[BLOCKED]: sphinx extension for workchain documentation #748
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This change was implemented to accommodate the new functionality that allows a Process to expose the inputs of another Process. The goal for WorkChain design should be to write well defined abstract components that can then be composed together by wrapping workchains. To prevent to having to manually copy over the input specification of a sub workchain we provide the 'expose_inputs' method that will do this automatically. To allow for inputs to be separated, we change the inputs of the ProcessSpec to be a PortNamespace, which allows for arbitrary nesting of Ports.
This option allows the exposing of only a particular subset of inputs of a Process.
A common use case is for a wrapping Process to run multiple instances of another sub Process and therefore wants to expose its inputs. However, the required inputs for the sub Process instances may differ for some inputs, while others can be shared. To accomplish this one can expose the inputs twice in separate namespaces and expose the shared inputs on the top level namespace. To simplify the specification of which inputs to expose where, we introduce the 'include' parameter for the ProcessSpec.expose_inputs method. To simply the gathering of inputs from the parsed inputs for a given sub process over multiple namespaces, we adapt the behaviour of the exposed_inputs methods to traverse down the namespace tree, collecting all inputs that are common to the process in question. This agglomerating behavior can be prevented by passing the argument agglomerate=False
Change the default for 'include' to None.
Add test where the same dict is passed for two namespaces
…sphuber/aiida_core into same_inputname_in_parent
Fix typo in agglomerate tests
The exclude / include functionality is factored out into a filter function. What's missing for the expose_outputs implementation is the ability to add namespaces.
…0_expose_workchain_inputs
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Update: Added integration with To make this possible, the directive is now instead of |
greschd
changed the title
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Closing in favor of #1155. |
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Blocked because it depends on the
expose_inputsandexpose_outputs/PortNamespaceimplementation, which is not merged yet.Fixes #721.
It defines a sphinx directive
aiida-workchain, which produces documentation like this:The tests are run separately (using pytest) from the main AiiDA tests.
Tests fail because of the unresolved issue about duplicate links.