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It would be useful if we could easily query the openmmtools.testsystems module for useful subsets of systems, such as:
openmmtools.testsystems
WaterBox
DischargedWaterBox
There's a lot of stuff in there now, but not all of it is applicable to every kind of test battery.
The text was updated successfully, but these errors were encountered:
I think this might be done easily by one of two methods:
@property
find_subclasses()
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It would be useful if we could easily query the
openmmtools.testsystems
module for useful subsets of systems, such as:WaterBox
, but notDischargedWaterBox
)There's a lot of stuff in there now, but not all of it is applicable to every kind of test battery.
The text was updated successfully, but these errors were encountered: