{"action":"created","issue":{"url":"https://api.github.com/repos/swails/ParmEd/issues/3","labels_url":"https://api.github.com/repos/swails/ParmEd/issues/3/labels{/name}","comments_url":"https://api.github.com/repos/swails/ParmEd/issues/3/comments","events_url":"https://api.github.com/repos/swails/ParmEd/issues/3/events","html_url":"https://github.com/swails/ParmEd/pull/3","id":76679971,"number":3,"title":"Added test systems for Gromacs support","user":{"login":"leeping","id":1441560,"avatar_url":"https://avatars.githubusercontent.com/u/1441560?v=3","gravatar_id":"","url":"https://api.github.com/users/leeping","html_url":"https://github.com/leeping","followers_url":"https://api.github.com/users/leeping/followers","following_url":"https://api.github.com/users/leeping/following{/other_user}","gists_url":"https://api.github.com/users/leeping/gists{/gist_id}","starred_url":"https://api.github.com/users/leeping/starred{/owner}{/repo}","subscriptions_url":"https://api.github.com/users/leeping/subscriptions","organizations_url":"https://api.github.com/users/leeping/orgs","repos_url":"https://api.github.com/users/leeping/repos","events_url":"https://api.github.com/users/leeping/events{/privacy}","received_events_url":"https://api.github.com/users/leeping/received_events","type":"User","site_admin":false},"labels":[],"state":"closed","locked":false,"assignee":null,"milestone":null,"comments":17,"created_at":"2015-05-15T10:14:49Z","updated_at":"2015-05-16T16:00:02Z","closed_at":"2015-05-16T15:56:50Z","pull_request":{"url":"https://api.github.com/repos/swails/ParmEd/pulls/3","html_url":"https://github.com/swails/ParmEd/pull/3","diff_url":"https://github.com/swails/ParmEd/pull/3.diff","patch_url":"https://github.com/swails/ParmEd/pull/3.patch"},"body":"This PR adds a bunch of tests in `GmxTests`.  The layout is fairly simple, but it's not standardized to the framework in ParmEd.  Let me know if I can provide further help integrating it.\r\n\r\n`test.py` is now independent of ForceBalance so it should work with your Travis-CI.\r\n\r\nI used Gromacs 4.6.5 to do the tests.  Hopefully the results stay the same with newer versions of Gromacs :)\r\n\r\n```\r\n- About.txt (simple description)\r\n- test.py (main testing script)\r\n- nifty.py (ForceBalance convenience functions, standalone file)\r\n- molecule.py (useful for writing output .gro files from OpenMM, but not needed for test)\r\n- 01.1water\r\n  |- conf.gro\r\n  |- topol.top\r\n  |- shot.mdp\r\n  |- (itp files and force field folders)\r\n  |- command.sh (one-liner for running test.py)\r\n- (other test folders)\r\n```"},"comment":{"url":"https://api.github.com/repos/swails/ParmEd/issues/comments/102643641","html_url":"https://github.com/swails/ParmEd/pull/3#issuecomment-102643641","issue_url":"https://api.github.com/repos/swails/ParmEd/issues/3","id":102643641,"user":{"login":"leeping","id":1441560,"avatar_url":"https://avatars.githubusercontent.com/u/1441560?v=3","gravatar_id":"","url":"https://api.github.com/users/leeping","html_url":"https://github.com/leeping","followers_url":"https://api.github.com/users/leeping/followers","following_url":"https://api.github.com/users/leeping/following{/other_user}","gists_url":"https://api.github.com/users/leeping/gists{/gist_id}","starred_url":"https://api.github.com/users/leeping/starred{/owner}{/repo}","subscriptions_url":"https://api.github.com/users/leeping/subscriptions","organizations_url":"https://api.github.com/users/leeping/orgs","repos_url":"https://api.github.com/users/leeping/repos","events_url":"https://api.github.com/users/leeping/events{/privacy}","received_events_url":"https://api.github.com/users/leeping/received_events","type":"User","site_admin":false},"created_at":"2015-05-16T16:00:02Z","updated_at":"2015-05-16T16:00:02Z","body":"Actually, it's cool if you don't merge it. :)  I was mainly using this just as a discussion thread and to keep track of my own work."}}