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Change behavior for adding Difference Metrics #36

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flo-schu opened this issue Jun 13, 2023 · 2 comments · May be fixed by #102
Open

Change behavior for adding Difference Metrics #36

flo-schu opened this issue Jun 13, 2023 · 2 comments · May be fixed by #102
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priority: medium

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@flo-schu
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flo-schu commented Jun 13, 2023 •
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  • needs to subclass DifferenceBase
  • implement _evaluate function that calculates the metric
  • change metric input to class instead of string

from

comparator.add_difference_metric(
    'PeakHeight', reference, 'outlet.outlet',
)

to

from CADETProcess.comparison.difference import PeakHeight
comparator.add_difference_metric(
    PeakHeight, reference, 'outlet.outlet',
)

to create own metric

from CADETProcess.comparison.difference import DifferenceBase

class MyMetric(DifferenceBase):
    def _evaluate(self, ...)
        ...

comparator.add_difference_metric(
    MyMetric, reference, 'outlet.outlet',
)
@schmoelder
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schmoelder commented Jun 13, 2023 •
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I think, we should also instantiate the Metrics before adding them. This way, they can be modified on scripting level.

from CADETProcess.comparison.difference import PeakHeight
metric = PeakHeight()

# configure metric ...

comparator.add_difference_metric(
    metric, reference, 'outlet.outlet',
)

or

comparator.add_difference_metric(
    MyMetric(), reference, 'outlet.outlet',
)

@flo-schu flo-schu self-assigned this Jun 13, 2023
@flo-schu flo-schu removed their assignment Jun 27, 2023
@ronald-jaepel ronald-jaepel changed the title add section on how to implement your own difference metric Change behavior for adding Difference Metrics Jan 9, 2024
@ronald-jaepel
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Reminder of other ToDos:

  • general status of testing references/difference metrics
  • reference_single vs reference (is reference_single still required?)
  • what about component systems with sub-species?

@schmoelder schmoelder mentioned this issue Jan 10, 2024
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@schmoelder schmoelder linked a pull request Jan 10, 2024 that will close this issue
Add fractionation metric #86
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@schmoelder schmoelder removed a link to a pull request Mar 2, 2024
Add fractionation metric #86
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@schmoelder schmoelder linked a pull request Mar 2, 2024 that will close this issue
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Change behavior for adding Difference Metrics fau-advanced-separations/CADET-Process
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@ronald-jaepel @schmoelder @flo-schu