search

msmbuilder / msmbuilder-legacy

Legacy release of MSMBuilder
http://msmbuilder.org
GNU General Public License v2.0
25 stars 28 forks source link

Fahproject #291

Closed kyleabeauchamp closed 10 years ago

kyleabeauchamp commented 10 years ago
  1. Sort clones
  2. Created a skeleton class for generating "arbitrary-looking" FAH project data.
  3. Created simple "analytical test" for FAH project building.

There's probably a huge number of ways we can make this stuff better, but we also want to get some minimal (but still working) tests sooner...

kyleabeauchamp commented 10 years ago

PS: I did NOT fix the issue where skipping a frame is tolerated, as that seems to require a more substantial rewrite.

Once we figure out how to fix that, it should be easy to add an extra test for this by copy-pasting my current test, but then deleting one frame.

kyleabeauchamp commented 10 years ago

Once we finalize this PR, we should have working tests for 2.8

Ran 111 tests in 14.055s

OK (SKIP=6)
rmcgibbo commented 10 years ago

I looked it over, and I'm happy.

kyleabeauchamp commented 10 years ago

Just now added docstring on one helper function.

I think the plan might be to merge this but keep issue #290 open as we figure out how to better test / improve FAH project.

kyleabeauchamp commented 10 years ago

But I'll wait for you to merge, as I don't have a direct connection to Christian etc

rmcgibbo commented 10 years ago

I just updated mdtraj to 0.6.0 on pypi, so the tests on travis (which pull mdtraj from pypi) should start to run now

rmcgibbo commented 10 years ago

Sweet. We're passing now!