# Exposing dynamic outputs using labels from Calculations?

**URL:** <https://aiida.discourse.group/t/exposing-dynamic-outputs-using-labels-from-calculations/383>\
**Category:** General Usage\
**Created:** [May 14, 2024, 1:00pm UTC](https://aiida.discourse.group/t/exposing-dynamic-outputs-using-labels-from-calculations/383 "2024-05-14T13:00:32Z")\
**Posts on this page:** 4\
**Page:** 1

<div class="post-metadata">

**Author:** ![AndresOrtegaGuerrero](https://yyz2.discourse-cdn.com/free1/user_avatar/aiida.discourse.group/andresortegaguerrero/32/187_2.png) [@AndresOrtegaGuerrero](https://aiida.discourse.group/u/AndresOrtegaGuerrero)\
**Post date:** [May 14, 2024, 1:00pm UTC](https://aiida.discourse.group/t/exposing-dynamic-outputs-using-labels-from-calculations/383/1 "2024-05-14T13:00:32Z")

</div>

Dear community,

I am facing one issue on how to expose the outputs from some calculations in the a workflow (AiiDA) ,

for example say i am running a loop of calculation (as an example)

```auto
    def run(self):

        opts = self.inputs.parameters["parameters"]
        for opt in opts:
            label=f"kp_{opt['a']}_kb_{opt['b')']}
 
            inputs = AttributeDict(self.exposed_inputs(Calculation, namespace="my_calc"))
            inputs.parameters = get_parameters(opt)
            inputs.metadata.label = label
            inputs.metadata.call_link_label = label
            future = self.submit(Calculation, **inputs)
            self.to_context(**{label: future})

```

so the loop can launch a different set of Calculations with distintive labels from the parameters.  
The question i have is how i can expose the outputs , in particular i would like to expose all the outputs from the calculations but now in the namespace using label.

for example node.output.{label} (and all the output from Calculation). any suggestions ?

Best  
Andres

---

<div class="post-metadata">

**Author:** ![Xing](https://yyz2.discourse-cdn.com/free1/user_avatar/aiida.discourse.group/xing/32/10_2.png) [@Xing](https://aiida.discourse.group/u/Xing)\
**Post date:** [May 14, 2024, 2:01pm UTC](https://aiida.discourse.group/t/exposing-dynamic-outputs-using-labels-from-calculations/383/2 "2024-05-14T14:01:39Z")

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One solution is to create a dynamic output, and save all the Calculations outputs there.  
Here is a working example,

```python
from aiida.engine import WorkChain, submit, run
from aiida.calculations.arithmetic.add import ArithmeticAddCalculation
from aiida.common import AttributeDict
from aiida import load_profile, orm

load_profile()

class AddMultiplyWorkChain(WorkChain):

    @classmethod
    def define(cls, spec):
        super().define(spec)
        spec.expose_inputs(ArithmeticAddCalculation, namespace='add')
        spec.output_namespace("my_outputs", dynamic=True)
        spec.outline(
            cls.run_add,
            cls.inspect_run,
        )

    def run_add(self):
        inputs = AttributeDict(self.exposed_inputs(ArithmeticAddCalculation, namespace="add"))
        for i in range(4):
            inputs['y'] = orm.Int(i)
            label = f"add_{i}"
            future = self.submit(ArithmeticAddCalculation, **inputs)
            self.to_context(**{label: future})

    def inspect_run(self):
        """Collect outputs"""
        my_outputs = {}
        for i in range(4):
            label = f"add_{i}"
            my_outputs[label] = {}
            process = getattr(self.ctx, label)
            for key in process.outputs._get_keys():
                my_outputs[label][key] = getattr(process.outputs, key)
        self.out("my_outputs", my_outputs)

code = orm.load_code("add@localhost")
run(AddMultiplyWorkChain, **{"add": {"code": code, "x": orm.Int(1), "y": orm.Int(2)}})

```

You will find outputs similar to

```console
Outputs PK Type
--------------------- ---- ----------
my_outputs
    add_0
        remote_folder 5746 RemoteData
        retrieved 5750 FolderData
        sum 5754 Int
    add_1
        remote_folder 5747 RemoteData
        retrieved 5751 FolderData
        sum 5755 Int
    add_2
        remote_folder 5748 RemoteData
        retrieved 5752 FolderData
        sum 5756 Int
    add_3
        remote_folder 5749 RemoteData
        retrieved 5753 FolderData
        sum 5757 Int

```

You can also try [aiida-workgraph](https://github.com/superstar54/aiida-workgraph), in which you can launch a dynamic number of sub-process. In the workgraph, one does not need to expose the outputs, and you will have access to all sub-process nodes.  
Here is the same example using `aiida-workgraph`:

```python
from aiida_workgraph import WorkGraph

data = range(4)
wg = WorkGraph("test")
for i in data:
    add = wg.nodes.new(ArithmeticAddCalculation, name=f"add_{i}",
                       code=code, x=orm.Int(1), y=orm.Int(i)
    )
wg.run()
# You can also use submit directly
# wg.submit(wait=True, timeout=100)
# get the outputs of add_0
print("outputs: ", wg.nodes["add_0"].node.outputs)

```

In case, you submit the job without waiting, you can load the `WorkGraph` later using its pk

```python
from aiida_workgraph import WorkGraph
wg = WorkGraph.load(pk)
print("outputs: ", wg.nodes["add_0"].node.outputs)

```

---

<div class="post-metadata">

**Author:** ![AndresOrtegaGuerrero](https://yyz2.discourse-cdn.com/free1/user_avatar/aiida.discourse.group/andresortegaguerrero/32/187_2.png) [@AndresOrtegaGuerrero](https://aiida.discourse.group/u/AndresOrtegaGuerrero)\
**Post date:** [May 14, 2024, 3:01pm UTC](https://aiida.discourse.group/t/exposing-dynamic-outputs-using-labels-from-calculations/383/3 "2024-05-14T15:01:54Z")

</div>

Thank you Xing! ,

First option does the job, i will also check the other two you mentioned!

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<div class="post-metadata">

**Author:** ![system](https://global.discourse-cdn.com/free1/uploads/aiida/original/1X/c417197d3750949351575d03ed03f5e2ad32e649.png) [@system](https://aiida.discourse.group/u/system)\
**Post date:** [May 20, 2024, 11:02am UTC](https://aiida.discourse.group/t/exposing-dynamic-outputs-using-labels-from-calculations/383/4 "2024-05-20T11:02:17Z")

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