-
property
link_type
¶ Alias for field number 1
-
property
node
¶ Alias for field number 0
-
-
class
aiida.orm.utils.links.
LinkManager
(link_triples)[source]¶ Bases:
object
Class to convert a list of LinkTriple tuples into an iterator.
It defines convenience methods to retrieve certain subsets of LinkTriple while checking for consistency. For example:
LinkManager.one(): returns the only entry in the list or it raises an exception LinkManager.first(): returns the first entry from the list LinkManager.all(): returns all entries from list
The methods all_nodes and all_link_labels are syntactic sugar wrappers around all to get a list of only the incoming nodes or link labels, respectively.
-
__dict__
= mappingproxy({'__module__': 'aiida.orm.utils.links', '__doc__': '\n Class to convert a list of LinkTriple tuples into an iterator.\n\n It defines convenience methods to retrieve certain subsets of LinkTriple while checking for consistency.\n For example::\n\n LinkManager.one(): returns the only entry in the list or it raises an exception\n LinkManager.first(): returns the first entry from the list\n LinkManager.all(): returns all entries from list\n\n The methods `all_nodes` and `all_link_labels` are syntactic sugar wrappers around `all` to get a list of only the\n incoming nodes or link labels, respectively.\n ', '__init__': <function LinkManager.__init__>, '__iter__': <function LinkManager.__iter__>, '__next__': <function LinkManager.__next__>, '__nonzero__': <function LinkManager.__nonzero__>, '__bool__': <function LinkManager.__bool__>, 'next': <function LinkManager.next>, 'one': <function LinkManager.one>, 'first': <function LinkManager.first>, 'all': <function LinkManager.all>, 'all_nodes': <function LinkManager.all_nodes>, 'all_link_pairs': <function LinkManager.all_link_pairs>, 'all_link_labels': <function LinkManager.all_link_labels>, 'get_node_by_label': <function LinkManager.get_node_by_label>, 'nested': <function LinkManager.nested>, '__dict__': <attribute '__dict__' of 'LinkManager' objects>, '__weakref__': <attribute '__weakref__' of 'LinkManager' objects>})¶
-
__iter__
()[source]¶ Return an iterator of LinkTriple instances.
- Returns
iterator of LinkTriple instances
-
__module__
= 'aiida.orm.utils.links'¶
-
__weakref__
¶ list of weak references to the object (if defined)
-
first
()[source]¶ Return the first entry from the iterator.
- Returns
LinkTriple instance or None if no entries were matched
-
get_node_by_label
(label)[source]¶ Return the node from list for given label.
- Returns
node that corresponds to the given label
- Raises
aiida.common.NotExistent – if the label is not present among the link_triples
-
nested
(sort=True)[source]¶ Construct (nested) dictionary of matched nodes that mirrors the original nesting of link namespaces.
Process input and output namespaces can be nested, however the link labels that represent them in the database have a flat hierarchy, and so the link labels are flattened representations of the nested namespaces. This function reconstructs the original node nesting based on the flattened links.
- Returns
dictionary of nested namespaces
- Raises
KeyError – if there are duplicate link labels in a namespace
-
-
aiida.orm.utils.links.
validate_link
(source, target, link_type, link_label)[source]¶ Validate adding a link of the given type and label from a given node to ourself.
This function will first validate the class types of the inputs and will subsequently validate whether a link of the specified type is allowed at all between the nodes types of the source and target.
Subsequently, the validity of the “indegree” and “outdegree” of the proposed link is validated, which means validating that the uniqueness constraints of the incoming links into the target node and the outgoing links from the source node are not violated. In AiiDA’s provenance graph each link type has one of the following three types of “degree” character:
* unique * unique pair * unique triple
Each degree character has a different unique constraint on its links, here defined for the indegree:
* unique: any target node, it can only have a single incoming link of this type, regardless of the link label. * unique pair: a node can have an infinite amount of incoming links of this type, as long as the labels within that sub set, are unique. In short, it is the link pair, i.e. the tuple of the link type and label, that has a uniquess constraint for the incoming links to a given node. * unique triple: a node can have an infinite amount of incoming links of this type, as long as the triple tuple of source node, link type and link label is unique. In other words, it is the link triple that has a uniqueness constraint for the incoming links.
The same holds for outdegree, but then it concerns outgoing links from the source node to the target node.
For illustration purposes, consider the following example provenance graphs that are considered legal, where WN, DN and CN represent a WorkflowNode, a DataNode and a CalculationNode, respectively:
1 2 3 ______ ______ ______ ______ ______ | | | | | | | | | | | WN | | DN | | DN | | WN | | WN | |______| |______| |______| |______| |______| | / | | | / a | / a a | | b a | / a _|___/ |___|_ _|___/ | | | | | | | CN | | CN | | DN | |______| |______| |______|
In example 1, the link uniqueness constraint is not violated because despite the labels having the same label a, their link types, CALL_CALC and INPUT_CALC, respectively, are different and their unique_pair indegree is not violated.
Similarly, in the second example, the constraint is not violated, because despite both links having the same link type INPUT_CALC, the have different labels, so the unique_pair indegree of the INPUT_CALC is not violated.
Finally, in the third example, we see two WorkflowNodes both returning the same DataNode and with the same label. Despite the two incoming links here having both the same type as well as the same label, the uniqueness constraint is not violated, because the indegree for RETURN links is unique_triple which means that the triple of source node and link type and label should be unique.
- Parameters
source – the node from which the link is coming
target – the node to which the link is going
link_type – the type of link
link_label – link label
- Raises
TypeError – if source or target is not a Node instance, or link_type is not a LinkType enum
ValueError – if the proposed link is invalid
Module with OrmEntityLoader and its sub classes that simplify loading entities through their identifiers.
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aiida.orm.utils.loaders.
get_loader
(orm_class)[source]¶ Return the correct OrmEntityLoader for the given orm class.
- Parameters
orm_class – the orm class
- Returns
a subclass of OrmEntityLoader
- Raises
ValueError – if no OrmEntityLoader subclass can be found for the given orm class
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class
aiida.orm.utils.loaders.
OrmEntityLoader
[source]¶ Bases:
object
Base class for entity loaders.
-
__abstractmethods__
= frozenset({'_get_query_builder_label_identifier'})¶
-
__dict__
= mappingproxy({'__module__': 'aiida.orm.utils.loaders', '__doc__': 'Base class for entity loaders.', 'label_ambiguity_breaker': '!', 'orm_base_class': <aiida.common.lang.classproperty object>, '_get_query_builder_label_identifier': <aiida.common.lang.abstractclassmethod object>, '_get_query_builder_id_identifier': <classmethod object>, '_get_query_builder_uuid_identifier': <classmethod object>, 'get_query_builder': <classmethod object>, 'get_options': <classmethod object>, 'load_entity': <classmethod object>, 'get_query_classes': <classmethod object>, 'infer_identifier_type': <classmethod object>, '__dict__': <attribute '__dict__' of 'OrmEntityLoader' objects>, '__weakref__': <attribute '__weakref__' of 'OrmEntityLoader' objects>, '__abstractmethods__': frozenset({'_get_query_builder_label_identifier'}), '_abc_impl': <_abc_data object>})¶
-
__module__
= 'aiida.orm.utils.loaders'¶
-
__weakref__
¶ list of weak references to the object (if defined)
-
_abc_impl
= <_abc_data object>¶
-
classmethod
_get_query_builder_id_identifier
(identifier, classes)[source]¶ Return the query builder instance that attempts to map the identifier onto an entity of the orm class, defined for this loader class, interpreting the identifier as an ID like identifier
- Parameters
identifier – the ID identifier
classes – a tuple of orm classes to which the identifier should be mapped
- Returns
the query builder instance
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abstract classmethod
_get_query_builder_label_identifier
(identifier, classes, operator='==', project='*')[source]¶ Return the query builder instance that attempts to map the identifier onto an entity of the orm class, defined for this loader class, interpreting the identifier as a LABEL like identifier
- Parameters
identifier – the LABEL identifier
classes – a tuple of orm classes to which the identifier should be mapped
operator – the operator to use in the query
project – the property or properties to project for entities matching the query
- Returns
the query builder instance
- Raises
ValueError – if the identifier is invalid
aiida.common.NotExistent – if the orm base class does not support a LABEL like identifier
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classmethod
_get_query_builder_uuid_identifier
(identifier, classes, query_with_dashes)[source]¶ Return the query builder instance that attempts to map the identifier onto an entity of the orm class, defined for this loader class, interpreting the identifier as a UUID like identifier
- Parameters
identifier – the UUID identifier
classes – a tuple of orm classes to which the identifier should be mapped
- Returns
the query builder instance
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classmethod
get_options
(incomplete, project='*')[source]¶ Return the list of entities that match the incomplete identifier.
Note
For the time being only LABEL auto-completion is supported so the identifier type is not inferred but hard-coded to be IdentifierType.LABEL
- Parameters
incomplete – the incomplete identifier
project – the field(s) to project for each entity that matches the incomplete identifier
- Returns
list of entities matching the incomplete identifier
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classmethod
get_query_builder
(identifier, identifier_type=None, sub_classes=None, query_with_dashes=True, operator='==', project='*')[source]¶ Return the query builder instance that attempts to map the identifier onto an entity of the orm class, defined for this loader class, inferring the identifier type if it is not defined.
- Parameters
identifier – the identifier
identifier_type – the type of the identifier
sub_classes – an optional tuple of orm classes, that should each be strict sub classes of the base orm class of the loader, that will narrow the queryset
operator – the operator to use in the query
project – the property or properties to project for entities matching the query
- Returns
the query builder instance and a dictionary of used query parameters
-
classmethod
get_query_classes
(sub_classes=None)[source]¶ Get the tuple of classes to be used for the entity query. If sub_classes is defined, each class will be validated by verifying that it is a sub class of the loader’s orm base class. Validate a tuple of classes if a user passes in a specific one when attempting to load an entity. Each class should be a sub class of the entity loader’s orm base class
- Parameters
sub_classes – an optional tuple of orm classes, that should each be strict sub classes of the base orm class of the loader, that will narrow the queryset
- Returns
the tuple of orm classes to be used for the entity query
- Raises
ValueError – if any of the classes are not a sub class of the entity loader’s orm base class
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classmethod
infer_identifier_type
(value)[source]¶ This method will attempt to automatically distinguish which identifier type is implied for the given value, if the value itself has no type from which it can be inferred.
The strategy is to first attempt to convert the value to an integer. If successful, it is assumed that the value represents an ID. If that fails, we attempt to interpret the value as a base 16 encoded integer, after having removed any dashes from the string. If that succeeds, it is most likely a UUID. If it seems to be neither an ID nor a UUID, it is assumed to be a LABEL like identifier.
With this approach there is the possibility for ambiguity. Since it is allowed to pass a partial UUID, it is possible that the partial UUID is also a valid ID. Likewise, a LABEL identifier might also be a valid ID, or a valid (partial) UUID. Fortunately, these ambiguities can be solved though:
ID/UUID: can always be solved by passing a partial UUID with at least one dash
ID/LABEL: appending an exclamation point ! to the identifier, will force LABEL interpretation
UUID/LABEL: appending an exclamation point ! to the identifier, will force LABEL interpretation
As one can see, the user will always be able to include at least one dash of the UUID identifier to prevent it from being interpreted as an ID. For the potential ambiguities in LABEL identifiers, we had to introduce a special marker to provide a surefire way of breaking any ambiguity that may arise. Adding an exclamation point will break the normal strategy and the identifier will directly be interpreted as a LABEL identifier.
- Parameters
value – the value of the identifier
- Returns
the identifier and identifier type
- Raises
ValueError – if the value is an invalid identifier
-
label_ambiguity_breaker
= '!'¶
-
classmethod
load_entity
(identifier, identifier_type=None, sub_classes=None, query_with_dashes=True)[source]¶ Load an entity that uniquely corresponds to the provided identifier of the identifier type.
- Parameters
identifier – the identifier
identifier_type – the type of the identifier
sub_classes – an optional tuple of orm classes, that should each be strict sub classes of the base orm class of the loader, that will narrow the queryset
- Returns
the loaded entity
- Raises
aiida.common.MultipleObjectsError – if the identifier maps onto multiple entities
aiida.common.NotExistent – if the identifier maps onto not a single entity
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orm_base_class
¶ A class that, when used as a decorator, works as if the two decorators @property and @classmethod where applied together (i.e., the object works as a property, both for the Class and for any of its instance; and is called with the class cls rather than with the instance as its first argument).
-
-
class
aiida.orm.utils.loaders.
CalculationEntityLoader
[source]¶ Bases:
aiida.orm.utils.loaders.OrmEntityLoader
Loader for the Calculation entity and sub classes.
-
__abstractmethods__
= frozenset({})¶
-
__module__
= 'aiida.orm.utils.loaders'¶
-
_abc_impl
= <_abc_data object>¶
-
classmethod
_get_query_builder_label_identifier
(identifier, classes, operator='==', project='*')[source]¶ Return the query builder instance that attempts to map the identifier onto an entity of the orm class, defined for this loader class, interpreting the identifier as a LABEL like identifier
- Parameters
identifier – the LABEL identifier
classes – a tuple of orm classes to which the identifier should be mapped
operator – the operator to use in the query
project – the property or properties to project for entities matching the query
- Returns
the query builder instance that should retrieve the entity corresponding to the identifier
- Raises
ValueError – if the identifier is invalid
aiida.common.NotExistent – if the orm base class does not support a LABEL like identifier
-
orm_base_class
¶ alias of
aiida.orm.nodes.process.calculation.calculation.CalculationNode
-
-
class
aiida.orm.utils.loaders.
CodeEntityLoader
[source]¶ Bases:
aiida.orm.utils.loaders.OrmEntityLoader
Loader for the Code entity and sub classes.
-
__abstractmethods__
= frozenset({})¶
-
__module__
= 'aiida.orm.utils.loaders'¶
-
_abc_impl
= <_abc_data object>¶
-
classmethod
_get_query_builder_label_identifier
(identifier, classes, operator='==', project='*')[source]¶ Return the query builder instance that attempts to map the identifier onto an entity of the orm class, defined for this loader class, interpreting the identifier as a LABEL like identifier
- Parameters
identifier – the LABEL identifier
classes – a tuple of orm classes to which the identifier should be mapped
operator – the operator to use in the query
project – the property or properties to project for entities matching the query
- Returns
the query builder instance that should retrieve the entity corresponding to the identifier
- Raises
ValueError – if the identifier is invalid
aiida.common.NotExistent – if the orm base class does not support a LABEL like identifier
-
orm_base_class
¶ alias of
aiida.orm.nodes.data.code.Code
-
-
class
aiida.orm.utils.loaders.
ComputerEntityLoader
[source]¶ Bases:
aiida.orm.utils.loaders.OrmEntityLoader
Loader for the Computer entity and sub classes.
-
__abstractmethods__
= frozenset({})¶
-
__module__
= 'aiida.orm.utils.loaders'¶
-
_abc_impl
= <_abc_data object>¶
-
classmethod
_get_query_builder_label_identifier
(identifier, classes, operator='==', project='*')[source]¶ Return the query builder instance that attempts to map the identifier onto an entity of the orm class, defined for this loader class, interpreting the identifier as a LABEL like identifier
- Parameters
identifier – the LABEL identifier
classes – a tuple of orm classes to which the identifier should be mapped
operator – the operator to use in the query
project – the property or properties to project for entities matching the query
- Returns
the query builder instance that should retrieve the entity corresponding to the identifier
- Raises
ValueError – if the identifier is invalid
aiida.common.NotExistent – if the orm base class does not support a LABEL like identifier
-
orm_base_class
¶ alias of
aiida.orm.computers.Computer
-
-
class
aiida.orm.utils.loaders.
GroupEntityLoader
[source]¶ Bases:
aiida.orm.utils.loaders.OrmEntityLoader
Loader for the Group entity and sub classes.
-
__abstractmethods__
= frozenset({})¶
-
__module__
= 'aiida.orm.utils.loaders'¶
-
_abc_impl
= <_abc_data object>¶
-
classmethod
_get_query_builder_label_identifier
(identifier, classes, operator='==', project='*')[source]¶ Return the query builder instance that attempts to map the identifier onto an entity of the orm class, defined for this loader class, interpreting the identifier as a LABEL like identifier
- Parameters
identifier – the LABEL identifier
classes – a tuple of orm classes to which the identifier should be mapped
operator – the operator to use in the query
project – the property or properties to project for entities matching the query
- Returns
the query builder instance that should retrieve the entity corresponding to the identifier
- Raises
ValueError – if the identifier is invalid
aiida.common.NotExistent – if the orm base class does not support a LABEL like identifier
-
orm_base_class
¶ alias of
aiida.orm.groups.Group
-
-
class
aiida.orm.utils.loaders.
NodeEntityLoader
[source]¶ Bases:
aiida.orm.utils.loaders.OrmEntityLoader
Loader for the Node entity and sub classes.
-
__abstractmethods__
= frozenset({})¶
-
__module__
= 'aiida.orm.utils.loaders'¶
-
_abc_impl
= <_abc_data object>¶
-
classmethod
_get_query_builder_label_identifier
(identifier, classes, operator='==', project='*')[source]¶ Return the query builder instance that attempts to map the identifier onto an entity of the orm class, defined for this loader class, interpreting the identifier as a LABEL like identifier
- Parameters
identifier – the LABEL identifier
classes – a tuple of orm classes to which the identifier should be mapped
operator – the operator to use in the query
project – the property or properties to project for entities matching the query
- Returns
the query builder instance that should retrieve the entity corresponding to the identifier
- Raises
ValueError – if the identifier is invalid
aiida.common.NotExistent – if the orm base class does not support a LABEL like identifier
-
orm_base_class
¶ alias of
aiida.orm.nodes.node.Node
-
Module for logging methods/classes that need the ORM.
-
class
aiida.orm.utils.log.
DBLogHandler
(level=0)[source]¶ Bases:
logging.Handler
A custom db log handler for writing logs tot he database
-
__module__
= 'aiida.orm.utils.log'¶
-
-
aiida.orm.utils.log.
create_logger_adapter
(logger, node)[source]¶ Create a logger adapter for the given Node instance.
- Parameters
logger – the logger to adapt
node – the node instance to create the adapter for
- Returns
the logger adapter
- Return type
logging.LoggerAdapter
-
aiida.orm.utils.log.
get_dblogger_extra
(node)[source]¶ Return the additional information necessary to attach any log records to the given node instance.
- Parameters
node – a Node instance
Contain utility classes for “managers”, i.e., classes that act allow to access members of other classes via TAB-completable attributes (e.g. the class underlying calculation.inputs to allow to do calculation.inputs.<label>).
-
class
aiida.orm.utils.managers.
NodeLinksManager
(node, link_type, incoming)[source]¶ Bases:
object
A manager that allows to inspect, with tab-completion, nodes linked to a given one. See an example of its use in CalculationNode.inputs.
-
__dict__
= mappingproxy({'__module__': 'aiida.orm.utils.managers', '__doc__': '\n A manager that allows to inspect, with tab-completion, nodes linked to a given one.\n See an example of its use in `CalculationNode.inputs`.\n ', '__init__': <function NodeLinksManager.__init__>, '_get_keys': <function NodeLinksManager._get_keys>, '_get_node_by_link_label': <function NodeLinksManager._get_node_by_link_label>, '__dir__': <function NodeLinksManager.__dir__>, '__iter__': <function NodeLinksManager.__iter__>, '__getattr__': <function NodeLinksManager.__getattr__>, '__getitem__': <function NodeLinksManager.__getitem__>, '__str__': <function NodeLinksManager.__str__>, '__repr__': <function NodeLinksManager.__repr__>, '__dict__': <attribute '__dict__' of 'NodeLinksManager' objects>, '__weakref__': <attribute '__weakref__' of 'NodeLinksManager' objects>})¶
-
__getattr__
(name)[source]¶ - Parameters
name – name of the attribute to be asked to the parser results.
-
__getitem__
(name)[source]¶ interface to get to the parser results as a dictionary.
- Parameters
name – name of the attribute to be asked to the parser results.
-
__init__
(node, link_type, incoming)[source]¶ Initialise the link manager.
- Parameters
node – the reference node object
link_type – the link_type to inspect
incoming – if True, inspect incoming links, otherwise inspect outgoing links
-
__module__
= 'aiida.orm.utils.managers'¶
-
__weakref__
¶ list of weak references to the object (if defined)
-
-
class
aiida.orm.utils.managers.
AttributeManager
(node)[source]¶ Bases:
object
An object used internally to return the attributes as a dictionary. This is currently used in
Dict
, for instance.- Note
Important! It cannot be used to change variables, just to read them. To change values (of unstored nodes), use the proper Node methods.
-
__dict__
= mappingproxy({'__module__': 'aiida.orm.utils.managers', '__doc__': '\n An object used internally to return the attributes as a dictionary.\n This is currently used in :py:class:`~aiida.orm.nodes.data.dict.Dict`,\n for instance.\n\n :note: Important! It cannot be used to change variables, just to read\n them. To change values (of unstored nodes), use the proper Node methods.\n ', '__init__': <function AttributeManager.__init__>, '__dir__': <function AttributeManager.__dir__>, '__iter__': <function AttributeManager.__iter__>, '_get_dict': <function AttributeManager._get_dict>, '__getattr__': <function AttributeManager.__getattr__>, '__getitem__': <function AttributeManager.__getitem__>, '__dict__': <attribute '__dict__' of 'AttributeManager' objects>, '__weakref__': <attribute '__weakref__' of 'AttributeManager' objects>})¶
-
__getattr__
(name)[source]¶ Interface to get to dictionary values, using the key as an attribute.
- Note
it works only for attributes that only contain letters, numbers and underscores, and do not start with a number.
- Parameters
name – name of the key whose value is required.
-
__getitem__
(name)[source]¶ Interface to get to dictionary values as a dictionary.
- Parameters
name – name of the key whose value is required.
-
__module__
= 'aiida.orm.utils.managers'¶
-
__weakref__
¶ list of weak references to the object (if defined)
Mixin classes for ORM classes.
-
class
aiida.orm.utils.mixins.
FunctionCalculationMixin
[source]¶ Bases:
object
This mixin should be used for ProcessNode subclasses that are used to record the execution of a python function. For example the process nodes that are used for a function that was wrapped by the workfunction or calcfunction function decorators. The store_source_info method can then be called with the wrapped function to store information about that function in the calculation node through the inspect module. Various property getters are defined to later retrieve that information from the node
-
FUNCTION_NAMESPACE_KEY
= 'function_namespace'¶
-
FUNCTION_NAME_KEY
= 'function_name'¶
-
FUNCTION_SOURCE_FILE_PATH
= 'source_file'¶
-
FUNCTION_STARTING_LINE_KEY
= 'function_starting_line_number'¶
-
__dict__
= mappingproxy({'__module__': 'aiida.orm.utils.mixins', '__doc__': '\n This mixin should be used for ProcessNode subclasses that are used to record the execution\n of a python function. For example the process nodes that are used for a function that\n was wrapped by the `workfunction` or `calcfunction` function decorators. The `store_source_info`\n method can then be called with the wrapped function to store information about that function\n in the calculation node through the inspect module. Various property getters are defined to\n later retrieve that information from the node\n ', 'FUNCTION_NAME_KEY': 'function_name', 'FUNCTION_NAMESPACE_KEY': 'function_namespace', 'FUNCTION_STARTING_LINE_KEY': 'function_starting_line_number', 'FUNCTION_SOURCE_FILE_PATH': 'source_file', 'store_source_info': <function FunctionCalculationMixin.store_source_info>, 'function_name': <property object>, '_set_function_name': <function FunctionCalculationMixin._set_function_name>, 'function_namespace': <property object>, '_set_function_namespace': <function FunctionCalculationMixin._set_function_namespace>, 'function_starting_line_number': <property object>, '_set_function_starting_line_number': <function FunctionCalculationMixin._set_function_starting_line_number>, 'get_function_source_code': <function FunctionCalculationMixin.get_function_source_code>, '__dict__': <attribute '__dict__' of 'FunctionCalculationMixin' objects>, '__weakref__': <attribute '__weakref__' of 'FunctionCalculationMixin' objects>})¶
-
__module__
= 'aiida.orm.utils.mixins'¶
-
__weakref__
¶ list of weak references to the object (if defined)
-
_set_function_name
(function_name)[source]¶ Set the function name of the wrapped function.
- Parameters
function_name – the function name
-
_set_function_namespace
(function_namespace)[source]¶ Set the function namespace of the wrapped function.
- Parameters
function_namespace – the function namespace
-
_set_function_starting_line_number
(function_starting_line_number)[source]¶ Set the starting line number of the wrapped function in its source file.
- Parameters
function_starting_line_number – the starting line number
-
property
function_name
¶ Return the function name of the wrapped function.
- Returns
the function name or None
-
property
function_namespace
¶ Return the function namespace of the wrapped function.
- Returns
the function namespace or None
-
property
function_starting_line_number
¶ Return the starting line number of the wrapped function in its source file.
- Returns
the starting line number or None
-
get_function_source_code
()[source]¶ Return the absolute path to the source file in the repository.
- Returns
the absolute path of the source file in the repository, or None if it does not exist
-
store_source_info
(func)[source]¶ Retrieve source information about the wrapped function func through the inspect module, and store it in the attributes and repository of the node. The function name, namespace and the starting line number in the source file will be stored in the attributes. The source file itself will be copied into the repository
- Parameters
func – the function to inspect and whose information to store in the node
-
-
class
aiida.orm.utils.mixins.
Sealable
[source]¶ Bases:
object
Mixin to mark a Node as sealable.
-
SEALED_KEY
= 'sealed'¶
-
__dict__
= mappingproxy({'__module__': 'aiida.orm.utils.mixins', '__doc__': 'Mixin to mark a Node as `sealable`.', 'SEALED_KEY': 'sealed', '_updatable_attributes': <aiida.common.lang.classproperty object>, 'validate_incoming': <function Sealable.validate_incoming>, 'validate_outgoing': <function Sealable.validate_outgoing>, 'is_sealed': <property object>, 'seal': <function Sealable.seal>, 'set_attribute': <function Sealable.set_attribute>, 'delete_attribute': <function Sealable.delete_attribute>, '__dict__': <attribute '__dict__' of 'Sealable' objects>, '__weakref__': <attribute '__weakref__' of 'Sealable' objects>})¶
-
__module__
= 'aiida.orm.utils.mixins'¶
-
__weakref__
¶ list of weak references to the object (if defined)
-
_updatable_attributes
= ('sealed',)¶
-
delete_attribute
(key)[source]¶ Delete an attribute.
- Parameters
key – name of the attribute
- Raises
AttributeError – if the attribute does not exist
aiida.common.exceptions.ModificationNotAllowed – if the node is already sealed or if the node is already stored and the attribute is not updatable.
-
property
is_sealed
¶ Returns whether the node is sealed, i.e. whether the sealed attribute has been set to True.
-
set_attribute
(key, value)[source]¶ Set an attribute to the given value.
- Parameters
key – name of the attribute
value – value of the attribute
- Raises
aiida.common.exceptions.ModificationNotAllowed – if the node is already sealed or if the node is already stored and the attribute is not updatable.
-
validate_incoming
(source, link_type, link_label)[source]¶ Validate adding a link of the given type from a given node to ourself.
Adding an incoming link to a sealed node is forbidden.
- Parameters
source – the node from which the link is coming
link_type – the link type
link_label – the link label
- Raises
aiida.common.ModificationNotAllowed – if the target node (self) is sealed
-
validate_outgoing
(target, link_type, link_label)[source]¶ Validate adding a link of the given type from ourself to a given node.
Adding an outgoing link from a sealed node is forbidden.
- Parameters
target – the node to which the link is going
link_type – the link type
link_label – the link label
- Raises
aiida.common.ModificationNotAllowed – if the source node (self) is sealed
-
Utilities to operate on Node classes.
-
aiida.orm.utils.node.
load_node_class
(type_string)[source]¶ Return the Node sub class that corresponds to the given type string.
- Parameters
type_string – the type string of the node
- Returns
a sub class of Node
-
aiida.orm.utils.node.
get_type_string_from_class
(class_module, class_name)[source]¶ Given the module and name of a class, determine the orm_class_type string, which codifies the orm class that is to be used. The returned string will always have a terminating period, which is required to query for the string in the database
- Parameters
class_module – module of the class
class_name – name of the class
-
aiida.orm.utils.node.
get_query_type_from_type_string
(type_string)[source]¶ Take the type string of a Node and create the queryable type string
- Parameters
type_string – the plugin_type_string attribute of a Node
- Returns
the type string that can be used to query for
-
class
aiida.orm.utils.node.
AbstractNodeMeta
[source]¶ Bases:
abc.ABCMeta
Some python black magic to set correctly the logger also in subclasses.
-
__module__
= 'aiida.orm.utils.node'¶
-
-
aiida.orm.utils.node.
validate_attribute_extra_key
(key)[source]¶ Validate the key for a node attribute or extra.
- Raises
aiida.common.ValidationError – if the key is not a string or contains reserved separator character
-
aiida.orm.utils.node.
clean_value
(value)[source]¶ Get value from input and (recursively) replace, if needed, all occurrences of BaseType AiiDA data nodes with their value, and List with a standard list. It also makes a deep copy of everything The purpose of this function is to convert data to a type which can be serialized and deserialized for storage in the DB without its value changing.
Note however that there is no logic to avoid infinite loops when the user passes some perverse recursive dictionary or list. In any case, however, this would not be storable by AiiDA…
- Parameters
value – A value to be set as an attribute or an extra
- Returns
a “cleaned” value, potentially identical to value, but with values replaced where needed.
-
aiida.orm.utils.remote.
clean_remote
(transport, path)[source]¶ Recursively remove a remote folder, with the given absolute path, and all its contents. The path should be made accessible through the transport channel, which should already be open
- Parameters
transport – an open Transport channel
path – an absolute path on the remote made available through the transport
-
aiida.orm.utils.remote.
get_calcjob_remote_paths
(pks=None, past_days=None, older_than=None, computers=None, user=None)[source]¶ Return a mapping of computer uuids to a list of remote paths, for a given set of calcjobs. The set of calcjobs will be determined by a query with filters based on the pks, past_days, older_than, computers and user arguments.
- Parameters
pks – onlu include calcjobs with a pk in this list
past_days – only include calcjobs created since past_days
older_than – only include calcjobs older than
computers – only include calcjobs that were ran on these computers
user – only include calcjobs of this user
- Returns
mapping of computer uuid and list of remote paths, or None
Class that represents the repository of a Node instance.
-
class
aiida.orm.utils.repository.
File
(name, type)¶ Bases:
tuple
-
__getnewargs__
()¶ Return self as a plain tuple. Used by copy and pickle.
-
__module__
= 'aiida.orm.utils.repository'¶
-
static
__new__
(_cls, name, type)¶ Create new instance of File(name, type)
-
__repr__
()¶ Return a nicely formatted representation string
-
__slots__
= ()¶
-
_asdict
()¶ Return a new OrderedDict which maps field names to their values.
-
_fields
= ('name', 'type')¶
-
_fields_defaults
= {}¶
-
classmethod
_make
(iterable)¶ Make a new File object from a sequence or iterable
-
_replace
(**kwds)¶ Return a new File object replacing specified fields with new values
-
property
name
¶ Alias for field number 0
-
property
type
¶ Alias for field number 1
-
-
class
aiida.orm.utils.repository.
FileType
[source]¶ Bases:
enum.Enum
An enumeration.
-
DIRECTORY
= 0¶
-
FILE
= 1¶
-
__module__
= 'aiida.orm.utils.repository'¶
-
-
class
aiida.orm.utils.repository.
Repository
(uuid, is_stored, base_path=None)[source]¶ Bases:
object
Class that represents the repository of a Node instance.
-
__dict__
= mappingproxy({'__module__': 'aiida.orm.utils.repository', '__doc__': 'Class that represents the repository of a `Node` instance.', '_section_name': 'node', '__init__': <function Repository.__init__>, '__del__': <function Repository.__del__>, 'validate_mutability': <function Repository.validate_mutability>, 'validate_object_key': <staticmethod object>, 'list_objects': <function Repository.list_objects>, 'list_object_names': <function Repository.list_object_names>, 'open': <function Repository.open>, 'get_object': <function Repository.get_object>, 'get_object_content': <function Repository.get_object_content>, 'put_object_from_tree': <function Repository.put_object_from_tree>, 'put_object_from_file': <function Repository.put_object_from_file>, 'put_object_from_filelike': <function Repository.put_object_from_filelike>, 'delete_object': <function Repository.delete_object>, 'erase': <function Repository.erase>, 'store': <function Repository.store>, 'restore': <function Repository.restore>, '_get_base_folder': <function Repository._get_base_folder>, '_get_temp_folder': <function Repository._get_temp_folder>, '__dict__': <attribute '__dict__' of 'Repository' objects>, '__weakref__': <attribute '__weakref__' of 'Repository' objects>})¶
-
__init__
(uuid, is_stored, base_path=None)[source]¶ Initialize self. See help(type(self)) for accurate signature.
-
__module__
= 'aiida.orm.utils.repository'¶
-
__weakref__
¶ list of weak references to the object (if defined)
-
_get_temp_folder
()[source]¶ Return the temporary sandbox folder.
- Returns
a SandboxFolder object mapping the node in the repository.
-
_section_name
= 'node'¶
-
delete_object
(key, force=False)[source]¶ Delete the object from the repository.
Warning
If the repository belongs to a stored node, a ModificationNotAllowed exception will be raised. This check can be avoided by using the force flag, but this should be used with extreme caution!
- Parameters
key – fully qualified identifier for the object within the repository
force – boolean, if True, will skip the mutability check
- Raises
aiida.common.ModificationNotAllowed – if repository is immutable and force=False
-
erase
(force=False)[source]¶ Delete the repository folder.
Warning
If the repository belongs to a stored node, a ModificationNotAllowed exception will be raised. This check can be avoided by using the force flag, but this should be used with extreme caution!
- Parameters
force – boolean, if True, will skip the mutability check
- Raises
aiida.common.ModificationNotAllowed – if repository is immutable and force=False
-
get_object
(key)[source]¶ Return the object identified by key.
- Parameters
key – fully qualified identifier for the object within the repository
- Returns
a File named tuple representing the object located at key
- Raises
IOError – if no object with the given key exists
-
get_object_content
(key, mode='r')[source]¶ Return the content of a object identified by key.
- Parameters
key – fully qualified identifier for the object within the repository
mode – the mode under which to open the handle
-
list_object_names
(key=None)[source]¶ Return a list of the object names contained in this repository, optionally in the given sub directory.
- Parameters
key – fully qualified identifier for the object within the repository
- Returns
a list of File named tuples representing the objects present in directory with the given key
-
list_objects
(key=None)[source]¶ Return a list of the objects contained in this repository, optionally in the given sub directory.
- Parameters
key – fully qualified identifier for the object within the repository
- Returns
a list of File named tuples representing the objects present in directory with the given key
-
open
(key, mode='r')[source]¶ Open a file handle to an object stored under the given key.
- Parameters
key – fully qualified identifier for the object within the repository
mode – the mode under which to open the handle
-
put_object_from_file
(path, key, mode=None, encoding=None, force=False)[source]¶ Store a new object under key with contents of the file located at path on this file system.
Warning
If the repository belongs to a stored node, a ModificationNotAllowed exception will be raised. This check can be avoided by using the force flag, but this should be used with extreme caution!
- Parameters
path – absolute path of file whose contents to copy to the repository
key – fully qualified identifier for the object within the repository
mode – the file mode with which the object will be written Deprecated: will be removed in v2.0.0
encoding – the file encoding with which the object will be written Deprecated: will be removed in v2.0.0
force – boolean, if True, will skip the mutability check
- Raises
aiida.common.ModificationNotAllowed – if repository is immutable and force=False
-
put_object_from_filelike
(handle, key, mode='w', encoding='utf8', force=False)[source]¶ Store a new object under key with contents of filelike object handle.
Warning
If the repository belongs to a stored node, a ModificationNotAllowed exception will be raised. This check can be avoided by using the force flag, but this should be used with extreme caution!
- Parameters
handle – filelike object with the content to be stored
key – fully qualified identifier for the object within the repository
mode – the file mode with which the object will be written
encoding – the file encoding with which the object will be written
force – boolean, if True, will skip the mutability check
- Raises
aiida.common.ModificationNotAllowed – if repository is immutable and force=False
-
put_object_from_tree
(path, key=None, contents_only=True, force=False)[source]¶ Store a new object under key with the contents of the directory located at path on this file system.
Warning
If the repository belongs to a stored node, a ModificationNotAllowed exception will be raised. This check can be avoided by using the force flag, but this should be used with extreme caution!
- Parameters
path – absolute path of directory whose contents to copy to the repository
key – fully qualified identifier for the object within the repository
contents_only – boolean, if True, omit the top level directory of the path and only copy its contents.
force – boolean, if True, will skip the mutability check
- Raises
aiida.common.ModificationNotAllowed – if repository is immutable and force=False
-
validate_mutability
()[source]¶ Raise if the repository is immutable.
- Raises
aiida.common.ModificationNotAllowed – if repository is marked as immutable because the corresponding node is stored
-
Serialisation functions for AiiDA types
WARNING: Changing the representation of things here may break people’s current saved e.g. things like checkpoints and messages in the RabbitMQ queue so do so with caution. It is fine to add representers for new types though.
-
class
aiida.orm.utils.serialize.
AiiDADumper
(stream, default_style=None, default_flow_style=None, canonical=None, indent=None, width=None, allow_unicode=None, line_break=None, encoding=None, explicit_start=None, explicit_end=None, version=None, tags=None)[source]¶ Bases:
yaml.dumper.Dumper
Custom AiiDA yaml dumper.
Needed so that we don’t have to encode each type in the AiiDA graph hierarchy separately using a custom representer.
-
__module__
= 'aiida.orm.utils.serialize'¶
-
yaml_representers
= {<class 'NoneType'>: <function SafeRepresenter.represent_none>, <class 'str'>: <function SafeRepresenter.represent_str>, <class 'bytes'>: <function SafeRepresenter.represent_binary>, <class 'bool'>: <function SafeRepresenter.represent_bool>, <class 'int'>: <function SafeRepresenter.represent_int>, <class 'float'>: <function SafeRepresenter.represent_float>, <class 'list'>: <function SafeRepresenter.represent_list>, <class 'tuple'>: <function Representer.represent_tuple>, <class 'dict'>: <function SafeRepresenter.represent_dict>, <class 'set'>: <function SafeRepresenter.represent_set>, <class 'datetime.date'>: <function SafeRepresenter.represent_date>, <class 'datetime.datetime'>: <function SafeRepresenter.represent_datetime>, None: <function SafeRepresenter.represent_undefined>, <class 'complex'>: <function Representer.represent_complex>, <class 'type'>: <function Representer.represent_name>, <class 'collections.OrderedDict'>: <function Representer.represent_ordered_dict>, <class 'function'>: <function Representer.represent_name>, <class 'builtin_function_or_method'>: <function Representer.represent_name>, <class 'module'>: <function Representer.represent_module>, <class 'plumpy.persistence.Bundle'>: <function represent_bundle>, <class 'aiida.common.extendeddicts.AttributeDict'>: functools.partial(<function represent_mapping>, '!aiida_attributedict'), <class 'plumpy.utils.AttributesFrozendict'>: functools.partial(<function represent_mapping>, '!plumpy:attributes_frozendict')}¶
-
-
class
aiida.orm.utils.serialize.
AiiDALoader
(stream)[source]¶ Bases:
yaml.loader.Loader
AiiDA specific yaml loader
-
__module__
= 'aiida.orm.utils.serialize'¶
-
yaml_constructors
= {'tag:yaml.org,2002:null': <function SafeConstructor.construct_yaml_null>, 'tag:yaml.org,2002:bool': <function SafeConstructor.construct_yaml_bool>, 'tag:yaml.org,2002:int': <function SafeConstructor.construct_yaml_int>, 'tag:yaml.org,2002:float': <function SafeConstructor.construct_yaml_float>, 'tag:yaml.org,2002:binary': <function SafeConstructor.construct_yaml_binary>, 'tag:yaml.org,2002:timestamp': <function SafeConstructor.construct_yaml_timestamp>, 'tag:yaml.org,2002:omap': <function SafeConstructor.construct_yaml_omap>, 'tag:yaml.org,2002:pairs': <function SafeConstructor.construct_yaml_pairs>, 'tag:yaml.org,2002:set': <function SafeConstructor.construct_yaml_set>, 'tag:yaml.org,2002:str': <function SafeConstructor.construct_yaml_str>, 'tag:yaml.org,2002:seq': <function SafeConstructor.construct_yaml_seq>, 'tag:yaml.org,2002:map': <function SafeConstructor.construct_yaml_map>, None: <function SafeConstructor.construct_undefined>, 'tag:yaml.org,2002:python/none': <function SafeConstructor.construct_yaml_null>, 'tag:yaml.org,2002:python/bool': <function SafeConstructor.construct_yaml_bool>, 'tag:yaml.org,2002:python/str': <function Constructor.construct_python_str>, 'tag:yaml.org,2002:python/unicode': <function Constructor.construct_python_unicode>, 'tag:yaml.org,2002:python/bytes': <function Constructor.construct_python_bytes>, 'tag:yaml.org,2002:python/int': <function SafeConstructor.construct_yaml_int>, 'tag:yaml.org,2002:python/long': <function Constructor.construct_python_long>, 'tag:yaml.org,2002:python/float': <function SafeConstructor.construct_yaml_float>, 'tag:yaml.org,2002:python/complex': <function Constructor.construct_python_complex>, 'tag:yaml.org,2002:python/list': <function SafeConstructor.construct_yaml_seq>, 'tag:yaml.org,2002:python/tuple': <function Constructor.construct_python_tuple>, 'tag:yaml.org,2002:python/dict': <function SafeConstructor.construct_yaml_map>, '!plumpy:Bundle': <function _bundle_constructor>, '!aiida_attributedict': functools.partial(<function mapping_constructor>, <class 'aiida.common.extendeddicts.AttributeDict'>), '!plumpy:attributes_frozendict': functools.partial(<function mapping_constructor>, <class 'plumpy.utils.AttributesFrozendict'>), '!plumpy:bundle': <function bundle_constructor>, '!aiida_node': <function node_constructor>, '!aiida_group': <function group_constructor>, '!aiida_computer': <function computer_constructor>}¶
-
-
aiida.orm.utils.serialize.
bundle_constructor
(loader, bundle)[source]¶ Construct an plumpy.Bundle from the representation
- Parameters
loader (
yaml.loader.Loader
) – the yaml loaderbundle – the bundle representation
- Returns
the mapping type
-
aiida.orm.utils.serialize.
computer_constructor
(loader, computer)[source]¶ Load a computer from the yaml representation.
- Parameters
loader – the yaml loader
computer – the yaml representation
- Returns
the aiida computer
- Return type
-
aiida.orm.utils.serialize.
deserialize
(serialized)[source]¶ Deserialize a yaml dump that represents a serialized data structure.
- Parameters
serialized – a yaml serialized string representation
- Returns
the deserialized data structure
-
aiida.orm.utils.serialize.
group_constructor
(loader, group)[source]¶ Load a group from the yaml representation.
- Parameters
loader – the yaml loader
group – the yaml representation
- Returns
the aiida group
- Return type
-
aiida.orm.utils.serialize.
mapping_constructor
(mapping_type, loader, mapping)[source]¶ Construct a mapping from the representation.
- Parameters
mapping_type – the class of the mapping to construct, must accept a dictionary as a sole constructor argument to be compatible.
loader (
yaml.loader.Loader
) – the yaml loadermapping – the mapping representation
- Returns
the reconstructed mapping
-
aiida.orm.utils.serialize.
node_constructor
(loader, node)[source]¶ Load a node from the yaml representation.
- Parameters
loader – the yaml loader
node – the yaml representation
- Returns
the aiida node
- Return type
-
aiida.orm.utils.serialize.
represent_bundle
(dumper, bundle)[source]¶ Represent an plumpy.Bundle in yaml
- Parameters
tag – the yaml tag to use
dumper (
yaml.dumper.Dumper
) – the dumper to usebundle – the bundle to represent
- Returns
the representation
-
aiida.orm.utils.serialize.
represent_computer
(dumper, computer)[source]¶ Represent a computer in yaml.
- Parameters
dumper – the dumper to use
computer (
aiida.orm.Computer
) – the computer to represent
- Returns
the representation
-
aiida.orm.utils.serialize.
represent_group
(dumper, group)[source]¶ Represent a group in yaml.
- Parameters
dumper – the dumper to use
group (
aiida.orm.Group
) – the group to represent
- Returns
the representation
-
aiida.orm.utils.serialize.
represent_mapping
(tag, dumper, mapping)[source]¶ Represent a mapping in yaml.
- Parameters
tag – the yaml tag to use
dumper (
yaml.dumper.Dumper
) – the dumper to usemapping – the mapping to represent
- Returns
the representation
-
aiida.orm.utils.serialize.
represent_node
(dumper, node)[source]¶ Represent a node in yaml.
- Parameters
dumper – the dumper to use
node (
aiida.orm.nodes.node.Node
) – the node to represent
- Returns
the representation
-
aiida.orm.utils.serialize.
serialize
(data, encoding=None)[source]¶ Serialize the given data structure into a yaml dump.
The function supports standard data containers such as maps and lists as well as AiiDA nodes which will be serialized into strings, before the whole data structure is dumped into a string using yaml.
- Parameters
data – the general data to serialize
encoding – optional encoding for the serialized string
- Returns
string representation of the serialized data structure or byte array if specific encoding is specified