{"action":"created","issue":{"url":"https://api.github.com/repos/hackingmaterials/matminer/issues/208","repository_url":"https://api.github.com/repos/hackingmaterials/matminer","labels_url":"https://api.github.com/repos/hackingmaterials/matminer/issues/208/labels{/name}","comments_url":"https://api.github.com/repos/hackingmaterials/matminer/issues/208/comments","events_url":"https://api.github.com/repos/hackingmaterials/matminer/issues/208/events","html_url":"https://github.com/hackingmaterials/matminer/issues/208","id":316064193,"number":208,"title":"Cation-anion flag in CrystalSiteFingerprint typically fails to function","user":{"login":"nisse3000","id":11105218,"avatar_url":"https://avatars0.githubusercontent.com/u/11105218?v=4","gravatar_id":"","url":"https://api.github.com/users/nisse3000","html_url":"https://github.com/nisse3000","followers_url":"https://api.github.com/users/nisse3000/followers","following_url":"https://api.github.com/users/nisse3000/following{/other_user}","gists_url":"https://api.github.com/users/nisse3000/gists{/gist_id}","starred_url":"https://api.github.com/users/nisse3000/starred{/owner}{/repo}","subscriptions_url":"https://api.github.com/users/nisse3000/subscriptions","organizations_url":"https://api.github.com/users/nisse3000/orgs","repos_url":"https://api.github.com/users/nisse3000/repos","events_url":"https://api.github.com/users/nisse3000/events{/privacy}","received_events_url":"https://api.github.com/users/nisse3000/received_events","type":"User","site_admin":false},"labels":[],"state":"open","locked":false,"assignee":null,"assignees":[],"milestone":null,"comments":1,"created_at":"2018-04-19T22:34:11Z","updated_at":"2018-04-19T22:48:29Z","closed_at":null,"author_association":"CONTRIBUTOR","body":"I tested a lot of instances in which I used the cation-anion flag in CrystalSiteFingerprint for structures retrieved from MP, and it always failed. The problem is the \"specie\" attribute that is to be used sparingly according to the pymatgen documentation. I think the motivation using the specie attribute was that people would decorate their structures with oxidation states before featurizing. But I think that most people won't do that because of lacking documentation. While it is straightforward to add corresponding documentation, I think the majority of users just would like to use the fingerprints without worrying about the oxidation state assignment procedure. So, I'd suggest to have a default robust oxidation state assignment procedure implemented in CrystalSiteFingerprint, and then at some point make it more flexible again by adding other decoration procedures.\r\nThoughts, @computron?"},"comment":{"url":"https://api.github.com/repos/hackingmaterials/matminer/issues/comments/382903841","html_url":"https://github.com/hackingmaterials/matminer/issues/208#issuecomment-382903841","issue_url":"https://api.github.com/repos/hackingmaterials/matminer/issues/208","id":382903841,"user":{"login":"nisse3000","id":11105218,"avatar_url":"https://avatars0.githubusercontent.com/u/11105218?v=4","gravatar_id":"","url":"https://api.github.com/users/nisse3000","html_url":"https://github.com/nisse3000","followers_url":"https://api.github.com/users/nisse3000/followers","following_url":"https://api.github.com/users/nisse3000/following{/other_user}","gists_url":"https://api.github.com/users/nisse3000/gists{/gist_id}","starred_url":"https://api.github.com/users/nisse3000/starred{/owner}{/repo}","subscriptions_url":"https://api.github.com/users/nisse3000/subscriptions","organizations_url":"https://api.github.com/users/nisse3000/orgs","repos_url":"https://api.github.com/users/nisse3000/repos","events_url":"https://api.github.com/users/nisse3000/events{/privacy}","received_events_url":"https://api.github.com/users/nisse3000/received_events","type":"User","site_admin":false},"created_at":"2018-04-19T22:48:29Z","updated_at":"2018-04-19T22:48:29Z","author_association":"CONTRIBUTOR","body":"Then, I'll go ahead and insert a corresponding sentence in the documentation. My feeling is that this is necessary to avoid confusion among users."}}
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