{"action":"created","issue":{"url":"https://api.github.com/repos/rajarshi/cdkr/issues/61","repository_url":"https://api.github.com/repos/rajarshi/cdkr","labels_url":"https://api.github.com/repos/rajarshi/cdkr/issues/61/labels{/name}","comments_url":"https://api.github.com/repos/rajarshi/cdkr/issues/61/comments","events_url":"https://api.github.com/repos/rajarshi/cdkr/issues/61/events","html_url":"https://github.com/rajarshi/cdkr/issues/61","id":282462384,"number":61,"title":"Error in molecule visualization after rcdk 3.4.5 update","user":{"login":"Tebatu","id":14292093,"avatar_url":"https://avatars2.githubusercontent.com/u/14292093?v=4","gravatar_id":"","url":"https://api.github.com/users/Tebatu","html_url":"https://github.com/Tebatu","followers_url":"https://api.github.com/users/Tebatu/followers","following_url":"https://api.github.com/users/Tebatu/following{/other_user}","gists_url":"https://api.github.com/users/Tebatu/gists{/gist_id}","starred_url":"https://api.github.com/users/Tebatu/starred{/owner}{/repo}","subscriptions_url":"https://api.github.com/users/Tebatu/subscriptions","organizations_url":"https://api.github.com/users/Tebatu/orgs","repos_url":"https://api.github.com/users/Tebatu/repos","events_url":"https://api.github.com/users/Tebatu/events{/privacy}","received_events_url":"https://api.github.com/users/Tebatu/received_events","type":"User","site_admin":false},"labels":[],"state":"open","locked":false,"assignee":null,"assignees":[],"milestone":null,"comments":0,"created_at":"2017-12-15T15:30:12Z","updated_at":"2017-12-15T15:37:25Z","closed_at":null,"author_association":"NONE","body":"Hi, \r\nI updated rcdk today to the newest version and the functionality of `view.molecule.2d()` broke down. I tried to execute the chunk from the vignette and get the following error:\r\n\r\n```\r\nlibrary(rcdk)\r\nLoading required package: rcdklibs\r\nLoading required package: rJava\r\nsmiles <- c('CCC', 'CCN', 'CCN(C)(C)',\r\n 'c1ccccc1Cc1ccccc1','C1CCC1CC(CN(C)(C))CC(=O)CC')\r\nmols <- parse.smiles(smiles)\r\nview.molecule.2d(mols[[1]])\r\nError in .jnew(\"org/guha/rcdk/view/ViewMolecule2D\", molecule, as.integer(width),  : \r\n  java.lang.NoSuchMethodError: <init>\r\n\r\nR version 3.4.3 (2017-11-30)\r\nPlatform: x86_64-w64-mingw32/x64 (64-bit)\r\nRunning under: Windows 7 x64 (build 7601) Service Pack 1\r\n\r\nMatrix products: default\r\n\r\nlocale:\r\n[1] LC_COLLATE=English_United Kingdom.1252  LC_CTYPE=English_United Kingdom.1252   \r\n[3] LC_MONETARY=English_United Kingdom.1252 LC_NUMERIC=C                           \r\n[5] LC_TIME=English_United Kingdom.1252    \r\n\r\nattached base packages:\r\n[1] stats     graphics  grDevices utils     datasets  methods   base     \r\n\r\nother attached packages:\r\n[1] rcdk_3.4.5   rcdklibs_2.0 rJava_0.9-9 \r\n\r\nloaded via a namespace (and not attached):\r\n[1] compiler_3.4.3    parallel_3.4.3    fingerprint_3.5.6 tools_3.4.3       iterators_1.0.9  \r\n[6] itertools_0.1-3   png_0.1-7    \r\n```\r\nMy Java build is `(build 1.8.0_151-b12)`"},"comment":{"url":"https://api.github.com/repos/rajarshi/cdkr/issues/comments/352035906","html_url":"https://github.com/rajarshi/cdkr/issues/61#issuecomment-352035906","issue_url":"https://api.github.com/repos/rajarshi/cdkr/issues/61","id":352035906,"user":{"login":"schymane","id":4070141,"avatar_url":"https://avatars2.githubusercontent.com/u/4070141?v=4","gravatar_id":"","url":"https://api.github.com/users/schymane","html_url":"https://github.com/schymane","followers_url":"https://api.github.com/users/schymane/followers","following_url":"https://api.github.com/users/schymane/following{/other_user}","gists_url":"https://api.github.com/users/schymane/gists{/gist_id}","starred_url":"https://api.github.com/users/schymane/starred{/owner}{/repo}","subscriptions_url":"https://api.github.com/users/schymane/subscriptions","organizations_url":"https://api.github.com/users/schymane/orgs","repos_url":"https://api.github.com/users/schymane/repos","events_url":"https://api.github.com/users/schymane/events{/privacy}","received_events_url":"https://api.github.com/users/schymane/received_events","type":"User","site_admin":false},"created_at":"2017-12-15T15:37:24Z","updated_at":"2017-12-15T15:37:24Z","author_association":"CONTRIBUTOR","body":"Did you try looking at the examples in the function documentation? The functionality upgraded a while back and it's not compatible with older rcdk versions (but the new features are cool!), the examples were updated (I never looked at the vignette to see there)\n\n\n\nOn Fri, Dec 15, 2017 at 4:29 PM +0100, \"Tebatu\" <notifications@github.com<mailto:notifications@github.com>> wrote:\n\n\nHi,\nI updated rcdk today to the newest version and the functionality of view.molecule.2d() broke down. I tried to execute the chunk from the vignette and get the following error:\n\nlibrary(rcdk)\nLoading required package: rcdklibs\nLoading required package: rJava\nsmiles <- c('CCC', 'CCN', 'CCN(C)(C)',\n 'c1ccccc1Cc1ccccc1','C1CCC1CC(CN(C)(C))CC(=O)CC')\nmols <- parse.smiles(smiles)\nview.molecule.2d(mols[[1]])\nError in .jnew(\"org/guha/rcdk/view/ViewMolecule2D\", molecule, as.integer(width),  :\n  java.lang.NoSuchMethodError: <init>\n\nR version 3.4.3 (2017-11-30)\nPlatform: x86_64-w64-mingw32/x64 (64-bit)\nRunning under: Windows 7 x64 (build 7601) Service Pack 1\n\nMatrix products: default\n\nlocale:\n[1] LC_COLLATE=English_United Kingdom.1252  LC_CTYPE=English_United Kingdom.1252\n[3] LC_MONETARY=English_United Kingdom.1252 LC_NUMERIC=C\n[5] LC_TIME=English_United Kingdom.1252\n\nattached base packages:\n[1] stats     graphics  grDevices utils     datasets  methods   base\n\nother attached packages:\n[1] rcdk_3.4.5   rcdklibs_2.0 rJava_0.9-9\n\nloaded via a namespace (and not attached):\n[1] compiler_3.4.3    parallel_3.4.3    fingerprint_3.5.6 tools_3.4.3       iterators_1.0.9\n[6] itertools_0.1-3   png_0.1-7\n\n\nMy Java build is (build 1.8.0_151-b12)\n\n—\nYou are receiving this because you are subscribed to this thread.\nReply to this email directly, view it on GitHub<https://github.com/rajarshi/cdkr/issues/61>, or mute the thread<https://github.com/notifications/unsubscribe-auth/AD4a_VFDibOPtR-6VqvF76qSBPZI0xXjks5tApCFgaJpZM4RDob5>.\n"}}
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