{"payload":{"feedbackUrl":"https://github.com/orgs/community/discussions/53140","repo":{"id":190740855,"defaultBranch":"main","name":"datawarrior_saturate_Murcko_scaffolds","ownerLogin":"nbehrnd","currentUserCanPush":false,"isFork":false,"isEmpty":false,"createdAt":"2019-06-07T12:36:13.000Z","ownerAvatar":"https://avatars.githubusercontent.com/u/19709084?v=4","public":true,"private":false,"isOrgOwned":false},"refInfo":{"name":"","listCacheKey":"v0:1711036724.0","currentOid":""},"activityList":{"items":[{"before":"7bf6feb44e676eb4f48cc17509fb96da62e93795","after":"06a1a8a2431b240383b5eefbe831555ac6d80170","ref":"refs/heads/main","pushedAt":"2024-03-27T10:51:17.000Z","pushType":"push","commitsCount":3,"pusher":{"login":"nbehrnd","name":null,"path":"/nbehrnd","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/19709084?s=80&v=4"},"commit":{"message":"ci: update Python setup action (v4 -> v5)\n\nSigned-off-by: Norwid Behrnd <nbehrnd@yahoo.com>","shortMessageHtmlLink":"ci: update Python setup action (v4 -&gt; v5)"}},{"before":"6a2414dc6f7c7e6c5f9c0e4789a2d71ecb014e10","after":"72cbac901160e9eb5db6d781cc34e135324604ee","ref":"refs/heads/reorganize_tests","pushedAt":"2024-03-27T10:49:38.000Z","pushType":"push","commitsCount":5,"pusher":{"login":"nbehrnd","name":null,"path":"/nbehrnd","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/19709084?s=80&v=4"},"commit":{"message":"ci: update Python setup action (v4 -> v5)\n\nSigned-off-by: Norwid Behrnd <nbehrnd@yahoo.com>","shortMessageHtmlLink":"ci: update Python setup action (v4 -&gt; v5)"}},{"before":"7bf6feb44e676eb4f48cc17509fb96da62e93795","after":null,"ref":"refs/heads/master","pushedAt":"2024-03-21T15:58:44.000Z","pushType":"branch_deletion","commitsCount":0,"pusher":{"login":"nbehrnd","name":null,"path":"/nbehrnd","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/19709084?s=80&v=4"}},{"before":null,"after":"7bf6feb44e676eb4f48cc17509fb96da62e93795","ref":"refs/heads/main","pushedAt":"2024-03-21T15:58:42.000Z","pushType":"branch_creation","commitsCount":0,"pusher":{"login":"nbehrnd","name":null,"path":"/nbehrnd","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/19709084?s=80&v=4"},"commit":{"message":"ci: install an automatic pytest gh action\n\nSigned-off-by: Norwid Behrnd <nbehrnd@yahoo.com>","shortMessageHtmlLink":"ci: install an automatic pytest gh action"}},{"before":"dd00dee6fee19e10bfc88bba58fa41c7e18715f4","after":"7bf6feb44e676eb4f48cc17509fb96da62e93795","ref":"refs/heads/master","pushedAt":"2024-03-21T15:55:51.000Z","pushType":"force_push","commitsCount":0,"pusher":{"login":"nbehrnd","name":null,"path":"/nbehrnd","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/19709084?s=80&v=4"},"commit":{"message":"ci: install an automatic pytest gh action\n\nSigned-off-by: Norwid Behrnd <nbehrnd@yahoo.com>","shortMessageHtmlLink":"ci: install an automatic pytest gh action"}},{"before":"04f364275eefd93b8ceaac943ad8ed293080a3e9","after":"dd00dee6fee19e10bfc88bba58fa41c7e18715f4","ref":"refs/heads/master","pushedAt":"2024-03-21T15:53:10.000Z","pushType":"force_push","commitsCount":0,"pusher":{"login":"nbehrnd","name":null,"path":"/nbehrnd","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/19709084?s=80&v=4"},"commit":{"message":"ci: install an automatic pytest gh action\n\nSigned-off-by: Norwid Behrnd <nbehrnd@yahoo.com>","shortMessageHtmlLink":"ci: install an automatic pytest gh action"}},{"before":"a3c94c4968c3810d6295d42d38292cd335bcd988","after":"04f364275eefd93b8ceaac943ad8ed293080a3e9","ref":"refs/heads/master","pushedAt":"2024-03-21T15:46:42.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"nbehrnd","name":null,"path":"/nbehrnd","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/19709084?s=80&v=4"},"commit":{"message":"install an automatic pytest gh action","shortMessageHtmlLink":"install an automatic pytest gh action"}},{"before":"d12bb558dcb6637c739148b993b4ed3fe8944fd9","after":"a3c94c4968c3810d6295d42d38292cd335bcd988","ref":"refs/heads/master","pushedAt":"2024-03-21T15:41:55.000Z","pushType":"push","commitsCount":9,"pusher":{"login":"nbehrnd","name":null,"path":"/nbehrnd","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/19709084?s=80&v=4"},"commit":{"message":"reorganize testing with pytest\n\nThe new form now permits testing of the script while running a\nvirtual environment.\n\nSigned-off-by: Norwid Behrnd <nbehrnd@yahoo.com>","shortMessageHtmlLink":"reorganize testing with pytest"}},{"before":null,"after":"6a2414dc6f7c7e6c5f9c0e4789a2d71ecb014e10","ref":"refs/heads/reorganize_tests","pushedAt":"2024-03-21T15:29:14.000Z","pushType":"branch_creation","commitsCount":0,"pusher":{"login":"nbehrnd","name":null,"path":"/nbehrnd","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/19709084?s=80&v=4"},"commit":{"message":"docs(test_saturate...py): update the inner documentation\n\nThe documentation provided within the script performing the tests\nwas updated.  After a spellcheck, the script was submitted to a\nreformat with black (version 24.2.0 as provided by Debian 13;\ndefault parameters).\n\nSigned-off-by: Norwid Behrnd <nbehrnd@yahoo.com>","shortMessageHtmlLink":"docs(test_saturate...py): update the inner documentation"}},{"before":"2a520f766f90a24bae2d47398119cdb0ace73db6","after":"d12bb558dcb6637c739148b993b4ed3fe8944fd9","ref":"refs/heads/master","pushedAt":"2023-05-24T08:45:51.919Z","pushType":"force_push","commitsCount":0,"pusher":{"login":"nbehrnd","name":null,"path":"/nbehrnd","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/19709084?s=80&v=4"},"commit":{"message":"improve the script I/O with the command line\n\nThe script now accepts SMILES strings issued (in quotes) via\nthe command line and equally defaults its output to be sent\nto the command line.  The creation of a permanent record was\naltered and became instead an option.","shortMessageHtmlLink":"improve the script I/O with the command line"}},{"before":"9561d6c8d1925af2366d1a56c1daaf8cd8924145","after":"d020584f97a19f4b39ff63b8fb2b62d822d2fb55","ref":"refs/heads/saturate04","pushedAt":"2023-05-24T08:45:26.092Z","pushType":"push","commitsCount":2,"pusher":{"login":"nbehrnd","name":null,"path":"/nbehrnd","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/19709084?s=80&v=4"},"commit":{"message":"update the documentation","shortMessageHtmlLink":"update the documentation"}},{"before":"28825fccc96fada13abe7a33050af7aea061329f","after":"2a520f766f90a24bae2d47398119cdb0ace73db6","ref":"refs/heads/master","pushedAt":"2023-05-23T19:48:27.090Z","pushType":"push","commitsCount":2,"pusher":{"login":"nbehrnd","name":null,"path":"/nbehrnd","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/19709084?s=80&v=4"},"commit":{"message":"improve the scripts interaction with the command line\n\nThe script now accepts SMILES strings issued (in quotes) via the\ncommand line and equally defaults its output to the command line.\nOutput into a permanent record still is possible, yet seems better\noff as an option.","shortMessageHtmlLink":"improve the scripts interaction with the command line"}},{"before":null,"after":"9561d6c8d1925af2366d1a56c1daaf8cd8924145","ref":"refs/heads/saturate04","pushedAt":"2023-05-23T19:48:03.976Z","pushType":"branch_creation","commitsCount":0,"pusher":{"login":"nbehrnd","name":null,"path":"/nbehrnd","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/19709084?s=80&v=4"},"commit":{"message":"improve I/O with the command line\n\nIt is advantageous if the input/output of the script defaults to\nthe command line, and creation of a permanent record becomes an\noption.  The script was altered; the (now more uniform) tests by\npytest extended.","shortMessageHtmlLink":"improve I/O with the command line"}},{"before":"c5a51d3ee44469b567153ae6394f7455f9a6f16b","after":"28825fccc96fada13abe7a33050af7aea061329f","ref":"refs/heads/master","pushedAt":"2023-05-08T11:18:28.000Z","pushType":"push","commitsCount":7,"pusher":{"login":"nbehrnd","name":null,"path":"/nbehrnd","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/19709084?s=80&v=4"},"commit":{"message":"include saturation around P, update documentation\n\nBecause GitHub has difficulties with orgmode footnootes, the\ndocumentation now equally is exported as (GFM) markdown.","shortMessageHtmlLink":"include saturation around P, update documentation"}},{"before":null,"after":"5b48628d1d657631d85f573cf84055aabe7a16e7","ref":"refs/heads/saturate03","pushedAt":"2023-05-08T11:12:02.000Z","pushType":"branch_creation","commitsCount":0,"pusher":{"login":"nbehrnd","name":null,"path":"/nbehrnd","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/19709084?s=80&v=4"},"commit":{"message":"update the documentation (incl .md file)\n\nThe documentation was updated.  Because the README includes some\nliterature references, the master .org file equally is exported\nas gfm .md file.","shortMessageHtmlLink":"update the documentation (incl .md file)"}},{"before":"8b39fb3787d0c6a6f9934fadd0054e88001cba93","after":"c5a51d3ee44469b567153ae6394f7455f9a6f16b","ref":"refs/heads/master","pushedAt":"2023-05-07T18:37:10.000Z","pushType":"push","commitsCount":6,"pusher":{"login":"nbehrnd","name":null,"path":"/nbehrnd","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/19709084?s=80&v=4"},"commit":{"message":"rewrite saturatation (more regex-like approach)\n\nThe main purpose to rewrite sections of the script is to\nallow multiple occurences of elements enclosed in square\nbrackets.","shortMessageHtmlLink":"rewrite saturatation (more regex-like approach)"}},{"before":null,"after":"a2a63edd2c2065f42e681aed041eb5c24e0b8c6e","ref":"refs/heads/saturate02","pushedAt":"2023-05-07T18:36:49.000Z","pushType":"branch_creation","commitsCount":0,"pusher":{"login":"nbehrnd","name":null,"path":"/nbehrnd","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/19709084?s=80&v=4"},"commit":{"message":"correct error in test script\n\nThe test script anticipated a wrong output.","shortMessageHtmlLink":"correct error in test script"}},{"before":null,"after":"e6041b1aaa6e58561f23cd9717bcb77791d6d3c8","ref":"refs/heads/update_tests","pushedAt":"2023-05-07T18:36:19.000Z","pushType":"branch_creation","commitsCount":0,"pusher":{"login":"nbehrnd","name":null,"path":"/nbehrnd","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/19709084?s=80&v=4"},"commit":{"message":"adjust file I/O to Python 3 standard\n\nRunning pylint 2.16.2 for Python 3.11.2 on test.py now suggests\nan explicit definition of the encoding of intermediate test files\nwritten, or read.","shortMessageHtmlLink":"adjust file I/O to Python 3 standard"}},{"before":"242e3475fef2a6e2d4b1ea8cd26fb33f0fec9c58","after":"8b39fb3787d0c6a6f9934fadd0054e88001cba93","ref":"refs/heads/master","pushedAt":"2023-05-05T16:03:07.000Z","pushType":"push","commitsCount":1,"pusher":{"login":"nbehrnd","name":null,"path":"/nbehrnd","primaryAvatarUrl":"https://avatars.githubusercontent.com/u/19709084?s=80&v=4"},"commit":{"message":"replace indentation spaces by tabulator\n\nAn erroneous setup of the editor expressed the indentation in the\nMakefile by four explicit spaces rather than one tabulator.","shortMessageHtmlLink":"replace indentation spaces by tabulator"}}],"hasNextPage":false,"hasPreviousPage":false,"activityType":"all","actor":null,"timePeriod":"all","sort":"DESC","perPage":30,"cursor":"djE6ks8AAAAEIJYj1AA","startCursor":null,"endCursor":null}},"title":"Activity · nbehrnd/datawarrior_saturate_Murcko_scaffolds"}