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Add convenience methods or properties to testsystems to get sets of systems for testing #63

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jchodera opened this issue May 13, 2015 · 1 comment

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@jchodera
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It would be useful if we could easily query the openmmtools.testsystems module for useful subsets of systems, such as:

  • all testsystems of any kind
  • main test representatives (e.g. WaterBox, but not DischargedWaterBox)
  • all alchemical test systems
  • weird corner cases that are non representative of real use cases
  • systems that are typical of real use cases
  • systems that will be "fast" or "easily computable"
  • systems with analytical properties

There's a lot of stuff in there now, but not all of it is applicable to every kind of test battery.

@kyleabeauchamp
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I think this might be done easily by one of two methods:

  1. Add @property decorators for various attribute classes
  2. Possibly use Mixins to provide these property decorators
  3. Continue to search subclasses via find_subclasses() but condition on the desired property

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