{"action":"created","issue":{"url":"https://api.github.com/repos/choderalab/openmoltools/issues/209","repository_url":"https://api.github.com/repos/choderalab/openmoltools","labels_url":"https://api.github.com/repos/choderalab/openmoltools/issues/209/labels{/name}","comments_url":"https://api.github.com/repos/choderalab/openmoltools/issues/209/comments","events_url":"https://api.github.com/repos/choderalab/openmoltools/issues/209/events","html_url":"https://github.com/choderalab/openmoltools/pull/209","id":142421080,"number":209,"title":"Option to fail charging gracefully","user":{"login":"pgrinaway","id":4674712,"avatar_url":"https://avatars.githubusercontent.com/u/4674712?v=3","gravatar_id":"","url":"https://api.github.com/users/pgrinaway","html_url":"https://github.com/pgrinaway","followers_url":"https://api.github.com/users/pgrinaway/followers","following_url":"https://api.github.com/users/pgrinaway/following{/other_user}","gists_url":"https://api.github.com/users/pgrinaway/gists{/gist_id}","starred_url":"https://api.github.com/users/pgrinaway/starred{/owner}{/repo}","subscriptions_url":"https://api.github.com/users/pgrinaway/subscriptions","organizations_url":"https://api.github.com/users/pgrinaway/orgs","repos_url":"https://api.github.com/users/pgrinaway/repos","events_url":"https://api.github.com/users/pgrinaway/events{/privacy}","received_events_url":"https://api.github.com/users/pgrinaway/received_events","type":"User","site_admin":false},"labels":[],"state":"open","locked":false,"assignee":null,"milestone":null,"comments":3,"created_at":"2016-03-21T17:46:52Z","updated_at":"2016-03-21T20:20:31Z","closed_at":null,"pull_request":{"url":"https://api.github.com/repos/choderalab/openmoltools/pulls/209","html_url":"https://github.com/choderalab/openmoltools/pull/209","diff_url":"https://github.com/choderalab/openmoltools/pull/209.diff","patch_url":"https://github.com/choderalab/openmoltools/pull/209.patch"},"body":"As discussed in #208 , this PR adds an option (default `False`) to `generateForceFieldFromMolecules` to allow charging to fail gracefully and have the resultant molecules added to a failure list, which is returned along with the `ffxml` string. If the option is left at `False`, then the list will be empty and the function will behave as previously (exception)."},"comment":{"url":"https://api.github.com/repos/choderalab/openmoltools/issues/comments/199459453","html_url":"https://github.com/choderalab/openmoltools/pull/209#issuecomment-199459453","issue_url":"https://api.github.com/repos/choderalab/openmoltools/issues/209","id":199459453,"user":{"login":"pgrinaway","id":4674712,"avatar_url":"https://avatars.githubusercontent.com/u/4674712?v=3","gravatar_id":"","url":"https://api.github.com/users/pgrinaway","html_url":"https://github.com/pgrinaway","followers_url":"https://api.github.com/users/pgrinaway/followers","following_url":"https://api.github.com/users/pgrinaway/following{/other_user}","gists_url":"https://api.github.com/users/pgrinaway/gists{/gist_id}","starred_url":"https://api.github.com/users/pgrinaway/starred{/owner}{/repo}","subscriptions_url":"https://api.github.com/users/pgrinaway/subscriptions","organizations_url":"https://api.github.com/users/pgrinaway/orgs","repos_url":"https://api.github.com/users/pgrinaway/repos","events_url":"https://api.github.com/users/pgrinaway/events{/privacy}","received_events_url":"https://api.github.com/users/pgrinaway/received_events","type":"User","site_admin":false},"created_at":"2016-03-21T20:20:31Z","updated_at":"2016-03-21T20:20:31Z","body":"Sure, that works too. I wasn't sure if it'd be better to leave out that return bit (backwards compatibility) or include an empty list (same return type), but I don't really have a preference. Will change."}}