{"action":"created","issue":{"url":"https://api.github.com/repos/MDAnalysis/mdanalysis/issues/896","repository_url":"https://api.github.com/repos/MDAnalysis/mdanalysis","labels_url":"https://api.github.com/repos/MDAnalysis/mdanalysis/issues/896/labels{/name}","comments_url":"https://api.github.com/repos/MDAnalysis/mdanalysis/issues/896/comments","events_url":"https://api.github.com/repos/MDAnalysis/mdanalysis/issues/896/events","html_url":"https://github.com/MDAnalysis/mdanalysis/pull/896","id":164610309,"number":896,"title":"[WIP] Bauhaus PCA","user":{"login":"jdetle","id":10944582,"avatar_url":"https://avatars.githubusercontent.com/u/10944582?v=3","gravatar_id":"","url":"https://api.github.com/users/jdetle","html_url":"https://github.com/jdetle","followers_url":"https://api.github.com/users/jdetle/followers","following_url":"https://api.github.com/users/jdetle/following{/other_user}","gists_url":"https://api.github.com/users/jdetle/gists{/gist_id}","starred_url":"https://api.github.com/users/jdetle/starred{/owner}{/repo}","subscriptions_url":"https://api.github.com/users/jdetle/subscriptions","organizations_url":"https://api.github.com/users/jdetle/orgs","repos_url":"https://api.github.com/users/jdetle/repos","events_url":"https://api.github.com/users/jdetle/events{/privacy}","received_events_url":"https://api.github.com/users/jdetle/received_events","type":"User","site_admin":false},"labels":[],"state":"open","locked":false,"assignee":null,"assignees":[],"milestone":null,"comments":5,"created_at":"2016-07-08T20:29:40Z","updated_at":"2016-07-21T23:31:07Z","closed_at":null,"pull_request":{"url":"https://api.github.com/repos/MDAnalysis/mdanalysis/pulls/896","html_url":"https://github.com/MDAnalysis/mdanalysis/pull/896","diff_url":"https://github.com/MDAnalysis/mdanalysis/pull/896.diff","patch_url":"https://github.com/MDAnalysis/mdanalysis/pull/896.patch"},"body":"\r\nChanges made in this Pull Request:\r\n - Added PCA Module conforming to Bauhaus API\r\n\r\n## TODO\r\n - [x] AnalysisBase `_single_frame` call is a little contrived, up to advice of others to get rid of or not.\r\n - [ ] Should inverse transform be a function, should it recreate a trajectory?\r\n - [x] Should covariance be created manually? \r\n - [ ]  Found what I think is an error in @kain88-de's gist, PCA transform should be transpose to assure shapes are equal when a subset of the PCs are chosen, or am I mistaken somewhere?\r\n\r\n- [ ] Raise a warning for large numbers of atoms that are going to throw a memory error? This occurs for \r\n```\r\nu = Universe(PDB, XTC)\r\npca = pca.PCA(select='all')\r\ncum_var, pcs = pca.fit()\r\n```\r\nPR Checklist\r\n------------\r\n - [x] Tests?\r\n - [x] Docs?\r\n - [ ] CHANGELOG updated?\r\n - [ ] Issue raised/referenced?\r\n"},"comment":{"url":"https://api.github.com/repos/MDAnalysis/mdanalysis/issues/comments/234414840","html_url":"https://github.com/MDAnalysis/mdanalysis/pull/896#issuecomment-234414840","issue_url":"https://api.github.com/repos/MDAnalysis/mdanalysis/issues/896","id":234414840,"user":{"login":"coveralls","id":2354108,"avatar_url":"https://avatars.githubusercontent.com/u/2354108?v=3","gravatar_id":"","url":"https://api.github.com/users/coveralls","html_url":"https://github.com/coveralls","followers_url":"https://api.github.com/users/coveralls/followers","following_url":"https://api.github.com/users/coveralls/following{/other_user}","gists_url":"https://api.github.com/users/coveralls/gists{/gist_id}","starred_url":"https://api.github.com/users/coveralls/starred{/owner}{/repo}","subscriptions_url":"https://api.github.com/users/coveralls/subscriptions","organizations_url":"https://api.github.com/users/coveralls/orgs","repos_url":"https://api.github.com/users/coveralls/repos","events_url":"https://api.github.com/users/coveralls/events{/privacy}","received_events_url":"https://api.github.com/users/coveralls/received_events","type":"User","site_admin":false},"created_at":"2016-07-21T23:31:07Z","updated_at":"2016-07-21T23:31:07Z","body":"\n[![Coverage Status](https://coveralls.io/builds/7112174/badge)](https://coveralls.io/builds/7112174)\n\nCoverage increased (+0.006%) to 83.146% when pulling **3e245b659f223cfe2a85b16c95d388f1e22e82e8 on jdetle:PCA** into **9a632a91f23efb7f20a23c750eced293cd930494 on MDAnalysis:develop**.\n"}}
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