{"action":"created","issue":{"url":"https://api.github.com/repos/Acellera/htmd/issues/565","repository_url":"https://api.github.com/repos/Acellera/htmd","labels_url":"https://api.github.com/repos/Acellera/htmd/issues/565/labels{/name}","comments_url":"https://api.github.com/repos/Acellera/htmd/issues/565/comments","events_url":"https://api.github.com/repos/Acellera/htmd/issues/565/events","html_url":"https://github.com/Acellera/htmd/pull/565","id":298389628,"number":565,"title":"Refactoring 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(stable)","description":"","creator":{"login":"j3mdamas","id":10810178,"avatar_url":"https://avatars1.githubusercontent.com/u/10810178?v=4","gravatar_id":"","url":"https://api.github.com/users/j3mdamas","html_url":"https://github.com/j3mdamas","followers_url":"https://api.github.com/users/j3mdamas/followers","following_url":"https://api.github.com/users/j3mdamas/following{/other_user}","gists_url":"https://api.github.com/users/j3mdamas/gists{/gist_id}","starred_url":"https://api.github.com/users/j3mdamas/starred{/owner}{/repo}","subscriptions_url":"https://api.github.com/users/j3mdamas/subscriptions","organizations_url":"https://api.github.com/users/j3mdamas/orgs","repos_url":"https://api.github.com/users/j3mdamas/repos","events_url":"https://api.github.com/users/j3mdamas/events{/privacy}","received_events_url":"https://api.github.com/users/j3mdamas/received_events","type":"User","site_admin":false},"open_issues":7,"closed_issues":0,"state":"open","created_at":"2017-10-27T14:32:51Z","updated_at":"2018-02-20T09:57:18Z","due_on":"2018-05-29T07:00:00Z","closed_at":null},"comments":3,"created_at":"2018-02-19T20:12:22Z","updated_at":"2018-02-20T21:30:47Z","closed_at":null,"author_association":"CONTRIBUTOR","pull_request":{"url":"https://api.github.com/repos/Acellera/htmd/pulls/565","html_url":"https://github.com/Acellera/htmd/pull/565","diff_url":"https://github.com/Acellera/htmd/pull/565.diff","patch_url":"https://github.com/Acellera/htmd/pull/565.patch"},"body":"Okay so please keep in mind the scope of this PR. \r\nIt's scope is to remove the old `PRM RTF AMBERPRM AMBERRTF FFMolecule FFType` and `FFEvaluate` classes. Not to improve functionality per se or improve code organization although where that happens naturally I have done it.\r\n\r\n- [x] Replaced old classes with parmed\r\n- [x] Parameters are printing in alphabetical order\r\n- [x] CHARMM types have their typeindex written correclty\r\n- [x] htmd/parameterize/test.py tests all run without error (but different+correct results obviously)\r\n- [ ] Need to fix QM tests, Dihedral tests\r\n- [ ] Remove ffmolecule.py\r\n- [ ] Last thing will be to update testfiles\r\n\r\nIf anyone can help with fixing the remaining tests (everything except `htmd/parameterize/test.py` which I take care of it would be more than welcome)"},"comment":{"url":"https://api.github.com/repos/Acellera/htmd/issues/comments/367126641","html_url":"https://github.com/Acellera/htmd/pull/565#issuecomment-367126641","issue_url":"https://api.github.com/repos/Acellera/htmd/issues/565","id":367126641,"user":{"login":"j3mdamas","id":10810178,"avatar_url":"https://avatars1.githubusercontent.com/u/10810178?v=4","gravatar_id":"","url":"https://api.github.com/users/j3mdamas","html_url":"https://github.com/j3mdamas","followers_url":"https://api.github.com/users/j3mdamas/followers","following_url":"https://api.github.com/users/j3mdamas/following{/other_user}","gists_url":"https://api.github.com/users/j3mdamas/gists{/gist_id}","starred_url":"https://api.github.com/users/j3mdamas/starred{/owner}{/repo}","subscriptions_url":"https://api.github.com/users/j3mdamas/subscriptions","organizations_url":"https://api.github.com/users/j3mdamas/orgs","repos_url":"https://api.github.com/users/j3mdamas/repos","events_url":"https://api.github.com/users/j3mdamas/events{/privacy}","received_events_url":"https://api.github.com/users/j3mdamas/received_events","type":"User","site_admin":false},"created_at":"2018-02-20T21:30:47Z","updated_at":"2018-02-20T21:30:47Z","author_association":"CONTRIBUTOR","body":"But most tests are on `test.py`, no?\r\n\r\nI'll to look at this by the end of the week."}}
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