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Doc: Fixing several small issues (#6392)
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The recursive workchain in code snippets can theoretically not run and 
is just confusing to have as an example for a user. It has been fixed by
using different name for the inner workchain.

In the classes `NodeCaching` and `ProcessNodeCaching` the
`is valid_cache` is a property. To not render it with method brackets,
the `:attr:` sphinx directive is used instead of `:meth:`.
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agoscinski authored Jun 28, 2024
1 parent 56995e1 commit 6a3a59b
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Showing 6 changed files with 22 additions and 10 deletions.
4 changes: 2 additions & 2 deletions docs/source/internals/engine.rst
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Expand Up @@ -20,14 +20,14 @@ There are several methods which the internal classes of AiiDA use to control the

On the level of the generic :class:`orm.Node <aiida.orm.Node>` class:

* The :meth:`~aiida.orm.nodes.caching.NodeCaching.is_valid_cache` property determines whether a particular node can be used as a cache.
* The :attr:`~aiida.orm.nodes.caching.NodeCaching.is_valid_cache` property determines whether a particular node can be used as a cache.
This is used for example to disable caching from failed calculations.
* Node classes have a ``_cachable`` attribute, which can be set to ``False`` to completely switch off caching for nodes of that class.
This avoids performing queries for the hash altogether.

On the level of the :class:`Process <aiida.engine.processes.process.Process>` and :class:`orm.ProcessNode <aiida.orm.ProcessNode>` classes:

* The :meth:`ProcessNodeCaching.is_valid_cache <aiida.orm.nodes.process.process.ProcessNodeCaching.is_valid_cache>` calls :meth:`Process.is_valid_cache <aiida.engine.processes.process.Process.is_valid_cache>`, passing the node itself.
* The :attr:`ProcessNodeCaching.is_valid_cache <aiida.orm.nodes.process.process.ProcessNodeCaching.is_valid_cache>` calls :meth:`Process.is_valid_cache <aiida.engine.processes.process.Process.is_valid_cache>`, passing the node itself.
This can be used in :class:`~aiida.engine.processes.process.Process` subclasses (e.g. in calculation plugins) to implement custom ways of invalidating the cache.
* The :meth:`ProcessNodeCaching._hash_ignored_inputs <aiida.orm.nodes.process.process.ProcessNodeCaching._hash_ignored_inputs>` attribute lists the inputs that should be ignored when creating the hash.
This is checked by the :meth:`ProcessNodeCaching.get_objects_to_hash <aiida.orm.nodes.process.process.ProcessNodeCaching.get_objects_to_hash>` method.
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8 changes: 4 additions & 4 deletions docs/source/topics/provenance/caching.rst
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Expand Up @@ -146,9 +146,9 @@ This method calls the iterator :meth:`~aiida.orm.nodes.caching.NodeCaching._iter
To find the list of `source` nodes that are equivalent to the `target` that is being stored, :meth:`~aiida.orm.nodes.caching.NodeCaching._iter_all_same_nodes` performs the following steps:

1. It queries the database for all nodes that have the same hash as the `target` node.
2. From the result, only those nodes are returned where the property :meth:`~aiida.orm.nodes.caching.NodeCaching.is_valid_cache` returns ``True``.
2. From the result, only those nodes are returned where the property :attr:`~aiida.orm.nodes.caching.NodeCaching.is_valid_cache` returns ``True``.

The property :meth:`~aiida.orm.nodes.caching.NodeCaching.is_valid_cache` therefore allows to control whether a stored node can be used as a `source` in the caching mechanism.
The property :attr:`~aiida.orm.nodes.caching.NodeCaching.is_valid_cache` therefore allows to control whether a stored node can be used as a `source` in the caching mechanism.
By default, for all nodes, the property returns ``True``.
However, this can be changed on a per-node basis, by setting it to ``False``

Expand All @@ -166,8 +166,8 @@ Setting the property to ``False``, will cause an extra to be stored on the node
Through this method, it is possible to guarantee that individual nodes are never used as a `source` for caching.

The :class:`~aiida.engine.processes.process.Process` class overrides the :meth:`~aiida.orm.nodes.caching.NodeCaching.is_valid_cache` property to give more fine-grained control on process nodes as caching sources.
If either :meth:`~aiida.orm.nodes.caching.NodeCaching.is_valid_cache` of the base class or :meth:`~aiida.orm.nodes.process.process.ProcessNode.is_finished` returns ``False``, the process node is not a valid source.
The :class:`~aiida.engine.processes.process.Process` class overrides the :attr:`~aiida.orm.nodes.caching.NodeCaching.is_valid_cache` property to give more fine-grained control on process nodes as caching sources.
If either :attr:`~aiida.orm.nodes.caching.NodeCaching.is_valid_cache` of the base class or :meth:`~aiida.orm.nodes.process.process.ProcessNode.is_finished` returns ``False``, the process node is not a valid source.
Likewise, if the process class cannot be loaded from the node, through the :meth:`~aiida.orm.nodes.process.process.ProcessNode.process_class`, the node is not a valid caching source.
Finally, if the associated process class implements the :meth:`~aiida.engine.processes.process.Process.is_valid_cache` method, it is called, passing the node as an argument.
If that returns ``True``, the node is considered to be a valid caching source.
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@@ -1,4 +1,7 @@
from aiida.engine import WorkChain, append_
from aiida.plugins.factories import CalculationFactory

SomeOtherWorkChain = CalculationFactory('some.module')


class SomeWorkChain(WorkChain):
Expand All @@ -12,7 +15,7 @@ def define(cls, spec):

def submit_workchains(self):
for i in range(3):
future = self.submit(SomeWorkChain)
future = self.submit(SomeOtherWorkChain)
self.to_context(workchains=append_(future))

def inspect_workchains(self):
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@@ -1,4 +1,7 @@
from aiida.engine import ToContext, WorkChain
from aiida.plugins.factories import CalculationFactory

SomeOtherWorkChain = CalculationFactory('some.module')


class SomeWorkChain(WorkChain):
Expand All @@ -11,7 +14,7 @@ def define(cls, spec):
)

def submit_workchain(self):
future = self.submit(SomeWorkChain)
future = self.submit(SomeOtherWorkChain)
return ToContext(workchain=future)

def inspect_workchain(self):
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Original file line number Diff line number Diff line change
@@ -1,4 +1,7 @@
from aiida.engine import WorkChain
from aiida.plugins.factories import CalculationFactory

SomeOtherWorkChain = CalculationFactory('some.module')


class SomeWorkChain(WorkChain):
Expand All @@ -12,7 +15,7 @@ def define(cls, spec):

def submit_workchains(self):
for i in range(3):
future = self.submit(SomeWorkChain)
future = self.submit(SomeOtherWorkChain)
key = f'workchain_{i}'
self.to_context(**{key: future})

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Original file line number Diff line number Diff line change
@@ -1,4 +1,7 @@
from aiida.engine import WorkChain
from aiida.plugins.factories import CalculationFactory

SomeOtherWorkChain = CalculationFactory('some.module')


class SomeWorkChain(WorkChain):
Expand All @@ -12,7 +15,7 @@ def define(cls, spec):

def submit_workchains(self):
for i in range(3):
future = self.submit(SomeWorkChain)
future = self.submit(SomeOtherWorkChain)
key = f'workchains.sub{i}'
self.to_context(**{key: future})

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