{"action":"created","issue":{"url":"https://api.github.com/repos/open-forcefield-group/smarty/issues/93","repository_url":"https://api.github.com/repos/open-forcefield-group/smarty","labels_url":"https://api.github.com/repos/open-forcefield-group/smarty/issues/93/labels{/name}","comments_url":"https://api.github.com/repos/open-forcefield-group/smarty/issues/93/comments","events_url":"https://api.github.com/repos/open-forcefield-group/smarty/issues/93/events","html_url":"https://github.com/open-forcefield-group/smarty/issues/93","id":168985068,"number":93,"title":"Chemical environment objects should know their type","user":{"login":"cbayly13","id":7750963,"avatar_url":"https://avatars.githubusercontent.com/u/7750963?v=3","gravatar_id":"","url":"https://api.github.com/users/cbayly13","html_url":"https://github.com/cbayly13","followers_url":"https://api.github.com/users/cbayly13/followers","following_url":"https://api.github.com/users/cbayly13/following{/other_user}","gists_url":"https://api.github.com/users/cbayly13/gists{/gist_id}","starred_url":"https://api.github.com/users/cbayly13/starred{/owner}{/repo}","subscriptions_url":"https://api.github.com/users/cbayly13/subscriptions","organizations_url":"https://api.github.com/users/cbayly13/orgs","repos_url":"https://api.github.com/users/cbayly13/repos","events_url":"https://api.github.com/users/cbayly13/events{/privacy}","received_events_url":"https://api.github.com/users/cbayly13/received_events","type":"User","site_admin":false},"labels":[{"url":"https://api.github.com/repos/open-forcefield-group/smarty/labels/enhancement","name":"enhancement","color":"84b6eb"}],"state":"open","locked":false,"assignee":{"login":"bannanc","id":11968541,"avatar_url":"https://avatars.githubusercontent.com/u/11968541?v=3","gravatar_id":"","url":"https://api.github.com/users/bannanc","html_url":"https://github.com/bannanc","followers_url":"https://api.github.com/users/bannanc/followers","following_url":"https://api.github.com/users/bannanc/following{/other_user}","gists_url":"https://api.github.com/users/bannanc/gists{/gist_id}","starred_url":"https://api.github.com/users/bannanc/starred{/owner}{/repo}","subscriptions_url":"https://api.github.com/users/bannanc/subscriptions","organizations_url":"https://api.github.com/users/bannanc/orgs","repos_url":"https://api.github.com/users/bannanc/repos","events_url":"https://api.github.com/users/bannanc/events{/privacy}","received_events_url":"https://api.github.com/users/bannanc/received_events","type":"User","site_admin":false},"assignees":[{"login":"bannanc","id":11968541,"avatar_url":"https://avatars.githubusercontent.com/u/11968541?v=3","gravatar_id":"","url":"https://api.github.com/users/bannanc","html_url":"https://github.com/bannanc","followers_url":"https://api.github.com/users/bannanc/followers","following_url":"https://api.github.com/users/bannanc/following{/other_user}","gists_url":"https://api.github.com/users/bannanc/gists{/gist_id}","starred_url":"https://api.github.com/users/bannanc/starred{/owner}{/repo}","subscriptions_url":"https://api.github.com/users/bannanc/subscriptions","organizations_url":"https://api.github.com/users/bannanc/orgs","repos_url":"https://api.github.com/users/bannanc/repos","events_url":"https://api.github.com/users/bannanc/events{/privacy}","received_events_url":"https://api.github.com/users/bannanc/received_events","type":"User","site_admin":false}],"milestone":null,"comments":8,"created_at":"2016-08-02T20:49:34Z","updated_at":"2016-08-02T22:51:54Z","closed_at":null,"body":"Chemical environments come in four types so far: torsion, angle, bond, and improper, and have different numbers of labeled nodes and edges (atoms and bonds) that need to be randomly varied. To help know how many nodes/edges there are to randomly choose from, it would be helpful to have a method like GetType which returns an indicator for whether it is a torsion, angle, bond, or improper type of environment."},"comment":{"url":"https://api.github.com/repos/open-forcefield-group/smarty/issues/comments/237073574","html_url":"https://github.com/open-forcefield-group/smarty/issues/93#issuecomment-237073574","issue_url":"https://api.github.com/repos/open-forcefield-group/smarty/issues/93","id":237073574,"user":{"login":"cbayly13","id":7750963,"avatar_url":"https://avatars.githubusercontent.com/u/7750963?v=3","gravatar_id":"","url":"https://api.github.com/users/cbayly13","html_url":"https://github.com/cbayly13","followers_url":"https://api.github.com/users/cbayly13/followers","following_url":"https://api.github.com/users/cbayly13/following{/other_user}","gists_url":"https://api.github.com/users/cbayly13/gists{/gist_id}","starred_url":"https://api.github.com/users/cbayly13/starred{/owner}{/repo}","subscriptions_url":"https://api.github.com/users/cbayly13/subscriptions","organizations_url":"https://api.github.com/users/cbayly13/orgs","repos_url":"https://api.github.com/users/cbayly13/repos","events_url":"https://api.github.com/users/cbayly13/events{/privacy}","received_events_url":"https://api.github.com/users/cbayly13/received_events","type":"User","site_admin":false},"created_at":"2016-08-02T22:51:54Z","updated_at":"2016-08-02T22:51:54Z","body":"@jchodera : we are likely to have to sample some atoms or bonds differently from others, for example the chemical perception needed for the central bond and atoms 2 and 3 of a torsion is likely to be different from that needed for terminal atoms and bonds. To start with we will treat them the same, but I want to design in the capability to distinguish them."}}
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