# -*- coding: utf-8 -*-
###########################################################################
# Copyright (c), The AiiDA team. All rights reserved. #
# This file is part of the AiiDA code. #
# #
# The code is hosted on GitHub at https://github.com/aiidateam/aiida_core #
# For further information on the license, see the LICENSE.txt file #
# For further information please visit http://www.aiida.net #
###########################################################################
"""Utilities for dealing with links between nodes."""
from __future__ import division
from __future__ import print_function
from __future__ import absolute_import
from collections import namedtuple
from aiida.common import exceptions
__all__ = ('LinkPair', 'LinkTriple', 'LinkManager', 'validate_link')
LinkPair = namedtuple('LinkPair', ['link_type', 'link_label'])
LinkTriple = namedtuple('LinkTriple', ['node', 'link_type', 'link_label'])
[docs]def validate_link(source, target, link_type, link_label):
"""
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.
:param source: the node from which the link is coming
:param target: the node to which the link is going
:param link_type: the type of link
:param link_label: link label
:raise TypeError: if `source` or `target` is not a Node instance, or `link_type` is not a `LinkType` enum
:raise ValueError: if the proposed link is invalid
"""
from aiida.common.links import LinkType
from aiida.orm import Node, Data, CalculationNode, WorkflowNode
if not isinstance(link_type, LinkType):
raise TypeError('the link_type should be a value from the LinkType enum')
if not isinstance(source, Node):
raise TypeError('the source should be a Node instance')
if not isinstance(target, Node):
raise TypeError('the target should be a Node instance')
if source.uuid is None or target.uuid is None:
raise ValueError('source or target node does not have a UUID')
if source.uuid == target.uuid:
raise ValueError('cannot add a link to oneself')
# For each link type, define a tuple that defines the valid types for the source and target node, as well as
# the outdegree and indegree character. If the degree is `unique` that means that there can only be a single
# link of this type regardless of the label. If instead it is `unique_label`, an infinite amount of links of that
# type can be defined, as long as the link label is unique for the sub set of links of that type. Finally, for
# `unique_triple` the triple of node, link type and link label has to be unique.
link_mapping = {
LinkType.CALL_CALC: (WorkflowNode, CalculationNode, 'unique_triple', 'unique'),
LinkType.CALL_WORK: (WorkflowNode, WorkflowNode, 'unique_triple', 'unique'),
LinkType.CREATE: (CalculationNode, Data, 'unique_pair', 'unique'),
LinkType.INPUT_CALC: (Data, CalculationNode, 'unique_triple', 'unique_pair'),
LinkType.INPUT_WORK: (Data, WorkflowNode, 'unique_triple', 'unique_pair'),
LinkType.RETURN: (WorkflowNode, Data, 'unique_pair', 'unique_triple'),
}
type_source, type_target, outdegree, indegree = link_mapping[link_type]
if not isinstance(source, type_source) or not isinstance(target, type_target):
raise ValueError('cannot add a {} link from {} to {}'.format(link_type, type(source), type(target)))
# Validate the outdegree of the source node
outgoing = source.get_outgoing(link_type=link_type)
# If the outdegree is `unique` there cannot already be any other incoming links of that type
if outdegree == 'unique' and outgoing.all():
raise ValueError('node<{}> already has an outgoing {} link'.format(source.uuid, link_type))
# If the outdegree is `unique_pair` than the link labels for outgoing links of this type should be unique
elif outdegree == 'unique_pair' and LinkPair(link_type, link_label) in outgoing.all_link_pairs():
raise ValueError('node<{}> already has an outgoing {} link with label "{}"'.format(
target.uuid, link_type, link_label))
# If the outdegree is `unique_triple` than the link triples of link type, link label and target should be unique
elif outdegree == 'unique_triple' and LinkTriple(target, link_type, link_label) in outgoing.all():
raise ValueError('node<{}> already has an outgoing {} link with label "{}" from node<{}>'.format(
source.uuid, link_type, link_label, target.uuid))
# Validate the indegree of the target node
incoming = target.get_incoming(link_type=link_type)
# If the indegree is `unique` there cannot already be any other incoming links of that type
if indegree == 'unique' and incoming.all():
raise ValueError('node<{}> already has an incoming {} link'.format(target.uuid, link_type))
# If the indegree is `unique_pair` than the link labels for incoming links of this type should be unique
elif indegree == 'unique_pair' and LinkPair(link_type, link_label) in incoming.all_link_pairs():
raise ValueError('node<{}> already has an incoming {} link with label "{}"'.format(
target.uuid, link_type, link_label))
# If the indegree is `unique_triple` than the link triples of link type, link label and source should be unique
elif indegree == 'unique_triple' and LinkTriple(source, link_type, link_label) in incoming.all():
raise ValueError('node<{}> already has an incoming {} link with label "{}" from node<{}>'.format(
target.uuid, link_type, link_label, source.uuid))
[docs]class LinkManager(object): # pylint: disable=useless-object-inheritance
"""
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.
"""
[docs] def __init__(self, link_triples):
"""Initialise the collection."""
self.link_triples = link_triples
[docs] def __iter__(self):
"""Return an iterator of LinkTriple instances.
:return: iterator of LinkTriple instances
"""
return iter(self.link_triples)
[docs] def __next__(self):
"""Return the next element in the iterator.
:return: LinkTriple
"""
for link_triple in self.link_triples:
yield link_triple
[docs] def next(self):
"""Return the next element in the iterator.
:return: LinkTriple
"""
return self.__next__()
[docs] def one(self):
"""Return a single entry from the iterator.
If the iterator contains no or more than one entry, an exception will be raised
:return: LinkTriple instance
:raises ValueError: if the iterator contains anything but one entry
"""
if self.link_triples:
if len(self.link_triples) > 1:
raise ValueError('more than one entry found')
return self.link_triples[0]
raise ValueError('no entries found')
[docs] def first(self):
"""Return the first entry from the iterator.
:return: LinkTriple instance
:raises ValueError: if the iterator contains anything but one entry
"""
if self.link_triples:
return self.link_triples[0]
raise ValueError('no entries found')
[docs] def all(self):
"""Return all entries from the list.
:return: list of LinkTriple instances
"""
return self.link_triples
[docs] def all_nodes(self):
"""Return a list of all nodes.
:return: list of nodes
"""
return [entry.node for entry in self.all()]
[docs] def all_link_pairs(self):
"""Return a list of all link pairs.
:return: list of LinkPair instances
"""
return [LinkPair(entry.link_type, entry.link_label) for entry in self.all()]
[docs] def all_link_labels(self):
"""Return a list of all link labels.
:return: list of link labels
"""
return [entry.link_label for entry in self.all()]
[docs] def get_node_by_label(self, label):
"""Return the node from list for given label.
:return: node that corresponds to the given label
:raises aiida.common.NotExistent: if the label is not present among the link_triples
"""
matching_entry = None
for entry in self.link_triples:
if entry.link_label == label:
if matching_entry is None:
matching_entry = entry.node
else:
raise exceptions.MultipleObjectsError(
'more than one neighbor with the label {} found'.format(label))
if matching_entry is None:
raise exceptions.NotExistent('no neighbor with the label {} found'.format(label))
return matching_entry