The function call:
def run_intensities_averaged(self):
"""Run an `IntensitiesAverageWorkChain` with the calculated vibrational data."""
self.ctx.intensities_average = AttributeDict({})
for key, vibrational_data in self.ctx.vibrational_data.items():
inputs = AttributeDict(self.exposed_inputs(IntensitiesAverageWorkChain, namespace='intensities_average'))
inputs.vibrational_data = vibrational_data
inputs.metadata.call_link_label = key
future = self.submit(IntensitiesAverageWorkChain, **inputs)
self.report(f'submitting `IntensitiesAverageWorkChain` <PK={future.pk}>.')
self.to_context(**{f'intensities_average.{key}': future})
calls self.ctx.vibrational_data, which is not set anywhere. So it should be correct to just use self.outputs.vibrational_data.
The function call:
calls
self.ctx.vibrational_data, which is not set anywhere. So it should be correct to just useself.outputs.vibrational_data.