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choderalab / YankTools

Test systems for Yank
GNU General Public License v2.0
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Create __init__ to simply test system import? #4

Open jchodera opened 10 years ago

jchodera commented 10 years ago

Do we need an __init__.py to simplify test system import?

Currently, it seems we'd need to do something like

from testsystems.test_systems import HarmonicOscillator

Instead, we'd like to have

from testsystems import HarmonicOscillator

Also, do we need to qualify these with some other prefix, such as the simtk.openmm.app path? Maybe choderalab.openmm.testsystems? Or is this overly verbose?

kyleabeauchamp commented 10 years ago

So I personally hate the simtk prefix.

But yes I do need to create a better init.py

kyleabeauchamp commented 10 years ago

My personal pet peeve of having too many prefixes is that they prevent the code from being properly browsed in via the interactive help menus--which IMHO is one of the key benefits of having docstrings.

jchodera commented 10 years ago

Suggestions for an alternative? testsystems may be too general.

How about just openmm.testsystems?